smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)c1cccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c1 ZINC001602712547 971357501 /nfs/dbraw/zinc/35/75/01/971357501.db2.gz TZAREDCGBITJOQ-AWEZNQCLSA-N -1 0 304.390 3.588 20 30 DHEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001602718665 971376376 /nfs/dbraw/zinc/37/63/76/971376376.db2.gz REEKSGMXAFQFRK-GDBMZVCRSA-N -1 0 316.401 3.570 20 30 DHEDRM CCCCCCCCNC(=O)NCc1ccccc1C(=O)[O-] ZINC001589645305 949722167 /nfs/dbraw/zinc/72/21/67/949722167.db2.gz USANJCJWIKZCGI-UHFFFAOYSA-N -1 0 306.406 3.545 20 30 DHEDRM CCCCCCCNC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001589645394 949725503 /nfs/dbraw/zinc/72/55/03/949725503.db2.gz ZGEOOYVDKABKDW-JKSUJKDBSA-N -1 0 318.417 3.569 20 30 DHEDRM CCCCCCCCNC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000388079218 951326596 /nfs/dbraw/zinc/32/65/96/951326596.db2.gz BDEYJDWJYNKQQQ-UHFFFAOYSA-N -1 0 312.454 3.633 20 30 DHEDRM N#CCCC[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001594608916 956188245 /nfs/dbraw/zinc/18/82/45/956188245.db2.gz FUYCCKOUXPUNTD-QGZVFWFLSA-N -1 0 322.364 3.550 20 30 DHEDRM C=CCCCN(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001588459963 958471273 /nfs/dbraw/zinc/47/12/73/958471273.db2.gz NNXDOFKKSVPGSI-UHFFFAOYSA-N -1 0 314.744 3.607 20 30 DHEDRM C=CCCc1ccccc1NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001588460423 958474372 /nfs/dbraw/zinc/47/43/72/958474372.db2.gz GLJPCKYBYZLQSH-MRXNPFEDSA-N -1 0 301.386 3.635 20 30 DHEDRM CCCCCCC[C@H](C)CNC(=O)c1ccc(C(=O)[O-])nc1 ZINC001573841727 961088643 /nfs/dbraw/zinc/08/86/43/961088643.db2.gz YQVAGSQTPWOPMT-ZDUSSCGKSA-N -1 0 306.406 3.506 20 30 DHEDRM Cc1cccc(C(=O)[O-])c1NC(=O)C[C@H](CC#N)c1ccccc1 ZINC001574389026 961152850 /nfs/dbraw/zinc/15/28/50/961152850.db2.gz IOELVZPCWBAGMN-HNNXBMFYSA-N -1 0 322.364 3.719 20 30 DHEDRM C#C[C@H]1CCCCN1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001573303116 962670364 /nfs/dbraw/zinc/67/03/64/962670364.db2.gz VFNVSOMFAZEEFG-HNNXBMFYSA-N -1 0 322.364 3.558 20 30 DHEDRM C#CCC1(C(=O)Oc2cc(C(=O)[O-])cc(F)c2C)CCCCC1 ZINC001573303183 962672016 /nfs/dbraw/zinc/67/20/16/962672016.db2.gz LFEULSLLISPQJM-UHFFFAOYSA-N -1 0 318.344 3.712 20 30 DHEDRM C#CCN(Cc1ccc(F)cc1)[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001573311859 962715676 /nfs/dbraw/zinc/71/56/76/962715676.db2.gz ZNOTUSNDVKZTKX-CYBMUJFWSA-N -1 0 315.344 3.622 20 30 DHEDRM C=C(C)C[C@@H](NC(=O)/C=C(/CC)c1cccc(Cl)c1)C(=O)[O-] ZINC001573322016 962763631 /nfs/dbraw/zinc/76/36/31/962763631.db2.gz TUCHKOWHZFFJPM-KUGGDMIFSA-N -1 0 321.804 3.669 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 ZINC001573332809 962841992 /nfs/dbraw/zinc/84/19/92/962841992.db2.gz SDKHWHCLFNIMFG-CQSZACIVSA-N -1 0 301.386 3.584 20 30 DHEDRM C=C1CCC(CNc2ncc(C(=O)[O-])cc2C(F)(F)F)CC1 ZINC001573343529 962906237 /nfs/dbraw/zinc/90/62/37/962906237.db2.gz GWZLWCBOGUJJBS-UHFFFAOYSA-N -1 0 314.307 3.957 20 30 DHEDRM C=CC1(CC(=O)NCc2ccc(C(=O)[O-])s2)CCCCC1 ZINC001573351481 962978460 /nfs/dbraw/zinc/97/84/60/962978460.db2.gz UOPZOORYUUGYDN-UHFFFAOYSA-N -1 0 307.415 3.589 20 30 DHEDRM C=CCC1(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)CCCC1 ZINC001573353433 963001172 /nfs/dbraw/zinc/00/11/72/963001172.db2.gz VFMYJZICDKPMEY-UHFFFAOYSA-N -1 0 320.414 3.794 20 30 DHEDRM C=CCCC[C@@H](NC(=O)c1ccc(C)c2ccccc12)C(=O)[O-] ZINC001573364627 963049888 /nfs/dbraw/zinc/04/98/88/963049888.db2.gz AAQZPTQMXZKZTC-QGZVFWFLSA-N -1 0 311.381 3.688 20 30 DHEDRM C=CCCC[C@H](NC(=O)c1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC001573364842 963050673 /nfs/dbraw/zinc/05/06/73/963050673.db2.gz CQSUDWWJYRSYFL-NSHDSACASA-N -1 0 309.431 3.585 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2cncnc2C(C)C)n1 ZINC000353893275 1013499899 /nfs/dbraw/zinc/49/98/99/1013499899.db2.gz TXETUCSDHPLRHY-NSHDSACASA-N -1 0 314.414 3.670 20 30 DHEDRM COc1cc(C#N)cc(Br)c1O[C@H](C)C1=CC=C[CH]1 ZINC001226175893 1013521373 /nfs/dbraw/zinc/52/13/73/1013521373.db2.gz NJUHIWJNKJPYTE-SNVBAGLBSA-N -1 0 319.178 3.797 20 30 DHEDRM Cc1ccc(C(=O)/C=C\c2cccc(O[C@H](C)C(=O)[O-])c2)s1 ZINC000255061573 1013601453 /nfs/dbraw/zinc/60/14/53/1013601453.db2.gz NPQCSTDOADZTSD-QDZRJHCZSA-N -1 0 316.378 3.805 20 30 DHEDRM C[C@@H](C#N)Oc1ccc(/C=C\C(=O)c2cc(F)ccc2[O-])cc1 ZINC000255113995 1013735101 /nfs/dbraw/zinc/73/51/01/1013735101.db2.gz OYTWZLPZJXDIPQ-LDJOOVGUSA-N -1 0 311.312 3.718 20 30 DHEDRM Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000048576882 1013853450 /nfs/dbraw/zinc/85/34/50/1013853450.db2.gz DKUPGHNMTVJNLF-UHFFFAOYSA-N -1 0 323.801 3.536 20 30 DHEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C)C2)cc1C ZINC000076757884 1013854414 /nfs/dbraw/zinc/85/44/14/1013854414.db2.gz SNCJHWIIGKHGCC-SMDDNHRTSA-N -1 0 309.431 3.775 20 30 DHEDRM C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000076766660 1013854496 /nfs/dbraw/zinc/85/44/96/1013854496.db2.gz IJFIUDHJSLBQJT-SWLSCSKDSA-N -1 0 321.442 3.647 20 30 DHEDRM C=CC[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CCCC1(C)C ZINC000331308896 1013873394 /nfs/dbraw/zinc/87/33/94/1013873394.db2.gz XOWSYKSZEMEOPX-HNNXBMFYSA-N -1 0 318.373 3.507 20 30 DHEDRM Cc1ccc(C#N)cc1Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001210505451 1013891321 /nfs/dbraw/zinc/89/13/21/1013891321.db2.gz NHSRJBROGBICCN-UHFFFAOYSA-N -1 0 322.773 3.510 20 30 DHEDRM CC1(C)C(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)C1(C)C ZINC000080250698 1013910822 /nfs/dbraw/zinc/91/08/22/1013910822.db2.gz ZKVLOLZXNYFAQJ-UHFFFAOYSA-N -1 0 321.851 3.729 20 30 DHEDRM C=CCOc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000319775225 970570955 /nfs/dbraw/zinc/57/09/55/970570955.db2.gz AQWKWKUSYRNPLJ-UHFFFAOYSA-N -1 0 311.337 3.510 20 30 DHEDRM CC1(C)c2ccccc2C(=O)/C1=C\c1ccc([N+](=O)[O-])c([O-])c1 ZINC000748148541 1014034923 /nfs/dbraw/zinc/03/49/23/1014034923.db2.gz TUGZASQPKNXAQI-NTEUORMPSA-N -1 0 309.321 3.858 20 30 DHEDRM Cc1c(Cl)cnc(Oc2cc(C(=O)[O-])ccc2F)c1C#N ZINC001605081988 972721169 /nfs/dbraw/zinc/72/11/69/972721169.db2.gz SCCQIEFXZCUNPQ-UHFFFAOYSA-N -1 0 306.680 3.545 20 30 DHEDRM C=C(C)C[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000621565217 975032223 /nfs/dbraw/zinc/03/22/23/975032223.db2.gz JRTOMRDEIWLGMG-VIFPVBQESA-N -1 0 313.300 3.527 20 30 DHEDRM CC(C)c1ccc2c(c1)C(=O)/C(=C/c1ccoc1C(=O)[O-])CO2 ZINC001591974358 976587539 /nfs/dbraw/zinc/58/75/39/976587539.db2.gz VGVFISRQBUBJMS-NTUHNPAUSA-N -1 0 312.321 3.760 20 30 DHEDRM CC(CC(C)(C)CC(=O)[O-])N=Nc1ccc(C(F)(F)F)cn1 ZINC001592444985 978107685 /nfs/dbraw/zinc/10/76/85/978107685.db2.gz UHIASIIREIYJAV-UHFFFAOYSA-N -1 0 317.311 3.779 20 30 DHEDRM O=C([O-])c1cccc(/C=C2\CSc3ccc(F)cc3C2=O)c1 ZINC000765823514 978723881 /nfs/dbraw/zinc/72/38/81/978723881.db2.gz FWNRSQJQWASREZ-KPKJPENVSA-N -1 0 314.337 3.896 20 30 DHEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(O)c(Cl)c1 ZINC000768763411 978738820 /nfs/dbraw/zinc/73/88/20/978738820.db2.gz GBLPJERACIYWGL-UHFFFAOYSA-N -1 0 304.733 3.580 20 30 DHEDRM COc1cccc2c1CC/C(=C\c1cccc(C(=O)[O-])c1)C2=O ZINC000799502381 978841483 /nfs/dbraw/zinc/84/14/83/978841483.db2.gz KFZJAKHYSSPLSZ-JLHYYAGUSA-N -1 0 308.333 3.606 20 30 DHEDRM CC(N=Nc1ncnc2sccc21)[C@@H](C)CCCCC(=O)[O-] ZINC000814767765 978883038 /nfs/dbraw/zinc/88/30/38/978883038.db2.gz TZDGOPNUMONGQK-JTQLQIEISA-N -1 0 320.418 3.760 20 30 DHEDRM C[C@@H]1C(N=Nc2nccc3sccc32)CC[C@H]1CC(=O)[O-] ZINC000814809248 978887705 /nfs/dbraw/zinc/88/77/05/978887705.db2.gz TXTVCDKCDKLBQT-UWVGGRQHSA-N -1 0 303.387 3.585 20 30 DHEDRM O=C([O-])c1ccc(NN=Cc2cnc(C3CCC3)s2)cc1F ZINC000835010108 979244309 /nfs/dbraw/zinc/24/43/09/979244309.db2.gz OMGBHLLBHKCRMX-UHFFFAOYSA-N -1 0 319.361 3.694 20 30 DHEDRM C[C@@H](Nc1ccc(C[C@H](C)C(=O)[O-])cc1)c1cccc(C#N)c1 ZINC001592877023 979742711 /nfs/dbraw/zinc/74/27/11/979742711.db2.gz GVUDXLKCNQJYFO-UONOGXRCSA-N -1 0 308.381 3.995 20 30 DHEDRM C[C@H](Cc1ccc(Nc2ncc(C#N)cc2Cl)cc1)C(=O)[O-] ZINC001592883140 979757183 /nfs/dbraw/zinc/75/71/83/979757183.db2.gz MYUMOUCIBAAOEZ-SNVBAGLBSA-N -1 0 315.760 3.613 20 30 DHEDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1cc(C#N)cs1 ZINC001595360017 980747156 /nfs/dbraw/zinc/74/71/56/980747156.db2.gz AMENUBSGALMSAK-INIZCTEOSA-N -1 0 314.410 3.658 20 30 DHEDRM C=C[C@H](CC)CC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000907588551 981197969 /nfs/dbraw/zinc/19/79/69/981197969.db2.gz LYWMIBSIILUZST-CYBMUJFWSA-N -1 0 321.442 3.935 20 30 DHEDRM C=C[C@H](CC)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000907608278 981199407 /nfs/dbraw/zinc/19/94/07/981199407.db2.gz FCOQIBOAMMMXRA-RISCZKNCSA-N -1 0 309.793 3.574 20 30 DHEDRM C=C1CCC(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000909361303 981472131 /nfs/dbraw/zinc/47/21/31/981472131.db2.gz KWLYIKCWWVSNRK-HNNXBMFYSA-N -1 0 321.804 3.718 20 30 DHEDRM C=CCCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000910916504 982163301 /nfs/dbraw/zinc/16/33/01/982163301.db2.gz WUSABTOGHZPJMR-LBPRGKRZSA-N -1 0 316.184 3.533 20 30 DHEDRM CCCCCCCC(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595704612 982277216 /nfs/dbraw/zinc/27/72/16/982277216.db2.gz DCENFMWHPCQISS-UHFFFAOYSA-N -1 0 309.318 3.559 20 30 DHEDRM CCCCCCC[C@H](C)CNC(=O)c1cc(C(=O)[O-])ccn1 ZINC001595705331 982284550 /nfs/dbraw/zinc/28/45/50/982284550.db2.gz WDSORWMSBJXQHR-ZDUSSCGKSA-N -1 0 306.406 3.506 20 30 DHEDRM CC(C)(C#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843568394 1014896976 /nfs/dbraw/zinc/89/69/76/1014896976.db2.gz ZKSFAJPZEKXKOZ-UHFFFAOYSA-N -1 0 307.127 3.504 20 30 DHEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000443423821 1014910953 /nfs/dbraw/zinc/91/09/53/1014910953.db2.gz SAFAOAABCPUHMD-UHFFFAOYSA-N -1 0 323.364 3.884 20 30 DHEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccccc1OC ZINC000443424715 1014910998 /nfs/dbraw/zinc/91/09/98/1014910998.db2.gz WBXDAPAFJDXKBG-UHFFFAOYSA-N -1 0 317.410 3.615 20 30 DHEDRM CCCOc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001595952176 983126715 /nfs/dbraw/zinc/12/67/15/983126715.db2.gz CEAQYUBQGPWEBF-VQHVLOKHSA-N -1 0 300.310 3.663 20 30 DHEDRM C#CCC1(NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)CCCCC1 ZINC001588427522 983456257 /nfs/dbraw/zinc/45/62/57/983456257.db2.gz ARVQDBWZEDWVLP-UHFFFAOYSA-N -1 0 314.385 3.541 20 30 DHEDRM C=C(C)C[C@H](C)C(=O)N(CC(=O)[O-])[C@H](CC)c1ccccc1 ZINC001588535273 983588547 /nfs/dbraw/zinc/58/85/47/983588547.db2.gz GQJWEYYNVUSFOR-GOEBONIOSA-N -1 0 303.402 3.653 20 30 DHEDRM C=C(C)C[C@@H](NC(=O)c1csc(C2CCCCC2)c1)C(=O)[O-] ZINC001588548668 983624909 /nfs/dbraw/zinc/62/49/09/983624909.db2.gz SHDFAJWEJRHPNS-CQSZACIVSA-N -1 0 321.442 3.945 20 30 DHEDRM C=C(CC)CN(C)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001588605401 983692825 /nfs/dbraw/zinc/69/28/25/983692825.db2.gz CYTMXTVOMPBICL-NSHDSACASA-N -1 0 318.236 3.534 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC001588614997 983709368 /nfs/dbraw/zinc/70/93/68/983709368.db2.gz HBJMINAFZJMQAE-OAHLLOKOSA-N -1 0 321.804 3.815 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC001588622206 983722609 /nfs/dbraw/zinc/72/26/09/983722609.db2.gz RFKOEZFRMHWJHS-QGZVFWFLSA-N -1 0 319.376 3.594 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)NCC(C)(C)CCCc1ccccc1 ZINC001588622648 983724515 /nfs/dbraw/zinc/72/45/15/983724515.db2.gz BBKUWRKMXLTLCR-UHFFFAOYSA-N -1 0 317.429 3.573 20 30 DHEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001588644335 983769429 /nfs/dbraw/zinc/76/94/29/983769429.db2.gz PXJOVEFTDIWWIA-TXEJJXNPSA-N -1 0 318.348 3.547 20 30 DHEDRM C=C[C@H](C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC001588664297 983799656 /nfs/dbraw/zinc/79/96/56/983799656.db2.gz PHTQETSFCYJDCQ-KSSFIOAISA-N -1 0 323.392 3.858 20 30 DHEDRM C=C[C@@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1C)c1ccccc1 ZINC001588664436 983800047 /nfs/dbraw/zinc/80/00/47/983800047.db2.gz QAFWHBXQVYFRSR-CYBMUJFWSA-N -1 0 313.328 3.741 20 30 DHEDRM C=CC(C)(C)CCCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001588673093 983828486 /nfs/dbraw/zinc/82/84/86/983828486.db2.gz INUGMSACGXVNOU-UHFFFAOYSA-N -1 0 308.353 3.638 20 30 DHEDRM C=CC(C)(C)CCCNC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588673204 983828883 /nfs/dbraw/zinc/82/88/83/983828883.db2.gz MLKVKWOZFZELEN-AWEZNQCLSA-N -1 0 324.465 3.511 20 30 DHEDRM C=C[C@H](CC)CC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001588692821 983887053 /nfs/dbraw/zinc/88/70/53/983887053.db2.gz KGGFIHIBWJAPCF-GFCCVEGCSA-N -1 0 307.415 3.794 20 30 DHEDRM C=C[C@@H]1CCCCN1c1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC001588719020 983958409 /nfs/dbraw/zinc/95/84/09/983958409.db2.gz JAMZZMWZSFITHZ-LLVKDONJSA-N -1 0 317.414 3.551 20 30 DHEDRM C=CCC(F)(F)C(=O)Nc1c(C(=O)[O-])ccc2ccccc21 ZINC001588743479 984037762 /nfs/dbraw/zinc/03/77/62/984037762.db2.gz YBZPKHUVGIDUBK-UHFFFAOYSA-N -1 0 305.280 3.688 20 30 DHEDRM C=CCC1(C(=O)Nc2nc(CCCC(=O)[O-])cs2)CCCC1 ZINC001588764807 984123519 /nfs/dbraw/zinc/12/35/19/984123519.db2.gz JVWOISSNNPAKMP-UHFFFAOYSA-N -1 0 322.430 3.625 20 30 DHEDRM C=CCC1(NC(=O)Nc2cc(C(=O)[O-])ccc2F)CCCC1 ZINC001588767289 984129439 /nfs/dbraw/zinc/12/94/39/984129439.db2.gz SHNFMZPHJPFDEW-UHFFFAOYSA-N -1 0 306.337 3.534 20 30 DHEDRM C=CCC1(NC(=O)Nc2ccc(C(=O)[O-])cc2F)CCCC1 ZINC001588767379 984130519 /nfs/dbraw/zinc/13/05/19/984130519.db2.gz YKNCRQNNTWICPT-UHFFFAOYSA-N -1 0 306.337 3.534 20 30 DHEDRM C=CC[C@H]1N(C(=O)Cc2ccc(C(=O)[O-])cc2)CCCC1(C)C ZINC001588772948 984145825 /nfs/dbraw/zinc/14/58/25/984145825.db2.gz RGJHMBUJWCHBMT-MRXNPFEDSA-N -1 0 315.413 3.521 20 30 DHEDRM C=CCC[C@H](C(=O)Nc1cnc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC001588776798 984153621 /nfs/dbraw/zinc/15/36/21/984153621.db2.gz HDDHLVYIJRUIDD-INIZCTEOSA-N -1 0 324.380 3.777 20 30 DHEDRM C=CCC[C@H]1CCCN1C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001588781522 984166490 /nfs/dbraw/zinc/16/64/90/984166490.db2.gz ASZZRHCXRTWAQQ-HNNXBMFYSA-N -1 0 302.374 3.656 20 30 DHEDRM C=CCCCC(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001588781849 984168598 /nfs/dbraw/zinc/16/85/98/984168598.db2.gz JUMCAZGLXJVVQK-INIZCTEOSA-N -1 0 309.793 3.502 20 30 DHEDRM C=CCCC[C@@H](NC(=O)/C(C)=C\c1ccc(Cl)cc1)C(=O)[O-] ZINC001588784709 984177593 /nfs/dbraw/zinc/17/75/93/984177593.db2.gz AHFHAAIJKNCXFS-QYMJWVLRSA-N -1 0 321.804 3.669 20 30 DHEDRM C=CCCC[C@H](NC(=O)C[C@@H](c1ccccc1)C(C)C)C(=O)[O-] ZINC001588789955 984203043 /nfs/dbraw/zinc/20/30/43/984203043.db2.gz NTTMNEXKBVOQFR-SJORKVTESA-N -1 0 317.429 3.742 20 30 DHEDRM C=CCCC[C@@H](NC(=O)c1cc2cc(C)c(C)cc2o1)C(=O)[O-] ZINC001588792797 984213013 /nfs/dbraw/zinc/21/30/13/984213013.db2.gz NRTHDQCFAPJXBS-CQSZACIVSA-N -1 0 315.369 3.589 20 30 DHEDRM C=CCCc1ccccc1NCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001588817906 984278064 /nfs/dbraw/zinc/27/80/64/984278064.db2.gz XXXLPHRIHYXVFT-UHFFFAOYSA-N -1 0 324.380 3.554 20 30 DHEDRM C=CCN(Cc1ccc(Cl)s1)Cc1occc1C(=O)[O-] ZINC001588829170 984312390 /nfs/dbraw/zinc/31/23/90/984312390.db2.gz GQRMWUIRJWVCEU-UHFFFAOYSA-N -1 0 311.790 3.881 20 30 DHEDRM C=CCc1cccc(C(C)C)c1NC(=O)NCC(C)(C)C(=O)[O-] ZINC001588886865 984474229 /nfs/dbraw/zinc/47/42/29/984474229.db2.gz SYOVOHIBJGFMKO-UHFFFAOYSA-N -1 0 318.417 3.771 20 30 DHEDRM CC(=[NH+][N-]c1ccc(C(=O)[O-])c(Cl)c1)c1cc(N)ccc1F ZINC001589016770 984997680 /nfs/dbraw/zinc/99/76/80/984997680.db2.gz HHBJZYRTDYFCKW-UHFFFAOYSA-N -1 0 321.739 3.596 20 30 DHEDRM C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)CC2CCCCC2)C1 ZINC000076905708 1015155184 /nfs/dbraw/zinc/15/51/84/1015155184.db2.gz JPUFBENVVZSWHO-JSGCOSHPSA-N -1 0 301.452 3.679 20 30 DHEDRM Cc1c(C(=O)/C=C/c2csc(C(=O)[O-])c2)cnn1C(C)(C)C ZINC001599974864 986073654 /nfs/dbraw/zinc/07/36/54/986073654.db2.gz LKPSZVWBWLTZIH-AATRIKPKSA-N -1 0 318.398 3.602 20 30 DHEDRM N#CC1(CCOC(=O)c2c(F)cc([O-])cc2F)CCCCC1 ZINC000840232167 1015231535 /nfs/dbraw/zinc/23/15/35/1015231535.db2.gz QWTAEWPSDVGUPG-UHFFFAOYSA-N -1 0 309.312 3.691 20 30 DHEDRM C[C@@H]1CSc2ccccc2N1Cc1cccc(C(=O)[O-])c1C#N ZINC001594612785 986613641 /nfs/dbraw/zinc/61/36/41/986613641.db2.gz WSELGYZJGISSCF-GFCCVEGCSA-N -1 0 324.405 3.757 20 30 DHEDRM CCOc1ccc(Cl)cc1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001597105600 986739134 /nfs/dbraw/zinc/73/91/34/986739134.db2.gz GLNOBHJFNJODIC-PLNGDYQASA-N -1 0 320.728 3.926 20 30 DHEDRM CCOc1cccc(C=Nc2cccc(C(=O)[O-])c2Cl)c1O ZINC001597150841 986930875 /nfs/dbraw/zinc/93/08/75/986930875.db2.gz YIEYSUDGLVXVJP-UHFFFAOYSA-N -1 0 319.744 3.893 20 30 DHEDRM CC(C)(C#N)CCSCCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC001589554674 987302296 /nfs/dbraw/zinc/30/22/96/987302296.db2.gz KTVVWBXFQTYOMX-VMPITWQZSA-N -1 0 319.426 3.836 20 30 DHEDRM CCSc1ccccc1OCc1cccc(C(=O)[O-])c1C#N ZINC001597279094 987339144 /nfs/dbraw/zinc/33/91/44/987339144.db2.gz CVBKWXLEWLTOKX-UHFFFAOYSA-N -1 0 313.378 3.947 20 30 DHEDRM CCc1cnccc1C(C)=NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001597633924 988607847 /nfs/dbraw/zinc/60/78/47/988607847.db2.gz HTVSQNABZIIRTG-UHFFFAOYSA-N -1 0 317.776 3.832 20 30 DHEDRM CCc1oc(C=NNc2cccc3ncccc32)cc1C(=O)[O-] ZINC001597793230 989343488 /nfs/dbraw/zinc/34/34/88/989343488.db2.gz WZDJYKCTHYFOIS-UHFFFAOYSA-N -1 0 309.325 3.534 20 30 DHEDRM CCC[C@H](NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12)c1nnn[n-]1 ZINC000329192704 1015657794 /nfs/dbraw/zinc/65/77/94/1015657794.db2.gz SDUUISYBMZMENW-FQUUOJAGSA-N -1 0 305.426 3.604 20 30 DHEDRM Cc1cc([N+](=O)[O-])ccc1/C=C\C(=O)c1csc(C(=O)[O-])c1 ZINC000588450137 1015658238 /nfs/dbraw/zinc/65/82/38/1015658238.db2.gz ZTWRJVSYXWXDTM-HYXAFXHYSA-N -1 0 317.322 3.559 20 30 DHEDRM CC(C)c1occc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000361843388 1032123405 /nfs/dbraw/zinc/12/34/05/1032123405.db2.gz PTSAGSNZAXXMCI-CYBMUJFWSA-N -1 0 305.337 3.836 20 30 DHEDRM CN(Cc1cccc(Cl)c1)Cc1cccc(C(=O)[O-])c1C#N ZINC001598526254 992724554 /nfs/dbraw/zinc/72/45/54/992724554.db2.gz SARTTYUPRJQRAC-UHFFFAOYSA-N -1 0 314.772 3.542 20 30 DHEDRM Oc1c(F)cc(CN=Nc2ncc(Cl)cc2Cl)cc1F ZINC000749854190 1015768399 /nfs/dbraw/zinc/76/83/99/1015768399.db2.gz HJISVTZCOVMGLR-UHFFFAOYSA-N -1 0 318.110 3.818 20 30 DHEDRM COc1cc(Nc2ccc(Cl)c(F)c2C#N)cc(C(=O)[O-])c1 ZINC001213596778 1015774573 /nfs/dbraw/zinc/77/45/73/1015774573.db2.gz JOPWJSYZCIGPJZ-UHFFFAOYSA-N -1 0 320.707 3.801 20 30 DHEDRM C[C@H](Nc1cc(F)c(C(=O)[O-])c(F)c1)c1cccc(C#N)c1 ZINC001593359688 995019604 /nfs/dbraw/zinc/01/96/04/995019604.db2.gz KRLNXTBWIVUKTQ-VIFPVBQESA-N -1 0 302.280 3.708 20 30 DHEDRM C[C@@H](OC(=O)CC1(CC(=O)[O-])CCCC1)c1ccc(C#N)cc1 ZINC001593512937 995519309 /nfs/dbraw/zinc/51/93/09/995519309.db2.gz AUDKCDPFAZBRCK-CYBMUJFWSA-N -1 0 315.369 3.588 20 30 DHEDRM C[C@@H](SCc1nc(C(=O)[O-])cs1)c1cccc(C#N)c1 ZINC001593664027 996048341 /nfs/dbraw/zinc/04/83/41/996048341.db2.gz WTWZNHZSKNABJR-SECBINFHSA-N -1 0 304.396 3.707 20 30 DHEDRM CCCc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)n[nH]1 ZINC000684676651 1016169653 /nfs/dbraw/zinc/16/96/53/1016169653.db2.gz YODHAWVQHUIOGW-NSHDSACASA-N -1 0 316.430 3.606 20 30 DHEDRM C[C@H]1C[C@H](CCNc2ccc(C(=O)[O-])nc2C#N)CC(C)(C)C1 ZINC001594235877 998898444 /nfs/dbraw/zinc/89/84/44/998898444.db2.gz LIVXIIVSKANIIL-STQMWFEESA-N -1 0 315.417 3.916 20 30 DHEDRM N#CC(=C([O-])c1ccoc1C1CC1)c1cnc2ccccc2n1 ZINC000342682602 1017003207 /nfs/dbraw/zinc/00/32/07/1017003207.db2.gz SJXWONHMNUVYPY-CYBMUJFWSA-N -1 0 303.321 3.590 20 30 DHEDRM Cc1ccsc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362175485 1032260506 /nfs/dbraw/zinc/26/05/06/1032260506.db2.gz AKPCRFGLVDSRKK-SNVBAGLBSA-N -1 0 310.300 3.960 20 30 DHEDRM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000169247119 1032275636 /nfs/dbraw/zinc/27/56/36/1032275636.db2.gz VIXPDBKGXFFLKA-UHFFFAOYSA-N -1 0 320.801 3.629 20 30 DHEDRM CC(C)(NC(=O)c1ccc([O-])c(Cl)c1)c1cccc(C#N)c1 ZINC001147111955 1032279598 /nfs/dbraw/zinc/27/95/98/1032279598.db2.gz UOOICDBBOPOZGD-UHFFFAOYSA-N -1 0 314.772 3.582 20 30 DHEDRM CC(C)C[C@](C)(C#N)NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148813821 1032447741 /nfs/dbraw/zinc/44/77/41/1032447741.db2.gz INPHPAOFNAELDJ-CQSZACIVSA-N -1 0 315.200 3.757 20 30 DHEDRM C=CCOc1ccccc1[C@@H](C)Nc1cnc(C(=O)[O-])c(C)c1 ZINC001171376036 1032541718 /nfs/dbraw/zinc/54/17/18/1032541718.db2.gz LMMUUFBJVMDVFO-CYBMUJFWSA-N -1 0 312.369 3.826 20 30 DHEDRM CC(=NOc1ccccc1C(F)(F)F)c1ccc(C(=O)[O-])o1 ZINC000773070299 1032546923 /nfs/dbraw/zinc/54/69/23/1032546923.db2.gz YVTOGFQGGREVFW-UHFFFAOYSA-N -1 0 313.231 3.800 20 30 DHEDRM Cc1cc(C(=O)[N-]S(=O)(=O)CC2CCCCC2)sc1C ZINC000049514190 1011960476 /nfs/dbraw/zinc/96/04/76/1011960476.db2.gz YNQNDMFWMSHQAM-UHFFFAOYSA-N -1 0 315.460 3.580 20 30 DHEDRM CC(C)c1ccsc1C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000049513987 1011961092 /nfs/dbraw/zinc/96/10/92/1011961092.db2.gz NCZDWAVHCPZHCP-UHFFFAOYSA-N -1 0 315.460 3.839 20 30 DHEDRM O=C(/C=C/c1cccc(Cl)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000216639480 1012128440 /nfs/dbraw/zinc/12/84/40/1012128440.db2.gz OBWNJUSFWOSXQL-GQCTYLIASA-N -1 0 303.701 3.850 20 30 DHEDRM CCOc1ccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000021274604 1012243777 /nfs/dbraw/zinc/24/37/77/1012243777.db2.gz TYGTYOCLFXELRQ-YCRREMRBSA-N -1 0 313.309 3.595 20 30 DHEDRM O=C([O-])C(=O)/C(=C\c1cccc(F)c1)c1ccc2ccccc2n1 ZINC000006347040 1012283888 /nfs/dbraw/zinc/28/38/88/1012283888.db2.gz YJYXSYJDAHRZEJ-PTNGSMBKSA-N -1 0 321.307 3.568 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1N=NC[C@H]1C(C)=CCC[C@@H]1C ZINC000773205806 1032634440 /nfs/dbraw/zinc/63/44/40/1032634440.db2.gz ASMZJMCBWVMQJA-JSGCOSHPSA-N -1 0 302.374 3.784 20 30 DHEDRM CCCn1nc(C)c(/C=C\C(=O)c2ccc(F)cc2[O-])c1C ZINC000254975678 1012608200 /nfs/dbraw/zinc/60/82/00/1012608200.db2.gz XQEVJGDQLXXVEL-FPLPWBNLSA-N -1 0 302.349 3.651 20 30 DHEDRM N#Cc1ccc([O-])c(NC(=O)/C=C\c2nc3ccccc3s2)c1 ZINC000255030590 1013026174 /nfs/dbraw/zinc/02/61/74/1013026174.db2.gz ICMHQNSNXASWPF-FPLPWBNLSA-N -1 0 321.361 3.525 20 30 DHEDRM C=CCCC(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000073086696 1017138058 /nfs/dbraw/zinc/13/80/58/1017138058.db2.gz DJHPCDNXGIVDLR-UHFFFAOYSA-N -1 0 308.186 3.605 20 30 DHEDRM N#Cc1cc(F)ccc1-c1ccc2c(c1)CC[C@@]21C[C@@H]1C(=O)[O-] ZINC000563437476 1017169310 /nfs/dbraw/zinc/16/93/10/1017169310.db2.gz KMXQOJPTUWTYPG-IEBWSBKVSA-N -1 0 307.324 3.653 20 30 DHEDRM N#Cc1cc(Nc2ccc([N+](=O)[O-])cc2Cl)c([O-])cc1F ZINC001248612032 1032713086 /nfs/dbraw/zinc/71/30/86/1032713086.db2.gz VXCHKKBDSUWHGS-UHFFFAOYSA-N -1 0 307.668 3.708 20 30 DHEDRM CC(C)n1cc(C(=O)/C=C\c2cccc(C(=O)[O-])c2Cl)cn1 ZINC000588559681 1017875188 /nfs/dbraw/zinc/87/51/88/1017875188.db2.gz BNLJIFBUHKJWPW-SREVYHEPSA-N -1 0 318.760 3.712 20 30 DHEDRM O=C([O-])c1cccc(/C=C2/Cc3cc(O)ccc3C2=O)c1Cl ZINC000588559697 1017877376 /nfs/dbraw/zinc/87/73/76/1017877376.db2.gz XUONGDSANKKLKZ-WDZFZDKYSA-N -1 0 314.724 3.566 20 30 DHEDRM N#CC(=C([O-])c1cccs1)c1nc(-c2ccncc2)cs1 ZINC000114619294 1018106633 /nfs/dbraw/zinc/10/66/33/1018106633.db2.gz MLOCWBLXHWONEB-LLVKDONJSA-N -1 0 311.391 3.757 20 30 DHEDRM COc1nc2ccccc2cc1/C=C\C(=O)c1ccc(O)cc1[O-] ZINC000764107392 1018161583 /nfs/dbraw/zinc/16/15/83/1018161583.db2.gz NEWJEYUPULTLDL-TWGQIWQCSA-N -1 0 321.332 3.551 20 30 DHEDRM CC(=NN=c1[nH]c2ccccc2s1)c1cccc(C(=O)[O-])c1 ZINC000764639265 1018337365 /nfs/dbraw/zinc/33/73/65/1018337365.db2.gz FIDZAADCZVRZNU-UHFFFAOYSA-N -1 0 311.366 3.831 20 30 DHEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000634932028 1018395070 /nfs/dbraw/zinc/39/50/70/1018395070.db2.gz QNFSBPLSZUPBNE-GASCZTMLSA-N -1 0 305.418 3.511 20 30 DHEDRM CC(=O)c1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)o1 ZINC000447611387 1018439018 /nfs/dbraw/zinc/43/90/18/1018439018.db2.gz XXNLJJSTLNDBCX-JTQLQIEISA-N -1 0 302.355 3.552 20 30 DHEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1cc2ccccc2o1 ZINC000255575606 1018622076 /nfs/dbraw/zinc/62/20/76/1018622076.db2.gz SRRXUORMNXNMRD-VURMDHGXSA-N -1 0 309.277 3.943 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2cnn(C(C)C)c2C2CC2)n1 ZINC000161883641 1018685782 /nfs/dbraw/zinc/68/57/82/1018685782.db2.gz BVCWTXQSBDDZDQ-GFCCVEGCSA-N -1 0 314.414 3.596 20 30 DHEDRM C=CC[C@@H](C)OC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000923132196 1019037593 /nfs/dbraw/zinc/03/75/93/1019037593.db2.gz PZRUQWQJLKRGTL-SECBINFHSA-N -1 0 312.391 3.612 20 30 DHEDRM C[C@@H](SCc1ccccc1)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000176825742 1019113271 /nfs/dbraw/zinc/11/32/71/1019113271.db2.gz LWXLQTMNAWTPID-GFCCVEGCSA-N -1 0 312.394 3.524 20 30 DHEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(-c3ccccc3F)o2)c1 ZINC000176824441 1019116095 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ZINC000338621078 1019349624 /nfs/dbraw/zinc/34/96/24/1019349624.db2.gz BIGFUPKTBXCLAO-JTQLQIEISA-N -1 0 311.366 3.727 20 30 DHEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)c1C#N ZINC000611305054 1019438468 /nfs/dbraw/zinc/43/84/68/1019438468.db2.gz DBRLCJPWTJTYKW-UHFFFAOYSA-N -1 0 312.394 3.545 20 30 DHEDRM CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccco2)cc1 ZINC000131460115 1019507699 /nfs/dbraw/zinc/50/76/99/1019507699.db2.gz KWUGZKDRBFLUNR-SWLSCSKDSA-N -1 0 310.353 3.754 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2cc(C#N)cs2)n1 ZINC000083956664 1032836348 /nfs/dbraw/zinc/83/63/48/1032836348.db2.gz WZNWGZLKUQCPRO-SNVBAGLBSA-N -1 0 301.396 3.690 20 30 DHEDRM Cc1oc(C2CC2)nc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000671746012 1019905896 /nfs/dbraw/zinc/90/58/96/1019905896.db2.gz GKLNIORSMZETEE-CQSZACIVSA-N -1 0 317.348 3.899 20 30 DHEDRM CCOc1ccc(/C=C/C(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000730150370 1019953806 /nfs/dbraw/zinc/95/38/06/1019953806.db2.gz SWCGNGJSDYAIIX-VMPITWQZSA-N -1 0 302.351 3.741 20 30 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ZINC000852998552 1022192558 /nfs/dbraw/zinc/19/25/58/1022192558.db2.gz OGQKHMODHSGAAO-RZNTYIFUSA-N -1 0 308.255 3.924 20 30 DHEDRM COC[C@H](C)Oc1ccc(/C=C2/Cc3cc(O)ccc3C2=O)cc1 ZINC000853007155 1022195098 /nfs/dbraw/zinc/19/50/98/1022195098.db2.gz QEKWRCKGWOKDTR-LWLPBDFMSA-N -1 0 324.376 3.628 20 30 DHEDRM Cc1cc(C)cc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC000921262167 1022238571 /nfs/dbraw/zinc/23/85/71/1022238571.db2.gz RJQFXLRZOXPVGI-SREVYHEPSA-N -1 0 310.349 3.663 20 30 DHEDRM O=C([O-])c1ccc(N=NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000853354472 1022261671 /nfs/dbraw/zinc/26/16/71/1022261671.db2.gz KZKATHAMVKWOEG-NXEZZACHSA-N -1 0 315.295 3.546 20 30 DHEDRM C[C@@H]1C(N=Nc2ccnc(Cl)c2)CC[C@H](C(=O)[O-])C1(C)C ZINC000853395437 1022267328 /nfs/dbraw/zinc/26/73/28/1022267328.db2.gz XFTVDWMMWGFBOM-MWLCHTKSSA-N -1 0 309.797 3.660 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCC1CCC1 ZINC000175089309 1022290972 /nfs/dbraw/zinc/29/09/72/1022290972.db2.gz ZHYMSKOOFWXGCU-OAHLLOKOSA-N -1 0 308.381 3.948 20 30 DHEDRM Cc1ccc(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)cc1[N+](=O)[O-] ZINC000175316733 1022340267 /nfs/dbraw/zinc/34/02/67/1022340267.db2.gz CJXYNAUGJUQUSC-HWKANZROSA-N -1 0 319.263 3.783 20 30 DHEDRM COC(=O)c1sc(Nc2ccc(Cl)c([O-])c2)c(C#N)c1C ZINC001212588542 1022349042 /nfs/dbraw/zinc/34/90/42/1022349042.db2.gz SXTBDFVGDRYMCY-UHFFFAOYSA-N -1 0 322.773 3.817 20 30 DHEDRM Cc1cccc2c1[C@@H](C)/C(=C\c1cccc(OCC(=O)[O-])c1)C2=O ZINC000766696949 1022402486 /nfs/dbraw/zinc/40/24/86/1022402486.db2.gz YQPJWJZPVBPKHZ-VZWMTCDZSA-N -1 0 322.360 3.842 20 30 DHEDRM CC(=NNc1cc(C)ccc1F)c1cc(C(=O)[O-])c(C)nc1C ZINC000776725563 1022447759 /nfs/dbraw/zinc/44/77/59/1022447759.db2.gz BKHIPZSYAKYTMN-UHFFFAOYSA-N -1 0 315.348 3.680 20 30 DHEDRM C[C@@](CC(=O)[O-])(C(=O)Nc1ccc(C#N)cc1)C1CCCCC1 ZINC000237577500 1022450109 /nfs/dbraw/zinc/45/01/09/1022450109.db2.gz JVQULIWAPURLDT-SFHVURJKSA-N -1 0 314.385 3.558 20 30 DHEDRM CC(C)c1ccccc1OCCC(=O)Nc1cc(C#N)ccc1[O-] ZINC000179741305 1022526745 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Cn1cc(/C=C\C(=O)c2ccc(F)cc2[O-])c(-c2ccccc2)n1 ZINC000771524730 1023447950 /nfs/dbraw/zinc/44/79/50/1023447950.db2.gz MQJWZBWSSTYBBC-YFHOEESVSA-N -1 0 322.339 3.828 20 30 DHEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cccc(C)c1 ZINC000125254294 1023470732 /nfs/dbraw/zinc/47/07/32/1023470732.db2.gz WPSFJTZFJANPGL-INIZCTEOSA-N -1 0 316.360 3.990 20 30 DHEDRM COc1cc(C)ccc1C(=O)/C=C\c1ccc([N+](=O)[O-])c([O-])c1 ZINC000748149195 1023581263 /nfs/dbraw/zinc/58/12/63/1023581263.db2.gz ZUSPXHCMYPXCIR-YVMONPNESA-N -1 0 313.309 3.514 20 30 DHEDRM CCc1cnccc1C(=O)/C=C/c1cccc(C(=O)[O-])c1Cl ZINC000787185180 1023770950 /nfs/dbraw/zinc/77/09/50/1023770950.db2.gz XSPIYTUBYWUENF-VOTSOKGWSA-N -1 0 315.756 3.892 20 30 DHEDRM O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1csc(Cl)c1 ZINC000787186904 1023771154 /nfs/dbraw/zinc/77/11/54/1023771154.db2.gz SUBHNWJWFGAWEL-DAFODLJHSA-N -1 0 309.730 3.911 20 30 DHEDRM O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1csc(Cl)c1 ZINC000787186905 1023772267 /nfs/dbraw/zinc/77/22/67/1023772267.db2.gz SUBHNWJWFGAWEL-RJRFIUFISA-N -1 0 309.730 3.911 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(Cl)nc2)n1 ZINC000788084683 1023850209 /nfs/dbraw/zinc/85/02/09/1023850209.db2.gz GLIPNRDCVYGDDH-JTQLQIEISA-N -1 0 305.790 3.805 20 30 DHEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N\CCOC(F)(F)F ZINC000788675629 1023918071 /nfs/dbraw/zinc/91/80/71/1023918071.db2.gz YGAKOBUUJXRBPS-BNCCVWRVSA-N -1 0 302.079 3.654 20 30 DHEDRM O=C(/C=C\c1cnc(-c2ccco2)s1)c1ccc(O)cc1[O-] ZINC000789143753 1024005878 /nfs/dbraw/zinc/00/58/78/1024005878.db2.gz RQVRQQXUHIXSJW-XQRVVYSFSA-N -1 0 313.334 3.710 20 30 DHEDRM C[C@H](O[N-]C(=O)C(C)(C)c1ccccc1)c1ccc(C#N)cc1 ZINC000194629130 1024008760 /nfs/dbraw/zinc/00/87/60/1024008760.db2.gz GJZUYWWDAUBIGE-AWEZNQCLSA-N -1 0 308.381 3.645 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H]2CCC3(CCCCC3)O2)c1 ZINC000790100531 1024225900 /nfs/dbraw/zinc/22/59/00/1024225900.db2.gz WNFPZHNFRCNGFK-LZNAANCOSA-N -1 0 318.373 3.601 20 30 DHEDRM O=C(/C=C\c1ccnn1-c1ccccc1)c1ccc([O-])c(F)c1 ZINC000790599731 1024333155 /nfs/dbraw/zinc/33/31/55/1024333155.db2.gz CHRZDAHQSHIUOX-CLFYSBASSA-N -1 0 308.312 3.613 20 30 DHEDRM Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)nn1C(C)C ZINC000453691716 1024566854 /nfs/dbraw/zinc/56/68/54/1024566854.db2.gz KUXHBYGSHSORAD-GFCCVEGCSA-N -1 0 316.430 3.842 20 30 DHEDRM C#CCCN(Cc1c([O-])ccc(Cl)c1F)CC(F)(F)F ZINC000792173958 1024641562 /nfs/dbraw/zinc/64/15/62/1024641562.db2.gz AGVGLQTYLJCFMR-UHFFFAOYSA-N -1 0 309.690 3.572 20 30 DHEDRM O=C([O-])c1cc(C(=O)/C=C/c2cncc3ccccc23)cs1 ZINC000772805072 1024713114 /nfs/dbraw/zinc/71/31/14/1024713114.db2.gz FLZGFKQOPKRWKJ-AATRIKPKSA-N -1 0 309.346 3.891 20 30 DHEDRM CCCCCCCC[C@H](CC)N[C@@H](CCC(=O)[O-])C(=O)OC ZINC001172501999 1033231984 /nfs/dbraw/zinc/23/19/84/1033231984.db2.gz HHEVGKOPGCDECL-GJZGRUSLSA-N -1 0 315.454 3.512 20 30 DHEDRM CC[C@@H](NN=C(C)c1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC000793071923 1024876377 /nfs/dbraw/zinc/87/63/77/1024876377.db2.gz NFVYFRAXERCCMK-OAHLLOKOSA-N -1 0 310.353 3.763 20 30 DHEDRM CC[C@@H](NN=Cc1ccc(-c2ccccc2Cl)s1)C(=O)[O-] ZINC000793073006 1024876420 /nfs/dbraw/zinc/87/64/20/1024876420.db2.gz XQFHKQNXOHMTDU-CYBMUJFWSA-N -1 0 322.817 3.855 20 30 DHEDRM CC[C@@H](NN=C/C(C)=C\c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000793059064 1024891134 /nfs/dbraw/zinc/89/11/34/1024891134.db2.gz XYIQDIKQULJCHZ-SNFPTHDXSA-N -1 0 314.307 3.547 20 30 DHEDRM N#Cc1ccc(C(F)(F)F)c(NC2CCC(C(=O)[O-])CC2)c1 ZINC000263565788 1025143653 /nfs/dbraw/zinc/14/36/53/1025143653.db2.gz VYYIOXYXZGNGDC-UHFFFAOYSA-N -1 0 312.291 3.632 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2cncnc2C(C)C)n1 ZINC000353893240 1025281734 /nfs/dbraw/zinc/28/17/34/1025281734.db2.gz TXETUCSDHPLRHY-LLVKDONJSA-N -1 0 314.414 3.670 20 30 DHEDRM N#CC(=C([O-])c1csc(-c2cccs2)n1)c1ccccn1 ZINC000041492888 1025405307 /nfs/dbraw/zinc/40/53/07/1025405307.db2.gz XJBHPOQZLUPXEE-SNVBAGLBSA-N -1 0 311.391 3.757 20 30 DHEDRM COc1ccc(Cl)cc1C([O-])=C(C#N)c1nc(C)cs1 ZINC000041521704 1025407704 /nfs/dbraw/zinc/40/77/04/1025407704.db2.gz XYWADNNSQYSQDH-LLVKDONJSA-N -1 0 306.774 3.604 20 30 DHEDRM CC(C)c1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C)n1 ZINC000354486670 1025443020 /nfs/dbraw/zinc/44/30/20/1025443020.db2.gz AZLLRBMUYJQJCF-CYBMUJFWSA-N -1 0 318.380 3.582 20 30 DHEDRM CCCc1nc(C)c(C([O-])=C(C#N)c2nc(C)cs2)s1 ZINC000048520477 1025663439 /nfs/dbraw/zinc/66/34/39/1025663439.db2.gz VDHKRWOAKRKIHQ-SNVBAGLBSA-N -1 0 305.428 3.659 20 30 DHEDRM COc1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)ccc1C#N ZINC001211967271 1025902903 /nfs/dbraw/zinc/90/29/03/1025902903.db2.gz ZGDJOYBWCYQJBL-UHFFFAOYSA-N -1 0 302.717 3.662 20 30 DHEDRM C=CCOc1ccccc1/C=C\C(=O)c1cccc(C(=O)[O-])c1 ZINC000806558655 1025922250 /nfs/dbraw/zinc/92/22/50/1025922250.db2.gz ILONOKBTQFDTBE-KHPPLWFESA-N -1 0 308.333 3.846 20 30 DHEDRM CC(=O)c1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)s1 ZINC000047376629 1026212126 /nfs/dbraw/zinc/21/21/26/1026212126.db2.gz OKFIBWJKUYMMIO-ZDUSSCGKSA-N -1 0 320.373 3.989 20 30 DHEDRM Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC000041547744 1026816487 /nfs/dbraw/zinc/81/64/87/1026816487.db2.gz QWZZBUWRNBHRDN-LBPRGKRZSA-N -1 0 321.292 3.535 20 30 DHEDRM O=C([O-])COc1cccc(/C=C/C(=O)c2coc3ccccc23)c1 ZINC000747705073 1026986711 /nfs/dbraw/zinc/98/67/11/1026986711.db2.gz KTVYUUILQCFTAQ-CMDGGOBGSA-N -1 0 322.316 3.792 20 30 DHEDRM C#C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1 ZINC000811625981 1027038844 /nfs/dbraw/zinc/03/88/44/1027038844.db2.gz ZWOLRCDBOKDSDW-BFERYNQYSA-N -1 0 314.728 3.747 20 30 DHEDRM O=C([O-])c1csc(/C=C2/Oc3cccc(Cl)c3C2=O)c1 ZINC000811697127 1027069829 /nfs/dbraw/zinc/06/98/29/1027069829.db2.gz ADRAAJILXNGWAE-VZUCSPMQSA-N -1 0 306.726 3.716 20 30 DHEDRM COc1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])cc1Cl ZINC000156621826 1027134149 /nfs/dbraw/zinc/13/41/49/1027134149.db2.gz LPFJJOKVPHOSLK-QHHAFSJGSA-N -1 0 304.729 3.656 20 30 DHEDRM Cc1ccc(-c2n[nH]cc2C=NNc2ccc(C(=O)[O-])cc2)cc1 ZINC000812369756 1027257202 /nfs/dbraw/zinc/25/72/02/1027257202.db2.gz PPRIMTQVFPXKSK-UHFFFAOYSA-N -1 0 320.352 3.529 20 30 DHEDRM N#Cc1ccc(F)c(F)c1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203333221 1027459544 /nfs/dbraw/zinc/45/95/44/1027459544.db2.gz AGLNEUXYZPBMBG-UHFFFAOYSA-N -1 0 310.206 3.556 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCCC1CC1 ZINC000813056834 1027505654 /nfs/dbraw/zinc/50/56/54/1027505654.db2.gz CHGDOZDQCCCPJF-OAHLLOKOSA-N -1 0 308.381 3.948 20 30 DHEDRM C[C@@H](C#N)CSc1ccccc1[N-]C(=S)NC1CCC1 ZINC000814197116 1027934120 /nfs/dbraw/zinc/93/41/20/1027934120.db2.gz RYWTYZGXJCXFMI-NSHDSACASA-N -1 0 305.472 3.777 20 30 DHEDRM CCC(CC)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000048407567 1028050380 /nfs/dbraw/zinc/05/03/80/1028050380.db2.gz CQXYNUACKQHIKL-UHFFFAOYSA-N -1 0 305.399 3.921 20 30 DHEDRM CC(=CC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1)C1CC1 ZINC000048408582 1028050574 /nfs/dbraw/zinc/05/05/74/1028050574.db2.gz MXLUTEQLUKZQNE-ZRDIBKRKSA-N -1 0 315.394 3.841 20 30 DHEDRM CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000048453235 1028087304 /nfs/dbraw/zinc/08/73/04/1028087304.db2.gz AUZJLHVKLRVAIF-LLVKDONJSA-N -1 0 301.383 3.687 20 30 DHEDRM CCCCS(=O)(=O)[N-]C(=O)Cc1ccc(CC(C)C)cc1 ZINC000048553121 1028138348 /nfs/dbraw/zinc/13/83/48/1028138348.db2.gz SUSFHJXKNGEHBL-UHFFFAOYSA-N -1 0 311.447 3.514 20 30 DHEDRM C[C@H]1C(N=Nc2ccccc2[N+](=O)[O-])CC[C@H](C(=O)[O-])C1(C)C ZINC000814686024 1028154388 /nfs/dbraw/zinc/15/43/88/1028154388.db2.gz UAKBMDPBOMHLNW-WDEREUQCSA-N -1 0 319.361 3.520 20 30 DHEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)CCC2CCCCC2)c1 ZINC000048597886 1028163092 /nfs/dbraw/zinc/16/30/92/1028163092.db2.gz QYXRDTCBKFNTMV-UHFFFAOYSA-N -1 0 320.414 3.564 20 30 DHEDRM O=C([O-])C1(c2ccccc2)CC(N=Nc2ccc(F)cc2F)C1 ZINC000814686686 1028167184 /nfs/dbraw/zinc/16/71/84/1028167184.db2.gz WJLFBTXFGQMILI-UHFFFAOYSA-N -1 0 316.307 3.549 20 30 DHEDRM C[C@H]1C(N=Nc2cccc([N+](=O)[O-])c2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814694589 1028170971 /nfs/dbraw/zinc/17/09/71/1028170971.db2.gz QRHCBRWNCMCPDX-GXFFZTMASA-N -1 0 319.361 3.520 20 30 DHEDRM O=C([O-])c1ccc2c(c1)CCCC2N=Nc1ncccc1Cl ZINC000814810563 1028233148 /nfs/dbraw/zinc/23/31/48/1028233148.db2.gz QGIFPBYLZJQEMS-UHFFFAOYSA-N -1 0 315.760 3.586 20 30 DHEDRM CC(CC1(C(=O)[O-])CCC1)N=Nc1ccc(OC(F)F)cc1 ZINC000814829087 1028234983 /nfs/dbraw/zinc/23/49/83/1028234983.db2.gz ZCKLVOBNGYMDJV-UHFFFAOYSA-N -1 0 312.316 3.721 20 30 DHEDRM C[C@@H]1C(N=Nc2ncccc2Cl)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814810408 1028235032 /nfs/dbraw/zinc/23/50/32/1028235032.db2.gz LBETYDLIVFQHJL-ZJUUUORDSA-N -1 0 309.797 3.660 20 30 DHEDRM CC(=NNc1cccc2cnccc21)c1csc(C(=O)[O-])c1 ZINC000814836541 1028238582 /nfs/dbraw/zinc/23/85/82/1028238582.db2.gz RJQHTQJNNBOGDS-UHFFFAOYSA-N -1 0 311.366 3.831 20 30 DHEDRM CCC(CC)NN=C(C)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814850961 1028244320 /nfs/dbraw/zinc/24/43/20/1028244320.db2.gz BMYAFSQFCLBZSH-UHFFFAOYSA-N -1 0 316.401 3.871 20 30 DHEDRM CC(=NNc1cc(F)c(F)cc1F)c1csc(C(=O)[O-])c1 ZINC000814851426 1028244995 /nfs/dbraw/zinc/24/49/95/1028244995.db2.gz NBKCAMTTYONURH-UHFFFAOYSA-N -1 0 314.288 3.700 20 30 DHEDRM CC(=NNCc1cccc(Cl)c1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814868201 1028252273 /nfs/dbraw/zinc/25/22/73/1028252273.db2.gz WRLKDFPINGBHCU-HIFRSBDPSA-N -1 0 322.836 3.943 20 30 DHEDRM C[C@@H]1C(=NNCc2cc(F)ccc2F)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814872163 1028254259 /nfs/dbraw/zinc/25/42/59/1028254259.db2.gz FJIPZHZGMACVCD-MFKMUULPSA-N -1 0 324.371 3.567 20 30 DHEDRM COC(=O)c1ccccc1N=NC(C)[C@@H](C)CCCCC(=O)[O-] ZINC000814894321 1028264740 /nfs/dbraw/zinc/26/47/40/1028264740.db2.gz KMDBRMYQTNSPFK-LBPRGKRZSA-N -1 0 320.389 3.542 20 30 DHEDRM O=C([O-])c1cccc2c1CC(=NOCc1ccc(F)cc1)CC2 ZINC000814903307 1028271692 /nfs/dbraw/zinc/27/16/92/1028271692.db2.gz BYNPQTVDGRDDGO-UHFFFAOYSA-N -1 0 313.328 3.585 20 30 DHEDRM CC(C)c1c(Cl)ncnc1N=NC1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000814921923 1028284454 /nfs/dbraw/zinc/28/44/54/1028284454.db2.gz KKEQTSKIKPXNQC-GXSJLCMTSA-N -1 0 324.812 3.542 20 30 DHEDRM C[C@@H]1C(N=Nc2cccc(Cl)n2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814939194 1028293533 /nfs/dbraw/zinc/29/35/33/1028293533.db2.gz HQBBXGIDRHEJQI-NXEZZACHSA-N -1 0 309.797 3.660 20 30 DHEDRM CC(=NN[C@H](C)C(C)(C)C)c1cccc(OCCCC(=O)[O-])c1 ZINC000814937544 1028295217 /nfs/dbraw/zinc/29/52/17/1028295217.db2.gz KKLMKGULJRXAHB-CQSZACIVSA-N -1 0 320.433 3.678 20 30 DHEDRM C=CCN(CCc1ccco1)C(=O)c1cccc(Cl)c1[O-] ZINC000779145300 1028419430 /nfs/dbraw/zinc/41/94/30/1028419430.db2.gz SFDGHCRWLWHLGZ-UHFFFAOYSA-N -1 0 305.761 3.510 20 30 DHEDRM CCOc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1 ZINC000041545746 1028749408 /nfs/dbraw/zinc/74/94/08/1028749408.db2.gz VPERSCYKXLHIQL-CQSZACIVSA-N -1 0 306.321 3.717 20 30 DHEDRM Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1[N+](=O)[O-] ZINC000041548233 1028750886 /nfs/dbraw/zinc/75/08/86/1028750886.db2.gz DWTXLDLJNPJDIV-GFCCVEGCSA-N -1 0 321.292 3.535 20 30 DHEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnn3ccccc23)s1 ZINC000567515957 1028904600 /nfs/dbraw/zinc/90/46/00/1028904600.db2.gz OTLMSXXVLRYSND-NSHDSACASA-N -1 0 324.409 3.578 20 30 DHEDRM CC(C)c1nocc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000528912060 1028921840 /nfs/dbraw/zinc/92/18/40/1028921840.db2.gz HTFXHIXUOHDZHM-SNVBAGLBSA-N -1 0 323.274 3.702 20 30 DHEDRM Cc1cccc(S(=O)(=O)[N-]C(=O)CCCc2cccs2)c1 ZINC000042314050 1028961561 /nfs/dbraw/zinc/96/15/61/1028961561.db2.gz FGWLMLYKRUVBQT-UHFFFAOYSA-N -1 0 323.439 3.725 20 30 DHEDRM O=C([O-])c1cc(C(=O)/C=C/c2nccn2-c2ccccc2)cs1 ZINC000191298328 1029359923 /nfs/dbraw/zinc/35/99/23/1029359923.db2.gz WNIDSLQUXVENJW-VOTSOKGWSA-N -1 0 324.361 3.528 20 30 DHEDRM O=C([O-])c1cc(NN=Cc2scnc2C2CC2)ccc1Cl ZINC000782111162 1029479809 /nfs/dbraw/zinc/47/98/09/1029479809.db2.gz NQFNDELSIAQXLX-UHFFFAOYSA-N -1 0 321.789 3.818 20 30 DHEDRM Cc1cccc2c(C([O-])=C(C#N)C(=O)NC3CCCCC3)coc21 ZINC000819945510 1029632369 /nfs/dbraw/zinc/63/23/69/1029632369.db2.gz UOZDCPATRYNGEH-HNNXBMFYSA-N -1 0 324.380 3.513 20 30 DHEDRM O=C([O-])c1ccc(N=NC=CCc2ccc(F)c(F)c2)cc1 ZINC000794857943 1029978304 /nfs/dbraw/zinc/97/83/04/1029978304.db2.gz ZMBCCEQNLNXNIY-IEUXWHQSSA-N -1 0 302.280 3.774 20 30 DHEDRM Cn1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000357803723 1030198786 /nfs/dbraw/zinc/19/87/86/1030198786.db2.gz MCHXMHNFXUCEGX-CQSZACIVSA-N -1 0 307.378 3.639 20 30 DHEDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C1\Cc2cc(F)ccc2C1=O ZINC000794941965 1030425635 /nfs/dbraw/zinc/42/56/35/1030425635.db2.gz DLDVCQSIMSHFES-MKMNVTDBSA-N -1 0 310.324 3.963 20 30 DHEDRM CCc1cnccc1C(=O)/C=C\c1cc(C(=O)[O-])c(C)cc1C ZINC000794946520 1030431071 /nfs/dbraw/zinc/43/10/71/1030431071.db2.gz OVEYNPQLMUQMRH-WAYWQWQTSA-N -1 0 309.365 3.855 20 30 DHEDRM Cn1cc2c(n1)CC/C(=C\c1cc(Cl)c([O-])cc1Cl)C2=O ZINC000794961525 1030455531 /nfs/dbraw/zinc/45/55/31/1030455531.db2.gz GXZJNBCMPSGMDW-XBXARRHUSA-N -1 0 323.179 3.645 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2nc(C(C)(C)C)cs2)n1 ZINC000870117579 1030924067 /nfs/dbraw/zinc/92/40/67/1030924067.db2.gz MXDKCJBYBYCIQL-VIFPVBQESA-N -1 0 305.428 3.696 20 30 DHEDRM N#CC(=C([O-])c1conc1C1CCCC1)c1nc2ccccc2o1 ZINC000870162292 1030931618 /nfs/dbraw/zinc/93/16/18/1030931618.db2.gz DTRMQHZDHXNVJU-GFCCVEGCSA-N -1 0 321.336 3.963 20 30 DHEDRM CC(C)(C)O[C@H](C(=O)[N-]Oc1cccc(C#N)c1)c1ccccc1 ZINC000870691940 1031065430 /nfs/dbraw/zinc/06/54/30/1031065430.db2.gz USIKIHXCLBQJBP-KRWDZBQOSA-N -1 0 324.380 3.525 20 30 DHEDRM CC[C@@H](C)c1ccccc1OCC(=O)[N-]Oc1cccc(C#N)c1 ZINC000870693801 1031065611 /nfs/dbraw/zinc/06/56/11/1031065611.db2.gz UYZYXXJARSITBE-CQSZACIVSA-N -1 0 324.380 3.561 20 30 DHEDRM COc1ccc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])c(OC)c1 ZINC000757473653 1031185866 /nfs/dbraw/zinc/18/58/66/1031185866.db2.gz NKYYLQOYXHQOPM-XQRVVYSFSA-N -1 0 320.291 3.584 20 30 DHEDRM C=C[C@H](C)ON=C(C)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000844621185 1031254655 /nfs/dbraw/zinc/25/46/55/1031254655.db2.gz VQJVPFAXDVBICN-NSHDSACASA-N -1 0 301.342 3.683 20 30 DHEDRM O=C([O-])c1ccccc1N=NCC1([C@@H]2CCCCO2)CCC1 ZINC000872337818 1031585041 /nfs/dbraw/zinc/58/50/41/1031585041.db2.gz HRXWOXBBTQBRHX-HNNXBMFYSA-N -1 0 302.374 3.522 20 30 DHEDRM O=C([O-])c1ccc(N=NCC2([C@@H]3CCCCO3)CCC2)cc1 ZINC000872324011 1031585380 /nfs/dbraw/zinc/58/53/80/1031585380.db2.gz IEEKJYAPHHXZRO-HNNXBMFYSA-N -1 0 302.374 3.522 20 30 DHEDRM Cc1cccc2sc(N=NC3CC[C@@H](C(=O)[O-])[C@@H](C)C3)nc21 ZINC000872419454 1031605511 /nfs/dbraw/zinc/60/55/11/1031605511.db2.gz IWCVEADLWPDRHP-CMPLNLGQSA-N -1 0 317.414 3.893 20 30 DHEDRM N#CC(=C([O-])c1sccc1-c1ccc(F)cc1)c1ccncn1 ZINC000760336358 1031667699 /nfs/dbraw/zinc/66/76/99/1031667699.db2.gz YOIXOTNRAYPKIZ-CQSZACIVSA-N -1 0 323.352 3.834 20 30 DHEDRM CCCC=CC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845837492 1031736445 /nfs/dbraw/zinc/73/64/45/1031736445.db2.gz ORGVSDIRNXJDEX-FLUIGGAXSA-N -1 0 301.411 3.875 20 30 DHEDRM CC=C(CC)C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845834821 1031736512 /nfs/dbraw/zinc/73/65/12/1031736512.db2.gz SILATKLPAKTGDU-LXRBDXNZSA-N -1 0 301.411 3.875 20 30 DHEDRM N#CC(C(=O)[C@@H]1CC=CCC1)=C([O-])c1cc2c(s1)CCCC2 ZINC000845836456 1031738016 /nfs/dbraw/zinc/73/80/16/1031738016.db2.gz KKYLICVAKBOCOA-OCCSQVGLSA-N -1 0 313.422 3.875 20 30 DHEDRM Cc1c(F)cccc1C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845842010 1031741195 /nfs/dbraw/zinc/74/11/95/1031741195.db2.gz CIVOWBYBJZCNFM-MRXNPFEDSA-N -1 0 321.351 3.758 20 30 DHEDRM CC(=O)c1csc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000361518985 1031966504 /nfs/dbraw/zinc/96/65/04/1031966504.db2.gz LYNXTALMXKEEJH-HNNXBMFYSA-N -1 0 320.373 3.989 20 30 DHEDRM COc1ccsc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000361517414 1031967885 /nfs/dbraw/zinc/96/78/85/1031967885.db2.gz CPWRZAVOJLOFBF-ZDUSSCGKSA-N -1 0 308.362 3.795 20 30 DHEDRM C=C[C@H](C)O[N-]C(=O)Cc1csc(-c2ccc(CC)cc2)n1 ZINC000846546854 1031996869 /nfs/dbraw/zinc/99/68/69/1031996869.db2.gz ZFVDZVKNASXCJK-LBPRGKRZSA-N -1 0 316.426 3.537 20 30 DHEDRM CC(C)c1occc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000361650691 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303.361 3.618 20 30 DHEDRM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])c1cccc(Cl)c1 ZINC000916876871 1038020357 /nfs/dbraw/zinc/02/03/57/1038020357.db2.gz BDIAQJBAJDIKSP-MRXNPFEDSA-N -1 0 323.779 3.963 20 30 DHEDRM N#CC(C(=O)c1ccsc1)=C([O-])c1cc2c(s1)CCCC2 ZINC000916878828 1038021762 /nfs/dbraw/zinc/02/17/62/1038021762.db2.gz WKPPYBCMMVVMDV-GFCCVEGCSA-N -1 0 315.419 3.894 20 30 DHEDRM CC#Cc1cncc(NCc2cc(Cl)c3cccnc3c2O)c1 ZINC001168522312 1038030048 /nfs/dbraw/zinc/03/00/48/1038030048.db2.gz FPECYCBXJALRJU-UHFFFAOYSA-N -1 0 323.783 3.972 20 30 DHEDRM CCc1noc(C)c1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000080451359 1038332208 /nfs/dbraw/zinc/33/22/08/1038332208.db2.gz ZJDDAMRLPXVKEW-JTQLQIEISA-N -1 0 303.387 3.615 20 30 DHEDRM CC(C)c1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190607889 1038355393 /nfs/dbraw/zinc/35/53/93/1038355393.db2.gz CIUNRBZDVDKPGE-UHFFFAOYSA-N -1 0 318.373 3.622 20 30 DHEDRM COc1cc(C(=O)Nc2sc(C)cc2C#N)cc(Cl)c1[O-] ZINC001191129525 1038447790 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300.280 3.634 20 30 DHEDRM N#CC(=C([O-])c1cscn1)c1nc2cc(Cl)ccc2s1 ZINC000103330731 332937359 /nfs/dbraw/zinc/93/73/59/332937359.db2.gz YIAJCQUKLSAYNW-QMMMGPOBSA-N -1 0 319.798 3.896 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/[C@H]2CCOC3(CCCCC3)C2)c1 ZINC000128489368 332498629 /nfs/dbraw/zinc/49/86/29/332498629.db2.gz ANOLRKANXJAFJG-QCUKBLKESA-N -1 0 318.373 3.601 20 30 DHEDRM CC(C)(C)c1[n-]n(Cc2ccccc2F)c(=O)c1CCC#N ZINC000151843364 332689907 /nfs/dbraw/zinc/68/99/07/332689907.db2.gz DMMPYYWULDAXFX-UHFFFAOYSA-N -1 0 301.365 3.530 20 30 DHEDRM Cc1ccc(F)cc1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000187176590 333228474 /nfs/dbraw/zinc/22/84/74/333228474.db2.gz KGPURFXAGQZFPP-UHFFFAOYSA-N -1 0 315.392 3.838 20 30 DHEDRM CC(C)Cn1nccc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000563119118 333393213 /nfs/dbraw/zinc/39/32/13/333393213.db2.gz KBIUSKJTDWTHGD-LBPRGKRZSA-N -1 0 324.409 3.639 20 30 DHEDRM N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000414634300 334048764 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N#Cc1ccc(C(=O)Nc2scnc2-c2ccccc2)cc1[O-] ZINC000188513122 334819207 /nfs/dbraw/zinc/81/92/07/334819207.db2.gz FBMDQFPNEWILEE-UHFFFAOYSA-N -1 0 321.361 3.640 20 30 DHEDRM CCC1(CNC(=O)c2cc(F)cc(Cl)c2[O-])CCOCC1 ZINC000331225481 334842599 /nfs/dbraw/zinc/84/25/99/334842599.db2.gz CDZLIPFCNLXIES-UHFFFAOYSA-N -1 0 315.772 3.696 20 30 DHEDRM CC1(C)CCC(SCc2cc(=O)n3[n-]cc(C#N)c3n2)CC1 ZINC000344449645 335249629 /nfs/dbraw/zinc/24/96/29/335249629.db2.gz QCHALGSUWWMFKO-UHFFFAOYSA-N -1 0 316.430 3.509 20 30 DHEDRM CC(=O)c1ccc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)s1 ZINC000345372354 335325719 /nfs/dbraw/zinc/32/57/19/335325719.db2.gz KJJTZMMIIZOSNA-LLVKDONJSA-N -1 0 323.377 3.626 20 30 DHEDRM N#CC(=C([O-])c1coc(-c2ccccc2Cl)n1)c1ccccn1 ZINC000345667807 335344601 /nfs/dbraw/zinc/34/46/01/335344601.db2.gz UDYMFOPDZQBFFE-LBPRGKRZSA-N -1 0 323.739 3.880 20 30 DHEDRM Cc1oc(C(C)C)cc1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1 ZINC000353751058 336438788 /nfs/dbraw/zinc/43/87/88/336438788.db2.gz 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ZINC000442071174 338420949 /nfs/dbraw/zinc/42/09/49/338420949.db2.gz CYEHMCFBFGWFOL-VIFPVBQESA-N -1 0 313.407 3.805 20 30 DHEDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2C#N)s1 ZINC000476292802 339473484 /nfs/dbraw/zinc/47/34/84/339473484.db2.gz NWFIUJAYNRNULY-UHFFFAOYSA-N -1 0 320.439 3.718 20 30 DHEDRM N#Cc1ccc(/C=C\c2nc3c(cccc3C(=O)[O-])o2)c(F)c1 ZINC000485981387 339717861 /nfs/dbraw/zinc/71/78/61/339717861.db2.gz TXBVIRBLRRGPHR-SREVYHEPSA-N -1 0 308.268 3.707 20 30 DHEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1cccc(C(F)(F)F)c1 ZINC000509690736 340277114 /nfs/dbraw/zinc/27/71/14/340277114.db2.gz KIGRCHYTFNXYTF-GQCTYLIASA-N -1 0 318.254 3.841 20 30 DHEDRM C=CCOc1ccc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000237661651 340673014 /nfs/dbraw/zinc/67/30/14/340673014.db2.gz RBOGTVSGOWODNJ-UHFFFAOYSA-N -1 0 311.337 3.510 20 30 DHEDRM CCc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)c1 ZINC000545436496 341125032 /nfs/dbraw/zinc/12/50/32/341125032.db2.gz ACOHCQDVMVZIBQ-UHFFFAOYSA-N -1 0 320.801 3.575 20 30 DHEDRM N#Cc1ccc(C(=O)Nc2cccc(Cl)c2[O-])cc1Cl ZINC000548634011 341268106 /nfs/dbraw/zinc/26/81/06/341268106.db2.gz XTFXHUPTLSATJB-UHFFFAOYSA-N -1 0 307.136 3.823 20 30 DHEDRM N#Cc1ccsc1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000154717471 341595197 /nfs/dbraw/zinc/59/51/97/341595197.db2.gz VJXMLPWDQVNHRD-UHFFFAOYSA-N -1 0 313.165 3.884 20 30 DHEDRM C=CCN(Cc1ccccc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000817681146 597334308 /nfs/dbraw/zinc/33/43/08/597334308.db2.gz ZAPIJSNRTLOHBP-UHFFFAOYSA-N -1 0 324.380 3.534 20 30 DHEDRM N#CCC[C@H](NC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1 ZINC000821320023 598177691 /nfs/dbraw/zinc/17/76/91/598177691.db2.gz GLCXKXNNJOVORS-HNNXBMFYSA-N -1 0 323.352 3.551 20 30 DHEDRM Cc1cc(-c2ccccc2)ccc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820949275 598223967 /nfs/dbraw/zinc/22/39/67/598223967.db2.gz KUKMNNURNXIOLP-IBGZPJMESA-N -1 0 322.364 3.605 20 30 DHEDRM N#Cc1cc(F)ccc1CSCc1cccc(C(=O)[O-])c1 ZINC000739098894 599891298 /nfs/dbraw/zinc/89/12/98/599891298.db2.gz KIVUGIOFXBOIDQ-UHFFFAOYSA-N -1 0 301.342 3.829 20 30 DHEDRM CCCCCCCC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000736984400 599974386 /nfs/dbraw/zinc/97/43/86/599974386.db2.gz ZTODYHGLOBKWEU-HNNXBMFYSA-N -1 0 313.344 3.567 20 30 DHEDRM CCOc1ccc(O)c(C=Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000737204231 600146463 /nfs/dbraw/zinc/14/64/63/600146463.db2.gz VNLFHKGNPQDTJM-UHFFFAOYSA-N -1 0 313.353 3.559 20 30 DHEDRM C=CCOc1ccccc1CNc1nc(Cl)c(C(=O)[O-])s1 ZINC000736113930 600240101 /nfs/dbraw/zinc/24/01/01/600240101.db2.gz HENVRGONYYSTIQ-UHFFFAOYSA-N -1 0 324.789 3.672 20 30 DHEDRM O=C([O-])c1ccc(/C=C2\CCOc3ccc(Cl)cc3C2=O)o1 ZINC000740124427 600247027 /nfs/dbraw/zinc/24/70/27/600247027.db2.gz YJNPJXMJMAGWFO-VQHVLOKHSA-N -1 0 318.712 3.680 20 30 DHEDRM O=C([O-])Nc1ccc(CCN=Cc2cc(Cl)ccc2O)cc1 ZINC000740015399 600365853 /nfs/dbraw/zinc/36/58/53/600365853.db2.gz IZDMMIDLXJWHIU-VCHYOVAHSA-N -1 0 318.760 3.797 20 30 DHEDRM C=CCN(CC=C)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000736107912 600469190 /nfs/dbraw/zinc/46/91/90/600469190.db2.gz AHFVZRCVBADXSS-UHFFFAOYSA-N -1 0 322.430 3.950 20 30 DHEDRM O=C([O-])c1ccc2[nH]cc(CN=Nc3c(F)cccc3F)c2c1 ZINC000740189490 600473431 /nfs/dbraw/zinc/47/34/31/600473431.db2.gz KBWHTJXHCZJOIH-UHFFFAOYSA-N -1 0 315.279 3.590 20 30 DHEDRM N#Cc1ccc([C@H](NCc2cc3ccccc3s2)C(=O)[O-])cc1 ZINC000739104852 600596270 /nfs/dbraw/zinc/59/62/70/600596270.db2.gz DOPJKEJFJINNOO-KRWDZBQOSA-N -1 0 322.389 3.688 20 30 DHEDRM C=C(C)COc1cccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736094390 600597684 /nfs/dbraw/zinc/59/76/84/600597684.db2.gz DNZOJBXPAYHCPS-SFHVURJKSA-N -1 0 322.364 3.751 20 30 DHEDRM C[C@@H](CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)CC(C)(C)C ZINC000736555217 600612604 /nfs/dbraw/zinc/61/26/04/600612604.db2.gz CQXVXVLOSRFXRU-BLLLJJGKSA-N -1 0 317.385 3.690 20 30 DHEDRM C[C@H](Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000827767827 600751450 /nfs/dbraw/zinc/75/14/50/600751450.db2.gz LKTDXNMFXQGKER-ZDUSSCGKSA-N -1 0 309.369 3.841 20 30 DHEDRM COc1ccc(CNc2cccc(Cl)c2C#N)cc1C(=O)[O-] ZINC000832358471 600865934 /nfs/dbraw/zinc/86/59/34/600865934.db2.gz ZDMGYWUGCFGCQA-UHFFFAOYSA-N -1 0 316.744 3.531 20 30 DHEDRM O=C([O-])COc1ccc(C(=O)/C=C/c2ccccc2C2CC2)cc1 ZINC000833252837 601208292 /nfs/dbraw/zinc/20/82/92/601208292.db2.gz KCVJBEYGNGGVRU-FMIVXFBMSA-N -1 0 322.360 3.924 20 30 DHEDRM N#Cc1cccc([C@H](Nc2ccc3ccccc3c2)C(=O)[O-])c1 ZINC000833076811 601298256 /nfs/dbraw/zinc/29/82/56/601298256.db2.gz ZJXKJNQISOZNCZ-SFHVURJKSA-N -1 0 302.333 3.949 20 30 DHEDRM O=C([O-])c1cc(/C=C\C(=O)c2cc(Cl)ccc2Cl)c[nH]1 ZINC000833297325 601791471 /nfs/dbraw/zinc/79/14/71/601791471.db2.gz FKQXTGBERXZVJD-RJRFIUFISA-N -1 0 310.136 3.916 20 30 DHEDRM C[C@H](Oc1ccc(/C=C\C(=O)c2cccc(F)c2)cc1)C(=O)[O-] ZINC000794691978 602105676 /nfs/dbraw/zinc/10/56/76/602105676.db2.gz RLPIRTOVHVARSX-UMAGTOLTSA-N -1 0 314.312 3.574 20 30 DHEDRM C#Cc1cccc(N(C(=O)c2ccc(NC(=O)[O-])cc2)C(C)C)c1 ZINC000736091315 602272859 /nfs/dbraw/zinc/27/28/59/602272859.db2.gz PHRFUFGSWFZRNT-UHFFFAOYSA-N -1 0 322.364 3.813 20 30 DHEDRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)Nc2cccc(C#N)c2)cc1 ZINC000825443184 603251549 /nfs/dbraw/zinc/25/15/49/603251549.db2.gz ZOBXVTFCZZYGMB-LLVKDONJSA-N -1 0 324.340 3.531 20 30 DHEDRM C[C@H](Nc1ccc2c(c1)CN(C(=O)[O-])CC2)c1ccc(C#N)cc1 ZINC000825508191 603643280 /nfs/dbraw/zinc/64/32/80/603643280.db2.gz HIRLBSQFSWTLFL-ZDUSSCGKSA-N -1 0 321.380 3.767 20 30 DHEDRM C[C@H](NC(=O)[O-])c1ccc(CNc2ccc(C#N)cc2F)cc1 ZINC000825402055 604345977 /nfs/dbraw/zinc/34/59/77/604345977.db2.gz HLUXOZQAWJVUDI-NSHDSACASA-N -1 0 313.332 3.638 20 30 DHEDRM CC(C)(C)c1cnc(SCc2cccc(C(=O)[O-])c2C#N)o1 ZINC000833449589 604552342 /nfs/dbraw/zinc/55/23/42/604552342.db2.gz NHPCWWOYZYCROB-UHFFFAOYSA-N -1 0 316.382 3.834 20 30 DHEDRM C=CCC[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000825664537 604558255 /nfs/dbraw/zinc/55/82/55/604558255.db2.gz CZASQVUUTYIXRC-ZDUSSCGKSA-N -1 0 315.394 3.884 20 30 DHEDRM C=C(C)[C@@H](CC(=O)Nc1scc(C2CC2)c1C(=O)[O-])OCC ZINC000833368219 604620170 /nfs/dbraw/zinc/62/01/70/604620170.db2.gz CXLWIQZZWVLRRU-GFCCVEGCSA-N -1 0 323.414 3.634 20 30 DHEDRM CC(C)c1ncc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)s1 ZINC000827158854 604629095 /nfs/dbraw/zinc/62/90/95/604629095.db2.gz SJHVDQGAQRIGBR-BQYQJAHWSA-N -1 0 301.367 3.861 20 30 DHEDRM Cc1ccc([N+](=O)[O-])cc1N=NC(C)[C@H](C)CCCCC(=O)[O-] ZINC000814824215 604638861 /nfs/dbraw/zinc/63/88/61/604638861.db2.gz NBSGTDBPDOGMCL-LLVKDONJSA-N -1 0 321.377 3.972 20 30 DHEDRM C[C@H](C#N)Oc1ccc(CNc2cccc(NC(=O)[O-])c2)cc1 ZINC000825966377 604643453 /nfs/dbraw/zinc/64/34/53/604643453.db2.gz BGEDHRRRWXSBBA-GFCCVEGCSA-N -1 0 311.341 3.679 20 30 DHEDRM C[C@@H](C#N)Oc1ccc(CNc2cccc(NC(=O)[O-])c2)cc1 ZINC000825966378 604643592 /nfs/dbraw/zinc/64/35/92/604643592.db2.gz BGEDHRRRWXSBBA-LBPRGKRZSA-N -1 0 311.341 3.679 20 30 DHEDRM C#CC[C@@H](NC(=O)Nc1cccc(NC(=O)[O-])c1)c1ccccc1 ZINC000833360837 604656163 /nfs/dbraw/zinc/65/61/63/604656163.db2.gz PGKCPRSVIWTAHY-MRXNPFEDSA-N -1 0 323.352 3.663 20 30 DHEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000763368292 604665759 /nfs/dbraw/zinc/66/57/59/604665759.db2.gz LHXFXCXIHJUHGR-UHFFFAOYSA-N -1 0 323.274 3.635 20 30 DHEDRM C=C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1C)c1ccccc1 ZINC000683303866 604677866 /nfs/dbraw/zinc/67/78/66/604677866.db2.gz NFPAPPZHNIPRKU-CQSZACIVSA-N -1 0 309.365 3.992 20 30 DHEDRM C=C[C@@H](CC(=O)OCc1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC000833371004 604730141 /nfs/dbraw/zinc/73/01/41/604730141.db2.gz KIFBPRSLECQSQD-ZDUSSCGKSA-N -1 0 314.337 3.689 20 30 DHEDRM C=C[C@H](CC(=O)OCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000833371958 604730287 /nfs/dbraw/zinc/73/02/87/604730287.db2.gz YFNOCYJZLZEAIL-OAHLLOKOSA-N -1 0 310.349 3.788 20 30 DHEDRM C=C[C@H](CC(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000833371711 604732291 /nfs/dbraw/zinc/73/22/91/604732291.db2.gz VJQNNQNGTSODOO-QWHCGFSZSA-N -1 0 314.337 3.942 20 30 DHEDRM C=CCC[C@@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833372882 604791918 /nfs/dbraw/zinc/79/19/18/604791918.db2.gz AFKBHXXCJYYDHN-GOSISDBHSA-N -1 0 323.392 3.751 20 30 DHEDRM C=C[C@H](CC(=O)Nc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000833371422 604809917 /nfs/dbraw/zinc/80/99/17/604809917.db2.gz QDPTXBFNUOMAOI-LLVKDONJSA-N -1 0 301.367 3.745 20 30 DHEDRM C=C[C@H](CC(=O)Nc1ccc(F)cc1C(=O)[O-])c1ccccc1 ZINC000833371978 604812084 /nfs/dbraw/zinc/81/20/84/604812084.db2.gz YJIBZYURUCURDV-GFCCVEGCSA-N -1 0 313.328 3.822 20 30 DHEDRM C=C[C@H](CC(=O)N(C)C1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000431976581 604870578 /nfs/dbraw/zinc/87/05/78/604870578.db2.gz FHTWGPOXKLLQDP-OAHLLOKOSA-N -1 0 315.413 3.592 20 30 DHEDRM CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(O)cc1 ZINC000833386668 605156161 /nfs/dbraw/zinc/15/61/61/605156161.db2.gz QPBLMRVNCSCOKC-UHFFFAOYSA-N -1 0 304.733 3.580 20 30 DHEDRM C=CCOc1cccc(-c2nc3ccc(C(=O)[O-])cc3n2C)c1 ZINC000833377803 605319734 /nfs/dbraw/zinc/31/97/34/605319734.db2.gz NWOFDTQVAQRZRI-UHFFFAOYSA-N -1 0 308.337 3.503 20 30 DHEDRM CC(N=Nc1ccc2n[nH]cc2c1)[C@@H](C)CCCCC(=O)[O-] ZINC000814900068 605584557 /nfs/dbraw/zinc/58/45/57/605584557.db2.gz CCMFBHJFYRRHGV-NSHDSACASA-N -1 0 302.378 3.632 20 30 DHEDRM CCCCCCCNC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001589645391 949724887 /nfs/dbraw/zinc/72/48/87/949724887.db2.gz ZGEOOYVDKABKDW-HOTGVXAUSA-N -1 0 318.417 3.569 20 30 DHEDRM Cc1cc(NCc2ccc(N(C)CCC#N)cc2)ccc1C(=O)[O-] ZINC000840996605 955585216 /nfs/dbraw/zinc/58/52/16/955585216.db2.gz CUINMIXPKHBMRX-UHFFFAOYSA-N -1 0 323.396 3.655 20 30 DHEDRM N#Cc1cc2ccccc2cc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC001594617015 956244740 /nfs/dbraw/zinc/24/47/40/956244740.db2.gz AVXCLMUPTBDLAY-UHFFFAOYSA-N -1 0 316.316 3.662 20 30 DHEDRM Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccc(C(=O)[O-])cc1)CO2 ZINC000063411992 957637769 /nfs/dbraw/zinc/63/77/69/957637769.db2.gz CBDJSEVVJCORTL-DHDCSXOGSA-N -1 0 308.333 3.660 20 30 DHEDRM O=C([O-])COc1ccc(/C=C/C(=O)c2c[nH]c3ccccc23)cc1 ZINC000066251655 957644900 /nfs/dbraw/zinc/64/49/00/957644900.db2.gz PMDPHROONYNAKE-JXMROGBWSA-N -1 0 321.332 3.527 20 30 DHEDRM C=CCCC1(CNC(=O)[C@H](C(=O)[O-])C2CCCC2)CCCC1 ZINC001588457386 958449795 /nfs/dbraw/zinc/44/97/95/958449795.db2.gz XQTDXBSUEPUHHX-OAHLLOKOSA-N -1 0 307.434 3.520 20 30 DHEDRM C=CCCC1(CNC(=O)c2coc(/C=C\C(=O)[O-])c2)CCCC1 ZINC001588458470 958463578 /nfs/dbraw/zinc/46/35/78/958463578.db2.gz POAJJZUEXBWRMB-SREVYHEPSA-N -1 0 317.385 3.634 20 30 DHEDRM CC(C)Oc1ccc(C#N)cc1NCc1cccc(C(=O)[O-])c1 ZINC001573555012 959252396 /nfs/dbraw/zinc/25/23/96/959252396.db2.gz UJODNLAEGGMXHY-UHFFFAOYSA-N -1 0 310.353 3.656 20 30 DHEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2c[nH]c3ccccc23)cc1 ZINC000211529509 959691398 /nfs/dbraw/zinc/69/13/98/959691398.db2.gz PMDPHROONYNAKE-YFHOEESVSA-N -1 0 321.332 3.527 20 30 DHEDRM CCCCCCCC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000236841509 960771916 /nfs/dbraw/zinc/77/19/16/960771916.db2.gz MGKHDJGEXSQUGM-OAHLLOKOSA-N -1 0 309.381 3.818 20 30 DHEDRM C=C(C)CCC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001345756100 962285747 /nfs/dbraw/zinc/28/57/47/962285747.db2.gz ZENRSECFXBIIKM-UHFFFAOYSA-N -1 0 307.415 3.689 20 30 DHEDRM C=C(C)C[C@@H](Nc1ccc(-c2ccc(Cl)s2)nn1)C(=O)[O-] ZINC001573324852 962790085 /nfs/dbraw/zinc/79/00/85/962790085.db2.gz ZYXXGKBZGYWXLS-SNVBAGLBSA-N -1 0 323.805 3.690 20 30 DHEDRM C=C(CC(C)C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001573326327 962802512 /nfs/dbraw/zinc/80/25/12/962802512.db2.gz VHEZYKIADFGTJP-HNNXBMFYSA-N -1 0 303.402 3.557 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC001573332543 962836525 /nfs/dbraw/zinc/83/65/25/962836525.db2.gz OSVCZCPPLSGMJB-KBXCAEBGSA-N -1 0 315.413 3.716 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC001573337816 962867626 /nfs/dbraw/zinc/86/76/26/962867626.db2.gz RXQXSOVTZQCHSG-UHFFFAOYSA-N -1 0 315.291 3.541 20 30 DHEDRM C=C1CCC(C(=O)Nc2cc(F)cc(Cl)c2C(=O)[O-])CC1 ZINC001573344435 962918840 /nfs/dbraw/zinc/91/88/40/962918840.db2.gz YEEGIEKBMQMHPU-UHFFFAOYSA-N -1 0 311.740 3.862 20 30 DHEDRM C=CCCC[C@@H](NC(=O)/C(C)=C/C1CCC(C)CC1)C(=O)[O-] ZINC001573357765 963021992 /nfs/dbraw/zinc/02/19/92/963021992.db2.gz SECBTEONEXHNRA-JNJBLNKMSA-N -1 0 307.434 3.685 20 30 DHEDRM C=CCCC[C@H](NC(=O)[C@H](CC(C)C)c1ccccc1)C(=O)[O-] ZINC001573358019 963024283 /nfs/dbraw/zinc/02/42/83/963024283.db2.gz VYUPRJNOBSKBLT-SJORKVTESA-N -1 0 317.429 3.742 20 30 DHEDRM C=CCCC[C@@H](NC(=O)[C@@H](CC(C)C)c1ccccc1)C(=O)[O-] ZINC001573358015 963024822 /nfs/dbraw/zinc/02/48/22/963024822.db2.gz VYUPRJNOBSKBLT-DLBZAZTESA-N -1 0 317.429 3.742 20 30 DHEDRM C=CCCC[C@@H](NC(=O)c1cc2cc(F)ccc2s1)C(=O)[O-] ZINC001573367134 963064047 /nfs/dbraw/zinc/06/40/47/963064047.db2.gz SFDCTFLDMARKCT-GFCCVEGCSA-N -1 0 321.373 3.580 20 30 DHEDRM C=CCN(Cc1ccc(Cl)s1)Cc1ccc(C(=O)[O-])n1C ZINC001573367846 963070727 /nfs/dbraw/zinc/07/07/27/963070727.db2.gz BZGONSYYHZVYBP-UHFFFAOYSA-N -1 0 324.833 3.626 20 30 DHEDRM Cc1cc(N=Cc2ccc(O)c(O)c2O)c2cccnc2c1C ZINC000255068252 1013622065 /nfs/dbraw/zinc/62/20/65/1013622065.db2.gz LTOVFENFTJQXHP-UHFFFAOYSA-N -1 0 308.337 3.719 20 30 DHEDRM Cc1c(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)cccc1[N+](=O)[O-] ZINC000255073650 1013627595 /nfs/dbraw/zinc/62/75/95/1013627595.db2.gz NTWPJRPIYXNYQX-WAYWQWQTSA-N -1 0 319.263 3.783 20 30 DHEDRM COc1cc(/C=C\C(=O)c2ccc(O)cc2[O-])ccc1SC ZINC000255091044 1013684748 /nfs/dbraw/zinc/68/47/48/1013684748.db2.gz PVYVVJCSYQGQQZ-CLTKARDFSA-N -1 0 316.378 3.724 20 30 DHEDRM CCOc1cc(/C=C\C(=O)c2ccc([O-])c(F)c2)ccc1OC ZINC000255098831 1013695169 /nfs/dbraw/zinc/69/51/69/1013695169.db2.gz UNTJTNZNNVPXNU-DAXSKMNVSA-N -1 0 316.328 3.835 20 30 DHEDRM CCC(CSc1ccc(Cl)cc1)=NN[C@@H](CC)C(=O)[O-] ZINC000793080978 1013697535 /nfs/dbraw/zinc/69/75/35/1013697535.db2.gz FYNBBJDDWHGZGE-ZDUSSCGKSA-N -1 0 314.838 3.651 20 30 DHEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cccc(Cl)c1Cl ZINC000073838143 1020400643 /nfs/dbraw/zinc/40/06/43/1020400643.db2.gz CUTWEFQIDZBVKI-UHFFFAOYSA-N -1 0 324.229 3.816 20 30 DHEDRM O=C(C=Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1Cl ZINC000048575975 1013851568 /nfs/dbraw/zinc/85/15/68/1013851568.db2.gz VWPZOTYEJFOUIV-ZHACJKMWSA-N -1 0 321.785 3.699 20 30 DHEDRM O=C([N-]S(=O)(=O)c1cccs1)C1CCCCCCC1 ZINC000076756629 1013853273 /nfs/dbraw/zinc/85/32/73/1013853273.db2.gz DXXAVEHJINYXOJ-UHFFFAOYSA-N -1 0 301.433 3.754 20 30 DHEDRM Cc1nc(C([O-])=C(C#N)c2nc(C(C)C)cs2)sc1C ZINC000683689830 1013857374 /nfs/dbraw/zinc/85/73/74/1013857374.db2.gz PWUNWPVZJZFIGD-JTQLQIEISA-N -1 0 305.428 3.830 20 30 DHEDRM C[C@@H](C(=O)[N-]S(=O)(=O)C1CCCCC1)c1cccc(F)c1 ZINC000076905460 1013854914 /nfs/dbraw/zinc/85/49/14/1013854914.db2.gz ZQZSQNOWEZANRV-LLVKDONJSA-N -1 0 313.394 3.548 20 30 DHEDRM CC(C)(O)C(C)(C)NC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000331224902 1013863160 /nfs/dbraw/zinc/86/31/60/1013863160.db2.gz BWPZPEBBDSOFAC-UHFFFAOYSA-N -1 0 306.189 3.553 20 30 DHEDRM C[C@@H]1CCC[C@@]1(O)CNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000331246886 1013870859 /nfs/dbraw/zinc/87/08/59/1013870859.db2.gz VLBQQIMKFQSPJW-XLKFXECMSA-N -1 0 318.200 3.555 20 30 DHEDRM C=CC[C@@H]1N(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCCC1(C)C ZINC000331302676 1013874302 /nfs/dbraw/zinc/87/43/02/1013874302.db2.gz SITNKHUFPZVGTL-AWEZNQCLSA-N -1 0 318.373 3.507 20 30 DHEDRM C=CCN(Cc1ccccc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000027775975 1013918684 /nfs/dbraw/zinc/91/86/84/1013918684.db2.gz RYXKQDZPCOJRKK-UHFFFAOYSA-N -1 0 311.410 3.585 20 30 DHEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(F)c(Cl)c1 ZINC000748146164 1014023525 /nfs/dbraw/zinc/02/35/25/1014023525.db2.gz DULFDPNBHQUUMY-KXFIGUGUSA-N -1 0 321.691 3.989 20 30 DHEDRM N#Cc1ccc(CN2C[C@H](CCC(=O)[O-])Cc3ccccc32)cc1 ZINC001605602266 973912180 /nfs/dbraw/zinc/91/21/80/973912180.db2.gz WICUCHIJYRZOBP-QGZVFWFLSA-N -1 0 320.392 3.602 20 30 DHEDRM CC(C)Oc1cccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC001591795964 976005502 /nfs/dbraw/zinc/00/55/02/976005502.db2.gz XCUQLIXXNRQMFA-QGZVFWFLSA-N -1 0 310.353 3.583 20 30 DHEDRM CC(C)c1ccc2c(c1)C(=O)/C(=C\c1ccoc1C(=O)[O-])CO2 ZINC001591974359 976587252 /nfs/dbraw/zinc/58/72/52/976587252.db2.gz VGVFISRQBUBJMS-QPEQYQDCSA-N -1 0 312.321 3.760 20 30 DHEDRM N#Cc1cccc(CSc2nc3ccc(C(=O)[O-])cc3o2)c1 ZINC000739134069 978619234 /nfs/dbraw/zinc/61/92/34/978619234.db2.gz UKTMEOGTFUYCSU-UHFFFAOYSA-N -1 0 310.334 3.690 20 30 DHEDRM CCn1c2ccccc2nc1C(C)=NNc1cccc(C(=O)[O-])c1 ZINC000741451853 978676221 /nfs/dbraw/zinc/67/62/21/978676221.db2.gz XIKWBKNQEPQEGK-UHFFFAOYSA-N -1 0 322.368 3.591 20 30 DHEDRM Cc1nc2ccc(C=NNc3cccc(C(=O)[O-])c3)cc2s1 ZINC000754902332 978696431 /nfs/dbraw/zinc/69/64/31/978696431.db2.gz YHHUXWRAIPUZCU-UHFFFAOYSA-N -1 0 311.366 3.749 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1N=NCC[C@@H](C)c1ccccc1 ZINC000756906044 978702293 /nfs/dbraw/zinc/70/22/93/978702293.db2.gz RDWFRXYWIQFIED-CYBMUJFWSA-N -1 0 312.369 3.985 20 30 DHEDRM O=C([O-])c1ccc(N=NC2CCCc3c(Cl)cccc32)nc1 ZINC000758129257 978703902 /nfs/dbraw/zinc/70/39/02/978703902.db2.gz OHEDCNMOYAEFBP-UHFFFAOYSA-N -1 0 315.760 3.586 20 30 DHEDRM Cc1cccc2c1[C@H](C)/C(=C/c1ccc(OCC(=O)[O-])cc1)C2=O ZINC000766696330 978724429 /nfs/dbraw/zinc/72/44/29/978724429.db2.gz QQWIKNUZLFLHIO-OMJMQIJPSA-N -1 0 322.360 3.842 20 30 DHEDRM O=C([O-])c1cccc(/C=C\C(=O)c2c[nH]c3cc(F)ccc23)c1 ZINC000774138720 978746914 /nfs/dbraw/zinc/74/69/14/978746914.db2.gz MURIBQXXCHOJCY-DAXSKMNVSA-N -1 0 309.296 3.901 20 30 DHEDRM C[C@@H]1C(N=Nc2ccccc2C(F)(F)F)CC[C@H]1CC(=O)[O-] ZINC000814688628 978872372 /nfs/dbraw/zinc/87/23/72/978872372.db2.gz GNSKSSCVZREYAN-UWVGGRQHSA-N -1 0 314.307 3.994 20 30 DHEDRM C[C@H]1C(N=Nc2ccccc2C(F)(F)F)CC[C@H]1CC(=O)[O-] ZINC000814688630 978872479 /nfs/dbraw/zinc/87/24/79/978872479.db2.gz GNSKSSCVZREYAN-ZJUUUORDSA-N -1 0 314.307 3.994 20 30 DHEDRM COc1ccc(N=NC2CC[C@@H](CC(=O)[O-])[C@@H]2C)cc1Cl ZINC000814902893 978897336 /nfs/dbraw/zinc/89/73/36/978897336.db2.gz YHHNHHXQYPWWKG-UWVGGRQHSA-N -1 0 310.781 3.637 20 30 DHEDRM CC(C)[C@H](Cc1ccccc1)NN=C1CC[C@@H](CC(=O)[O-])[C@H]1C ZINC000814906625 978898074 /nfs/dbraw/zinc/89/80/74/978898074.db2.gz CDCBSBALDOMFBP-HFTRVMKXSA-N -1 0 316.445 3.720 20 30 DHEDRM C=C1CCC(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)CC1 ZINC000909336577 981470596 /nfs/dbraw/zinc/47/05/96/981470596.db2.gz ZVCNCKOZTKLFHI-UHFFFAOYSA-N -1 0 317.385 3.615 20 30 DHEDRM C=CC(C)(C)CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000909372478 981475950 /nfs/dbraw/zinc/47/59/50/981475950.db2.gz XYNCAPZEVHBAOE-ZDUSSCGKSA-N -1 0 309.793 3.574 20 30 DHEDRM CCCCCCCC(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001595702819 982265535 /nfs/dbraw/zinc/26/55/35/982265535.db2.gz MWLHEOJFHFJYJX-MRXNPFEDSA-N -1 0 309.381 3.737 20 30 DHEDRM CCCCCCCCNC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001595704478 982274971 /nfs/dbraw/zinc/27/49/71/982274971.db2.gz PQIZJTXWDQVXSN-UHFFFAOYSA-N -1 0 324.421 3.788 20 30 DHEDRM CCCCCCCCCCn1cc(C(=O)[O-])cc(C#N)c1=O ZINC001595704584 982276982 /nfs/dbraw/zinc/27/69/82/982276982.db2.gz BZXXMZWFHXTSGM-UHFFFAOYSA-N -1 0 304.390 3.559 20 30 DHEDRM CCCCCCC[C@H](C)CNC(=O)c1csc(C(=O)[O-])n1 ZINC001595704664 982277750 /nfs/dbraw/zinc/27/77/50/982277750.db2.gz GGCZMMRQQPBVQJ-NSHDSACASA-N -1 0 312.435 3.568 20 30 DHEDRM CCCCCCCCCNC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001595705355 982284814 /nfs/dbraw/zinc/28/48/14/982284814.db2.gz XVNTZXCGFDUNQI-FPCVCCKLSA-N -1 0 324.465 3.536 20 30 DHEDRM CCC(C#N)(CC)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC000923105958 982728439 /nfs/dbraw/zinc/72/84/39/982728439.db2.gz WXDITEHJNXFEOG-UHFFFAOYSA-N -1 0 310.353 3.806 20 30 DHEDRM CCCNc1ccc(C#N)cc1NCc1cc(C(=O)[O-])c(C)o1 ZINC001595936783 983078951 /nfs/dbraw/zinc/07/89/51/983078951.db2.gz OWYIJLBHPAAQSC-UHFFFAOYSA-N -1 0 313.357 3.592 20 30 DHEDRM C#C[C@@](C)(CC)N[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001588367098 983296489 /nfs/dbraw/zinc/29/64/89/983296489.db2.gz ISNSLULEVPSVQO-JSGCOSHPSA-N -1 0 300.185 3.511 20 30 DHEDRM C#C[C@@](C)(CC)N[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001588367481 983299358 /nfs/dbraw/zinc/29/93/58/983299358.db2.gz VKNVIGCKZOBJIL-OCCSQVGLSA-N -1 0 300.185 3.511 20 30 DHEDRM C#C[C@@H](NCc1ccsc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001588376162 983350247 /nfs/dbraw/zinc/35/02/47/983350247.db2.gz BQLNFDKNNIQJAJ-CYBMUJFWSA-N -1 0 305.786 3.564 20 30 DHEDRM C#C[C@@H](NCc1ccc(C(=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC001588377479 983357399 /nfs/dbraw/zinc/35/73/99/983357399.db2.gz MKQNMLPGHFUDNA-MRXNPFEDSA-N -1 0 317.747 3.641 20 30 DHEDRM C=C(C)C[C@H](Nc1nc2cc(Cl)cc(Cl)c2o1)C(=O)[O-] ZINC001588554346 983630241 /nfs/dbraw/zinc/63/02/41/983630241.db2.gz DRTDBALAZXPHGB-JTQLQIEISA-N -1 0 315.156 3.966 20 30 DHEDRM C=C(C)CCNC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001588559420 983640250 /nfs/dbraw/zinc/64/02/50/983640250.db2.gz OOOURQTYSWUPAB-UHFFFAOYSA-N -1 0 304.371 3.687 20 30 DHEDRM C=C(C)CN(C)C(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001588561527 983641951 /nfs/dbraw/zinc/64/19/51/983641951.db2.gz JCOBCUHYVJSXCC-UHFFFAOYSA-N -1 0 309.365 3.700 20 30 DHEDRM C=C(C)COc1cccc(N[C@H](C(=O)[O-])c2ccsc2)c1 ZINC001588573535 983653013 /nfs/dbraw/zinc/65/30/13/983653013.db2.gz PLFJLMJCHTUSGO-HNNXBMFYSA-N -1 0 303.383 3.941 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC001588629226 983735908 /nfs/dbraw/zinc/73/59/08/983735908.db2.gz BZJKIKGBQSMVBL-UHFFFAOYSA-N -1 0 313.328 3.852 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC001588633647 983750458 /nfs/dbraw/zinc/75/04/58/983750458.db2.gz LMRJTNMWACUZNY-UHFFFAOYSA-N -1 0 321.348 3.507 20 30 DHEDRM C=C1CCC(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)CC1 ZINC001588644528 983770135 /nfs/dbraw/zinc/77/01/35/983770135.db2.gz YTWXFTRCVWXKSC-SFHVURJKSA-N -1 0 323.392 3.828 20 30 DHEDRM C=C1CCN(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CC1 ZINC001588649920 983770834 /nfs/dbraw/zinc/77/08/34/983770834.db2.gz LSSZXRFGULKGHR-UHFFFAOYSA-N -1 0 310.353 3.722 20 30 DHEDRM C=C1CCC(CNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC001588649994 983771331 /nfs/dbraw/zinc/77/13/31/983771331.db2.gz REAIRIOWYNODMY-UHFFFAOYSA-N -1 0 322.792 3.906 20 30 DHEDRM C=C[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC001588662995 983792431 /nfs/dbraw/zinc/79/24/31/983792431.db2.gz BAIQBAKFLNHVAS-CYBMUJFWSA-N -1 0 315.756 3.947 20 30 DHEDRM C=C[C@H](C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccccc1 ZINC001588664567 983801756 /nfs/dbraw/zinc/80/17/56/983801756.db2.gz RSSKZAALFPBMQT-WBAXXEDZSA-N -1 0 323.392 3.534 20 30 DHEDRM C=CC(C)(C)CNC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001588677143 983834119 /nfs/dbraw/zinc/83/41/19/983834119.db2.gz TUZHOOKRVNHXIY-UHFFFAOYSA-N -1 0 312.369 3.872 20 30 DHEDRM C=C[C@H](CC(=O)Nc1cc(C)cc(C(=O)[O-])c1)c1ccccc1 ZINC001588690768 983876746 /nfs/dbraw/zinc/87/67/46/983876746.db2.gz LCMCGXFXYIHNLM-CQSZACIVSA-N -1 0 309.365 3.992 20 30 DHEDRM C=C[C@H](CC)CC(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001588691249 983879089 /nfs/dbraw/zinc/87/90/89/983879089.db2.gz VMJZUZXKBVNZGH-PXAZEXFGSA-N -1 0 323.820 3.748 20 30 DHEDRM C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001588718718 983957813 /nfs/dbraw/zinc/95/78/13/983957813.db2.gz FQQZOONUGYTBML-OAHLLOKOSA-N -1 0 316.401 3.621 20 30 DHEDRM C=CC1(CC(=O)Oc2ccc(CC(=O)[O-])cc2F)CCCCC1 ZINC001588719238 983959919 /nfs/dbraw/zinc/95/99/19/983959919.db2.gz NZCOJIYYYIYFGI-UHFFFAOYSA-N -1 0 320.360 3.885 20 30 DHEDRM C=CC1(CC(=O)Nc2ccc(C(=O)[O-])c(OC)c2)CCCCC1 ZINC001588719478 983960901 /nfs/dbraw/zinc/96/09/01/983960901.db2.gz ULQGTTZGTFJMQV-UHFFFAOYSA-N -1 0 317.385 3.859 20 30 DHEDRM C=C[C@@H]1CCCCN1C(=O)Nc1sc(CC)cc1C(=O)[O-] ZINC001588719701 983962259 /nfs/dbraw/zinc/96/22/59/983962259.db2.gz WYSSNBMATJLMCJ-SNVBAGLBSA-N -1 0 308.403 3.581 20 30 DHEDRM C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])cc1CC ZINC001588719647 983962335 /nfs/dbraw/zinc/96/23/35/983962335.db2.gz WQYPMQPBGWTSBT-CQSZACIVSA-N -1 0 302.374 3.520 20 30 DHEDRM C=CCC(C)(C)CNC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001588736511 984025404 /nfs/dbraw/zinc/02/54/04/984025404.db2.gz MGYWANLLMCZFOG-ZDUSSCGKSA-N -1 0 318.417 3.674 20 30 DHEDRM C=CCC(F)(F)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001588742665 984033927 /nfs/dbraw/zinc/03/39/27/984033927.db2.gz HYNQBSNHWCGLMO-UHFFFAOYSA-N -1 0 324.110 3.842 20 30 DHEDRM C=CC[C@H](Sc1nccn1-c1cccc(C)c1C)C(=O)[O-] ZINC001588758873 984107970 /nfs/dbraw/zinc/10/79/70/984107970.db2.gz LCDIFVSSFZUWJF-AWEZNQCLSA-N -1 0 302.399 3.611 20 30 DHEDRM C=CCC1(NC(=O)Nc2ccc(C(=O)[O-])cc2CC)CCCC1 ZINC001588767322 984129956 /nfs/dbraw/zinc/12/99/56/984129956.db2.gz VGARAIZWCAQACT-UHFFFAOYSA-N -1 0 316.401 3.958 20 30 DHEDRM C=CCC1(NC(=O)CCc2ccccc2C(=O)[O-])CCCCC1 ZINC001588767324 984130048 /nfs/dbraw/zinc/13/00/48/984130048.db2.gz VIRAEAREMKHXAP-UHFFFAOYSA-N -1 0 315.413 3.713 20 30 DHEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001588770623 984135047 /nfs/dbraw/zinc/13/50/47/984135047.db2.gz BLGFWXYQSTXGJU-XHDPSFHLSA-N -1 0 320.364 3.780 20 30 DHEDRM C=CCCC[C@H](NC(=O)CCCc1cc(C)sc1C)C(=O)[O-] ZINC001588788633 984191671 /nfs/dbraw/zinc/19/16/71/984191671.db2.gz ITNYIBRHMRSZNU-HNNXBMFYSA-N -1 0 323.458 3.613 20 30 DHEDRM C=CCCC[C@H](NC(=O)c1ccc(-c2ccco2)s1)C(=O)[O-] ZINC001588792726 984212086 /nfs/dbraw/zinc/21/20/86/984212086.db2.gz MYXJNEVBSWHWLF-NSHDSACASA-N -1 0 319.382 3.547 20 30 DHEDRM C=CCCCCCN(C)c1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC001588799819 984242614 /nfs/dbraw/zinc/24/26/14/984242614.db2.gz KJXFEPHULFTFLT-UHFFFAOYSA-N -1 0 306.362 3.784 20 30 DHEDRM C=CCCN(Cc1csc(C(=O)[O-])c1)OCc1ccccc1 ZINC001588807149 984258270 /nfs/dbraw/zinc/25/82/70/984258270.db2.gz AAOKISRBJHOBKQ-UHFFFAOYSA-N -1 0 317.410 3.956 20 30 DHEDRM CC#CCCCC(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001588926963 984595189 /nfs/dbraw/zinc/59/51/89/984595189.db2.gz FNPOTFMFOZRKGH-UHFFFAOYSA-N -1 0 319.426 3.847 20 30 DHEDRM Cc1ccc(C)c(C(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)c1 ZINC000077881063 1015214275 /nfs/dbraw/zinc/21/42/75/1015214275.db2.gz SWRVHTHTSZNYIO-CQSZACIVSA-N -1 0 317.410 3.699 20 30 DHEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)s1 ZINC000121465259 1015343028 /nfs/dbraw/zinc/34/30/28/1015343028.db2.gz RPJVRCRQJBYHMH-LBPRGKRZSA-N -1 0 320.458 3.674 20 30 DHEDRM CC(=O)Nc1ccc(/C=C\C(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000255395410 1015601146 /nfs/dbraw/zinc/60/11/46/1015601146.db2.gz NPQAQNMALPEGCU-YWEYNIOJSA-N -1 0 315.756 3.900 20 30 DHEDRM N#Cc1ccc(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)cc1O ZINC000341786142 1015733693 /nfs/dbraw/zinc/73/36/93/1015733693.db2.gz BGYXVIWXDITTJH-HNNXBMFYSA-N -1 0 312.756 3.504 20 30 DHEDRM COc1cccc(CS[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC001599675883 994896976 /nfs/dbraw/zinc/89/69/76/994896976.db2.gz BINNHBIZNGYCNF-INIZCTEOSA-N -1 0 313.378 3.626 20 30 DHEDRM COc1cccc(O)c1C=Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001599680276 994969293 /nfs/dbraw/zinc/96/92/93/994969293.db2.gz JJDZBUKMHGDDEZ-UHFFFAOYSA-N -1 0 323.707 3.642 20 30 DHEDRM COc1ccc(O)c(C(=O)/C=C\c2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000255420142 1015916816 /nfs/dbraw/zinc/91/68/16/1015916816.db2.gz VRHZTAZVLQOQNG-QGOGUYACSA-N -1 0 323.348 3.588 20 30 DHEDRM N#Cc1ccccc1[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000588481430 1015964580 /nfs/dbraw/zinc/96/45/80/1015964580.db2.gz NAYUMZAPHQAWIL-HJWRWDBZSA-N -1 0 318.785 3.624 20 30 DHEDRM N#CCC[C@@H](N=c1[n-]c(-c2ccccc2)no1)c1ccccc1 ZINC000610969455 1015969286 /nfs/dbraw/zinc/96/92/86/1015969286.db2.gz QVKNVENYMJUSMH-MRXNPFEDSA-N -1 0 304.353 3.615 20 30 DHEDRM C=CCCOc1ccccc1-c1cnn([C@@H](C)CC(=O)[O-])c1 ZINC000657205512 1016039875 /nfs/dbraw/zinc/03/98/75/1016039875.db2.gz UFQLIMVIBAKHLF-ZDUSSCGKSA-N -1 0 300.358 3.541 20 30 DHEDRM COCC[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599220356 997656531 /nfs/dbraw/zinc/65/65/31/997656531.db2.gz FIQAKHLIWQCKEP-JTQLQIEISA-N -1 0 310.781 3.643 20 30 DHEDRM COc1ccc(C=NNc2cccc(F)c2C(=O)[O-])c(Cl)c1 ZINC001599543497 997883933 /nfs/dbraw/zinc/88/39/33/997883933.db2.gz INTIAVFWKRWZKE-UHFFFAOYSA-N -1 0 322.723 3.632 20 30 DHEDRM Cc1cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c(C)c(C)c1O ZINC000588506969 1016404934 /nfs/dbraw/zinc/40/49/34/1016404934.db2.gz PNHYBBIKPMDOBM-UHFFFAOYSA-N -1 0 300.314 3.682 20 30 DHEDRM Cc1c(C#N)ccnc1NCc1cc(Cl)c2cccnc2c1O ZINC001168528325 1016950779 /nfs/dbraw/zinc/95/07/79/1016950779.db2.gz SXUYXDOUNYBHOK-UHFFFAOYSA-N -1 0 324.771 3.781 20 30 DHEDRM CC(C)c1ncc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)s1 ZINC000122233262 1032519928 /nfs/dbraw/zinc/51/99/28/1032519928.db2.gz PLDCGUNEVSZVMF-SNVBAGLBSA-N -1 0 310.382 3.633 20 30 DHEDRM C=CCOc1ccccc1[C@H](C)Nc1cnc(C(=O)[O-])c(C)c1 ZINC001171376037 1032542130 /nfs/dbraw/zinc/54/21/30/1032542130.db2.gz LMMUUFBJVMDVFO-ZDUSSCGKSA-N -1 0 312.369 3.826 20 30 DHEDRM COc1cc(C)c(C=CC(=O)c2sccc2[O-])cc1OC ZINC000773143355 1032575087 /nfs/dbraw/zinc/57/50/87/1032575087.db2.gz RFRPTXJZLOTFKY-PLNGDYQASA-N -1 0 304.367 3.675 20 30 DHEDRM CCn1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3s2)c1C ZINC000339354425 1011977800 /nfs/dbraw/zinc/97/78/00/1011977800.db2.gz FYTQFZXPXFJMIW-LBPRGKRZSA-N -1 0 324.409 3.620 20 30 DHEDRM N#Cc1cccc(O)c1Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211490397 1012095659 /nfs/dbraw/zinc/09/56/59/1012095659.db2.gz WHZYPPNARWBNNL-UHFFFAOYSA-N -1 0 322.242 3.724 20 30 DHEDRM CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000073087402 1017138814 /nfs/dbraw/zinc/13/88/14/1017138814.db2.gz HFZRNVYLLVIPEX-MRVPVSSYSA-N -1 0 324.229 3.931 20 30 DHEDRM N#CC(=C([O-])C=Cc1ccnc(Cl)c1)c1nc2ccccc2o1 ZINC000255522414 1017178716 /nfs/dbraw/zinc/17/87/16/1017178716.db2.gz WJSXXGMUOWOQIG-FOQNGQEVSA-N -1 0 323.739 3.766 20 30 DHEDRM CCOc1cccc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000208045744 1017273136 /nfs/dbraw/zinc/27/31/36/1017273136.db2.gz CBWUUNAALRXRGL-VURMDHGXSA-N -1 0 313.309 3.595 20 30 DHEDRM O=C(C=CC1CC1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000076765837 1017414030 /nfs/dbraw/zinc/41/40/30/1017414030.db2.gz CHTXZZNSPLXFQX-VOTSOKGWSA-N -1 0 320.197 3.605 20 30 DHEDRM CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000073288765 1017640024 /nfs/dbraw/zinc/64/00/24/1017640024.db2.gz FRSZBKYIUMOHRF-LBPRGKRZSA-N -1 0 307.415 3.552 20 30 DHEDRM CC(C)c1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cs1 ZINC000171145498 1017876569 /nfs/dbraw/zinc/87/65/69/1017876569.db2.gz POUUEQFXLJCDRM-JTQLQIEISA-N -1 0 310.382 3.633 20 30 DHEDRM COc1nc2ccccc2cc1/C=C\C(=O)c1ccc([O-])c(F)c1 ZINC000764106818 1018160006 /nfs/dbraw/zinc/16/00/06/1018160006.db2.gz DMYRFSNFDYVQJX-FPLPWBNLSA-N -1 0 323.323 3.984 20 30 DHEDRM COc1ccc(C(=O)/C=C\c2ccccc2C)cc1CC(=O)[O-] ZINC000213553930 1018255973 /nfs/dbraw/zinc/25/59/73/1018255973.db2.gz FOTSXRBGZMNZSU-CLFYSBASSA-N -1 0 310.349 3.527 20 30 DHEDRM COc1ccc(C(=O)/C=C\c2ccc(C)cc2C)cc1CC(=O)[O-] ZINC000213556411 1018257533 /nfs/dbraw/zinc/25/75/33/1018257533.db2.gz ZKOURNWLSXLKLX-VURMDHGXSA-N -1 0 324.376 3.835 20 30 DHEDRM C=CCn1c(=O)[nH]nc1SCc1ccc(C2CCC2)cc1 ZINC000447287861 1018361424 /nfs/dbraw/zinc/36/14/24/1018361424.db2.gz QBKOLUVDDDZKLE-UHFFFAOYSA-N -1 0 301.415 3.730 20 30 DHEDRM Cc1ncccc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000676104141 1018665079 /nfs/dbraw/zinc/66/50/79/1018665079.db2.gz UQUJRVPRDWFMOJ-GFCCVEGCSA-N -1 0 311.341 3.629 20 30 DHEDRM C=CCN(CC1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000151306953 1018809237 /nfs/dbraw/zinc/80/92/37/1018809237.db2.gz HBMRARRJUPNPEF-UHFFFAOYSA-N -1 0 318.373 3.509 20 30 DHEDRM C#CCC1(C(=O)Nc2cc(C(=O)[O-])sc2C)CCCCC1 ZINC000923095059 1019024508 /nfs/dbraw/zinc/02/45/08/1019024508.db2.gz OAFZNSOECFVOTF-UHFFFAOYSA-N -1 0 305.399 3.667 20 30 DHEDRM CC(C)C[C@](C)(C#N)[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000875454647 1032843005 /nfs/dbraw/zinc/84/30/05/1032843005.db2.gz ZUYXXYFIKYYONG-CQSZACIVSA-N -1 0 316.298 3.501 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2cnn(C(C)C)c2C2CC2)n1 ZINC000161883505 1019642029 /nfs/dbraw/zinc/64/20/29/1019642029.db2.gz BVCWTXQSBDDZDQ-LBPRGKRZSA-N -1 0 314.414 3.596 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(OC(F)F)cc2)c1 ZINC000255648298 1020177500 /nfs/dbraw/zinc/17/75/00/1020177500.db2.gz RYEQBIIPSLGDPX-UHFFFAOYSA-N -1 0 308.240 3.652 20 30 DHEDRM N#CC[C@@H](NCc1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000922647703 1020189934 /nfs/dbraw/zinc/18/99/34/1020189934.db2.gz WCDLXZHDMRCMLI-SECBINFHSA-N -1 0 313.106 3.633 20 30 DHEDRM COc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccc1F ZINC000647378395 1020249569 /nfs/dbraw/zinc/24/95/69/1020249569.db2.gz WGBUYKVQYRZZLE-LLVKDONJSA-N -1 0 316.357 3.658 20 30 DHEDRM Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccc1F ZINC000647377861 1020256766 /nfs/dbraw/zinc/25/67/66/1020256766.db2.gz XQBZROFEKWZMMJ-GFCCVEGCSA-N -1 0 300.358 3.958 20 30 DHEDRM CO[C@@H](C)c1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000255756230 1020353373 /nfs/dbraw/zinc/35/33/73/1020353373.db2.gz RFBDDZMPTHOOIL-NSHDSACASA-N -1 0 300.314 3.758 20 30 DHEDRM Cc1noc(C)c1[C@H](C)/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000733750040 1020436766 /nfs/dbraw/zinc/43/67/66/1020436766.db2.gz KHDYOYOARSFXDA-FGIHVMRQSA-N -1 0 323.736 3.739 20 30 DHEDRM O=C([O-])c1csc(/C=C\C(=O)c2ccc(OC(F)F)cc2)c1 ZINC000765823714 1020441861 /nfs/dbraw/zinc/44/18/61/1020441861.db2.gz HKEDXUGDJFJARY-WAYWQWQTSA-N -1 0 324.304 3.944 20 30 DHEDRM N#CCc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000255866734 1020570593 /nfs/dbraw/zinc/57/05/93/1020570593.db2.gz JTKJPRVPBLPGGQ-UHFFFAOYSA-N -1 0 315.716 3.770 20 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/nfs/dbraw/zinc/28/95/72/1021289572.db2.gz JDJPVNGNGQUIKP-ZDUSSCGKSA-N -1 0 307.353 3.527 20 30 DHEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc2sccc2s1 ZINC000918485800 1021531549 /nfs/dbraw/zinc/53/15/49/1021531549.db2.gz ZTYIXMRLWFHBTB-JTQLQIEISA-N -1 0 320.439 3.592 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1CCC1(C)C ZINC000850738561 1021631626 /nfs/dbraw/zinc/63/16/26/1021631626.db2.gz DBILQOFMOOGWOH-KGLIPLIRSA-N -1 0 308.381 3.804 20 30 DHEDRM CCOc1cccc([C@@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000745011981 1021633983 /nfs/dbraw/zinc/63/39/83/1021633983.db2.gz DLNYCNVOHSFUNN-OTWJJXBCSA-N -1 0 314.341 3.879 20 30 DHEDRM Cc1ccc(/C=C\C(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)s1 ZINC000745020662 1021639245 /nfs/dbraw/zinc/63/92/45/1021639245.db2.gz GNBNZMATFMOZQT-JLVNDZCYSA-N -1 0 316.378 3.805 20 30 DHEDRM C[C@H](Oc1cccc(/C=C\C(=O)c2cccc(F)c2)c1)C(=O)[O-] ZINC000208112826 1021714599 /nfs/dbraw/zinc/71/45/99/1021714599.db2.gz HUNZXKRTQCJDKP-LAUAKBEESA-N -1 0 314.312 3.574 20 30 DHEDRM N#Cc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1[O-] ZINC000190089063 1021820515 /nfs/dbraw/zinc/82/05/15/1021820515.db2.gz ZJZVRQSVBZHGNG-UHFFFAOYSA-N -1 0 322.364 3.838 20 30 DHEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\CCc2ccccc2)c1[O-] ZINC000920943403 1022191580 /nfs/dbraw/zinc/19/15/80/1022191580.db2.gz GIIFELAPNOBXSP-YVLHZVERSA-N -1 0 304.733 3.615 20 30 DHEDRM CC[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc(OC)cc1 ZINC000920947628 1022193635 /nfs/dbraw/zinc/19/36/35/1022193635.db2.gz OMKBGIVGLBXEQM-CJMVGXJBSA-N -1 0 314.341 3.879 20 30 DHEDRM C[C@H]1C(N=Nc2ccc(Cl)cn2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000853435977 1022271083 /nfs/dbraw/zinc/27/10/83/1022271083.db2.gz VJWDHZUKEQMBPC-ONGXEEELSA-N -1 0 309.797 3.660 20 30 DHEDRM C[C@@H]1C(N=Nc2ccc(Cl)cn2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000853435971 1022271806 /nfs/dbraw/zinc/27/18/06/1022271806.db2.gz VJWDHZUKEQMBPC-KOLCDFICSA-N -1 0 309.797 3.660 20 30 DHEDRM Cc1cccc2c1[C@@H](C)/C(=C\c1ccc([O-])c([N+](=O)[O-])c1)C2=O ZINC000766696309 1022402655 /nfs/dbraw/zinc/40/26/55/1022402655.db2.gz QEQLMFRWMIVJIW-KYJZABPNSA-N -1 0 309.321 3.992 20 30 DHEDRM O=C(/C=C\c1cc(F)cc(Cl)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000776721051 1022430219 /nfs/dbraw/zinc/43/02/19/1022430219.db2.gz XLKGGHCYGKBIGZ-IWQZZHSRSA-N -1 0 321.691 3.989 20 30 DHEDRM N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000867012708 1022596202 /nfs/dbraw/zinc/59/62/02/1022596202.db2.gz JGMPWIYPQTVKDH-MNOVXSKESA-N -1 0 312.291 3.571 20 30 DHEDRM C=CCCO[N-]C(=O)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000856028255 1022739962 /nfs/dbraw/zinc/73/99/62/1022739962.db2.gz PFGYPCBVFJLMCS-UHFFFAOYSA-N -1 0 313.319 3.751 20 30 DHEDRM Cc1nn(C(C)C)cc1/C=C/C(=O)c1cc(C(=O)[O-])ccc1C ZINC000876498451 1033077655 /nfs/dbraw/zinc/07/76/55/1033077655.db2.gz ZOTFVIDDFRLION-BQYQJAHWSA-N -1 0 312.369 3.675 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1CC12CCC2 ZINC000759813120 1023041188 /nfs/dbraw/zinc/04/11/88/1023041188.db2.gz FEMMEFTXEIZJME-KGLIPLIRSA-N -1 0 306.365 3.558 20 30 DHEDRM Cn1cc(C=CC(=O)c2sccc2[O-])c(-c2cccs2)n1 ZINC000193147367 1023082295 /nfs/dbraw/zinc/08/22/95/1023082295.db2.gz MTWXHHMIUFFYDB-SNAWJCMRSA-N -1 0 316.407 3.812 20 30 DHEDRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1C ZINC000046929161 1023094703 /nfs/dbraw/zinc/09/47/03/1023094703.db2.gz NZTPCKXUJXGBRC-WCQYABFASA-N -1 0 309.431 3.594 20 30 DHEDRM O=C([N-][C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C(F)(F)F ZINC000769788215 1023214193 /nfs/dbraw/zinc/21/41/93/1023214193.db2.gz VWCPLFJOFKJDFM-SSDOTTSWSA-N -1 0 323.595 3.761 20 30 DHEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2cscc2Cl)cc1 ZINC000771859416 1023484861 /nfs/dbraw/zinc/48/48/61/1023484861.db2.gz PAVZHHCQQNLPRR-AATRIKPKSA-N -1 0 306.770 3.925 20 30 DHEDRM CCC(=NN[C@@H](C)CC#N)c1cc(Cl)cc(Cl)c1[O-] ZINC000771891515 1023485921 /nfs/dbraw/zinc/48/59/21/1023485921.db2.gz ZSHHZXTZYXIZLB-QMMMGPOBSA-N -1 0 300.189 3.705 20 30 DHEDRM O=C(C/N=C/c1cc(Cl)ccc1O)Nc1ccc(Cl)cc1 ZINC000066887641 1023645369 /nfs/dbraw/zinc/64/53/69/1023645369.db2.gz MYNFRDQFJQFCIR-QGMBQPNBSA-N -1 0 323.179 3.757 20 30 DHEDRM Cc1ccc(O)c(C(=O)/C=C/c2cccc(C(=O)[O-])c2Cl)c1 ZINC000787171739 1023768405 /nfs/dbraw/zinc/76/84/05/1023768405.db2.gz OKEBIDFFNGFVGI-SOFGYWHQSA-N -1 0 316.740 3.948 20 30 DHEDRM CCc1ccccc1NN=Cc1cccc(OCCC(=O)[O-])c1 ZINC000746679241 1023791209 /nfs/dbraw/zinc/79/12/09/1023791209.db2.gz AWUITESWULQXIK-UHFFFAOYSA-N -1 0 312.369 3.549 20 30 DHEDRM CC(=NNc1ccccc1C(=O)[O-])c1ccc(C#N)cc1Cl ZINC000788422237 1023879806 /nfs/dbraw/zinc/87/98/06/1023879806.db2.gz BVAXLIDPJNAMPV-UHFFFAOYSA-N -1 0 313.744 3.746 20 30 DHEDRM O=C([O-])c1cc(NN=Cc2cc3ccccc3[nH]2)ccc1Cl ZINC000788409157 1023884563 /nfs/dbraw/zinc/88/45/63/1023884563.db2.gz STCCESHNLWVMNS-UHFFFAOYSA-N -1 0 313.744 3.966 20 30 DHEDRM CCCC(=CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)CCC ZINC000092693384 1023954813 /nfs/dbraw/zinc/95/48/13/1023954813.db2.gz XECYEVCMMNVDMM-UHFFFAOYSA-N -1 0 320.414 3.730 20 30 DHEDRM O=C(CCc1nc(-c2cccc3occc32)no1)C1=CC=C[CH]1 ZINC001204656220 1024120882 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Cc1ncoc1C([O-])=C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000349303944 1024697716 /nfs/dbraw/zinc/69/77/16/1024697716.db2.gz ZWNHEVFGBOGUCX-CYBMUJFWSA-N -1 0 323.377 3.905 20 30 DHEDRM CO[C@H]1CCCC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)CC1 ZINC000884372617 1025074569 /nfs/dbraw/zinc/07/45/69/1025074569.db2.gz QPBRWMQFYUDAST-LBPRGKRZSA-N -1 0 310.781 3.785 20 30 DHEDRM CCc1nc(C([O-])=C(C#N)c2nccc3ccccc32)c(C)o1 ZINC000354178820 1025376923 /nfs/dbraw/zinc/37/69/23/1025376923.db2.gz YDMCYCFDELJXME-CQSZACIVSA-N -1 0 305.337 3.584 20 30 DHEDRM N#CC(=C([O-])c1ccc2ccccc2n1)c1nc2ccccc2o1 ZINC000041546297 1025411857 /nfs/dbraw/zinc/41/18/57/1025411857.db2.gz BKYHMCOUIFDKGW-CYBMUJFWSA-N -1 0 313.316 3.866 20 30 DHEDRM N#CC(=C([O-])c1ccc(-c2ccc(F)cc2)s1)c1ccncn1 ZINC000354462616 1025434378 /nfs/dbraw/zinc/43/43/78/1025434378.db2.gz HXIRSDSDMCFYSI-ZDUSSCGKSA-N -1 0 323.352 3.834 20 30 DHEDRM N#CC(=C([O-])c1ccc(-c2ccc(F)cc2)s1)c1ccncn1 ZINC000354462605 1025434592 /nfs/dbraw/zinc/43/45/92/1025434592.db2.gz HXIRSDSDMCFYSI-CYBMUJFWSA-N -1 0 323.352 3.834 20 30 DHEDRM N#Cc1cc2cccnc2nc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211958559 1025828265 /nfs/dbraw/zinc/82/82/65/1025828265.db2.gz XLQYXZSSNFWMHI-UHFFFAOYSA-N -1 0 324.727 3.597 20 30 DHEDRM COc1cccc(Nc2cc(Cl)cc(C(=O)[O-])c2)c1C#N ZINC001211966843 1025896233 /nfs/dbraw/zinc/89/62/33/1025896233.db2.gz NZDGPDXVQTXQCP-UHFFFAOYSA-N -1 0 302.717 3.662 20 30 DHEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\[C@@H]2CCCC2(F)F)c1[O-] ZINC000806550946 1025916761 /nfs/dbraw/zinc/91/67/61/1025916761.db2.gz HEXOQEDVLASAIJ-GJRQGDOSSA-N -1 0 304.680 3.561 20 30 DHEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@@H](C2CC2)C(F)(F)F)c1[O-] ZINC000806552057 1025917544 /nfs/dbraw/zinc/91/75/44/1025917544.db2.gz OXGZMWKKLXTRKI-INVHCZKESA-N -1 0 322.670 3.714 20 30 DHEDRM O=C([O-])c1cccc(C(=O)/C=C/c2cc(-n3ccnc3)cs2)c1 ZINC000806558543 1025921138 /nfs/dbraw/zinc/92/11/38/1025921138.db2.gz FZTABLNKTPLCCS-SNAWJCMRSA-N -1 0 324.361 3.528 20 30 DHEDRM N#Cc1ccc(/C=C2\C[C@H](C(=O)[O-])c3ccccc3C2=O)c(F)c1 ZINC000806560211 1025922488 /nfs/dbraw/zinc/92/24/88/1025922488.db2.gz JKSDDOVFVXBHAL-OIQJVACTSA-N -1 0 321.307 3.536 20 30 DHEDRM Cc1ccc(C(=O)[O-])cc1C(C)N=Nc1nccnc1C1CCC1 ZINC000807992222 1026168572 /nfs/dbraw/zinc/16/85/72/1026168572.db2.gz DCDVNYKMWJTOMM-UHFFFAOYSA-N -1 0 324.384 3.587 20 30 DHEDRM Cc1cc(NCc2cc(Cl)cc(Cl)c2[O-])cc(C#N)n1 ZINC000808090273 1026202177 /nfs/dbraw/zinc/20/21/77/1026202177.db2.gz WWUUGVRUJUVFDN-UHFFFAOYSA-N -1 0 308.168 3.886 20 30 DHEDRM Cc1cccc2c1C/C(=C\c1cccc(O[C@H](C)C(=O)[O-])c1)C2=O ZINC000729151931 1026383389 /nfs/dbraw/zinc/38/33/89/1026383389.db2.gz YKMRUXJTWWOWCF-GULXKOIASA-N -1 0 322.360 3.669 20 30 DHEDRM CSc1ccc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000809152395 1026467957 /nfs/dbraw/zinc/46/79/57/1026467957.db2.gz GJQFFLAOKQVLHU-WAPJZHGLSA-N -1 0 314.362 3.708 20 30 DHEDRM COCCOCc1ccc(C=CC(=O)c2sccc2[O-])cc1 ZINC000809156425 1026470275 /nfs/dbraw/zinc/47/02/75/1026470275.db2.gz 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ZINC000811638204 1027045904 /nfs/dbraw/zinc/04/59/04/1027045904.db2.gz UUXTULFOVYMQRI-UHFFFAOYSA-N -1 0 319.364 3.799 20 30 DHEDRM C=C(C)CNN=C(C)c1cc(Br)cc(Cl)c1[O-] ZINC000811650030 1027050064 /nfs/dbraw/zinc/05/00/64/1027050064.db2.gz IBASIEOEXGQCHA-UHFFFAOYSA-N -1 0 317.614 3.698 20 30 DHEDRM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1nccc2ccccc21 ZINC000811697278 1027069837 /nfs/dbraw/zinc/06/98/37/1027069837.db2.gz BSDOVSIFOBJNBZ-SOFGYWHQSA-N -1 0 320.304 3.745 20 30 DHEDRM O=C(/C=C/c1cnc(-c2ccccn2)s1)c1ccccc1[O-] ZINC000156601407 1027131501 /nfs/dbraw/zinc/13/15/01/1027131501.db2.gz FCVCTCCUAFHCNG-CMDGGOBGSA-N -1 0 308.362 3.807 20 30 DHEDRM O=C(C=Cc1c[nH]nc1-c1ccccc1F)c1ccc(O)cc1[O-] ZINC000156622500 1027133492 /nfs/dbraw/zinc/13/34/92/1027133492.db2.gz JKGISEVOPNQKRA-VMPITWQZSA-N -1 0 324.311 3.523 20 30 DHEDRM Cn1cc(/C=C/C(=O)c2ccc([O-])c(Cl)c2)c(C(F)F)n1 ZINC000812241407 1027222972 /nfs/dbraw/zinc/22/29/72/1027222972.db2.gz CTDUCHIDRDVLJE-ONEGZZNKSA-N -1 0 312.703 3.613 20 30 DHEDRM CC(=NNc1ccccc1C(=O)[O-])c1cc(Cl)ccc1O ZINC000812441912 1027281891 /nfs/dbraw/zinc/28/18/91/1027281891.db2.gz IVUKCNUHYQJDBC-UHFFFAOYSA-N -1 0 304.733 3.580 20 30 DHEDRM CO[C@](C)(C/N=C/c1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000812445382 1027283231 /nfs/dbraw/zinc/28/32/31/1027283231.db2.gz WTPZVZHMSHYVHQ-BYNSURFDSA-N -1 0 302.201 3.933 20 30 DHEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc(F)cc1Cl ZINC000362862238 1027417577 /nfs/dbraw/zinc/41/75/77/1027417577.db2.gz IRCVCMYQOXLGQL-GORDUTHDSA-N -1 0 302.692 3.614 20 30 DHEDRM Cn1nccc1-c1ccccc1/C=C/C(=O)c1ccc(F)cc1[O-] ZINC000814189851 1027944929 /nfs/dbraw/zinc/94/49/29/1027944929.db2.gz KLDLSBDLLKQNGI-RMKNXTFCSA-N -1 0 322.339 3.828 20 30 DHEDRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000048507810 1028116700 /nfs/dbraw/zinc/11/67/00/1028116700.db2.gz AJYRIWBFJDGZEY-HNNXBMFYSA-N -1 0 322.430 3.561 20 30 DHEDRM CCC(CC)C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000048586381 1028159149 /nfs/dbraw/zinc/15/91/49/1028159149.db2.gz JWBXNAZUAWDEMT-UHFFFAOYSA-N -1 0 323.336 3.787 20 30 DHEDRM C[C@@H]1C(N=Nc2ncc(Cl)cc2Cl)CC[C@H]1CC(=O)[O-] ZINC000814740607 1028189787 /nfs/dbraw/zinc/18/97/87/1028189787.db2.gz QMALQVWHSNHTDV-YUMQZZPRSA-N -1 0 316.188 3.677 20 30 DHEDRM CC(=NNCCc1ccccc1F)[C@H](C)CCCCC(=O)[O-] ZINC000814875842 1028256858 /nfs/dbraw/zinc/25/68/58/1028256858.db2.gz YQXMICNWFOWUGG-CYBMUJFWSA-N -1 0 308.397 3.615 20 30 DHEDRM COc1ccccc1CON=Cc1cc(Cl)c(F)cc1[O-] ZINC000814923842 1028283576 /nfs/dbraw/zinc/28/35/76/1028283576.db2.gz PEBDHAWVHBBRRE-UHFFFAOYSA-N -1 0 309.724 3.744 20 30 DHEDRM COc1ccccc1CON=C(C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814923329 1028284083 /nfs/dbraw/zinc/28/40/83/1028284083.db2.gz DTGAQJSODKNMKV-CABCVRRESA-N -1 0 319.401 3.725 20 30 DHEDRM CC(C)CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000564052425 1028288288 /nfs/dbraw/zinc/28/82/88/1028288288.db2.gz DMPCIITXLYNGPG-UHFFFAOYSA-N -1 0 318.398 3.541 20 30 DHEDRM CC(=NN[C@@H](C)C(C)(C)C)c1cccc(OCCCC(=O)[O-])c1 ZINC000814937543 1028295163 /nfs/dbraw/zinc/29/51/63/1028295163.db2.gz KKLMKGULJRXAHB-AWEZNQCLSA-N -1 0 320.433 3.678 20 30 DHEDRM COc1cc(F)ccc1NN=Cc1cccc(C(=O)[O-])c1Cl ZINC000814915558 1028295982 /nfs/dbraw/zinc/29/59/82/1028295982.db2.gz AFOZECPCPWZNDH-UHFFFAOYSA-N -1 0 322.723 3.632 20 30 DHEDRM CC(C)c1nccnc1N=NC1CC[C@H](C(=O)[O-])C(C)(C)[C@H]1C ZINC000814916838 1028297619 /nfs/dbraw/zinc/29/76/19/1028297619.db2.gz MLERYUWGWDUKAV-NWDGAFQWSA-N -1 0 318.421 3.525 20 30 DHEDRM COc1cc(N=NC2CC[C@H](CC(=O)[O-])[C@@H]2C)ccc1Cl ZINC000814918866 1028298795 /nfs/dbraw/zinc/29/87/95/1028298795.db2.gz CBSGPFAMIUCZJN-VHSXEESVSA-N -1 0 310.781 3.637 20 30 DHEDRM CCOc1ccc(NN=C(C)c2csc(C(=O)[O-])c2)cc1 ZINC000814984656 1028319531 /nfs/dbraw/zinc/31/95/31/1028319531.db2.gz DZEMLNPCHGODQH-UHFFFAOYSA-N -1 0 304.371 3.681 20 30 DHEDRM CCOc1ccc(NN=C(C)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000814984219 1028321350 /nfs/dbraw/zinc/32/13/50/1028321350.db2.gz MGPBWLXMKNDRGQ-UHFFFAOYSA-N -1 0 315.329 3.535 20 30 DHEDRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000075040111 1028490517 /nfs/dbraw/zinc/49/05/17/1028490517.db2.gz CJWOLSKBMBMWJD-LBPRGKRZSA-N -1 0 315.410 3.996 20 30 DHEDRM C=CCC(F)(F)C(=O)[N-][C@H](C#N)c1c(Cl)cccc1Cl ZINC000815485608 1028520236 /nfs/dbraw/zinc/52/02/36/1028520236.db2.gz DTJIYBRASZEVHQ-SNVBAGLBSA-N -1 0 319.138 3.886 20 30 DHEDRM COc1ccc(-c2ccc(C(C)(C)C(=O)[O-])cc2C)cc1C#N ZINC000565237471 1028564257 /nfs/dbraw/zinc/56/42/57/1028564257.db2.gz IXLFYEDTXMHTOW-UHFFFAOYSA-N -1 0 309.365 3.905 20 30 DHEDRM CC(C)=C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2C)C1(C)C ZINC000042242355 1028939906 /nfs/dbraw/zinc/93/99/06/1028939906.db2.gz RMJZLNPMKZYCLX-UKRRQHHQSA-N -1 0 321.442 3.879 20 30 DHEDRM N#CC(=C([O-])c1cc[nH]c1C1CCC1)c1nc2ccccc2o1 ZINC000568771440 1029121553 /nfs/dbraw/zinc/12/15/53/1029121553.db2.gz UUZRLCXPWDHIQE-ZDUSSCGKSA-N -1 0 305.337 3.913 20 30 DHEDRM CC[C@@H](SC)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000156277157 1029428153 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Cc1ccc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)c(C)c1 ZINC000008322917 1030856252 /nfs/dbraw/zinc/85/62/52/1030856252.db2.gz QGDVGFBMXIKGMK-CMDGGOBGSA-N -1 0 310.349 3.663 20 30 DHEDRM C=CC[C@H](C(=O)[N-]OCCCC(F)(F)F)c1ccccc1 ZINC000871215368 1031165420 /nfs/dbraw/zinc/16/54/20/1031165420.db2.gz ZLGPRUQNENRIDC-ZDUSSCGKSA-N -1 0 301.308 3.737 20 30 DHEDRM C=CCc1cccc(C(C)C)c1NC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000263128454 1031170288 /nfs/dbraw/zinc/17/02/88/1031170288.db2.gz XXPLXJPMECSFRU-ZDUSSCGKSA-N -1 0 318.417 3.723 20 30 DHEDRM N#CC(=C([O-])c1ccc2cc[nH]c2n1)c1nc2ccccc2s1 ZINC000360136895 1031288149 /nfs/dbraw/zinc/28/81/49/1031288149.db2.gz QMINEGDJOFGXJY-NSHDSACASA-N -1 0 318.361 3.663 20 30 DHEDRM Cc1cc(C(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)co1 ZINC000845834321 1031734930 /nfs/dbraw/zinc/73/49/30/1031734930.db2.gz OFHMFKXJOSVSSL-CYBMUJFWSA-N -1 0 313.378 3.734 20 30 DHEDRM CC(C)[C@H](C)C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845835702 1031735068 /nfs/dbraw/zinc/73/50/68/1031735068.db2.gz 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N#CC(=C([O-])c1ccc(C#N)c(Cl)c1)c1nc2ccccc2o1 ZINC000548630371 341267834 /nfs/dbraw/zinc/26/78/34/341267834.db2.gz URKFYPMXPSHNQR-GFCCVEGCSA-N -1 0 321.723 3.843 20 30 DHEDRM N#CCCCCNC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000080024536 341268739 /nfs/dbraw/zinc/26/87/39/341268739.db2.gz XWXTXIWXMMSURY-UHFFFAOYSA-N -1 0 302.761 3.622 20 30 DHEDRM COCC[C@H](Cc1cccc(-c2ccc(C#N)s2)c1)C(=O)[O-] ZINC000566572693 341562205 /nfs/dbraw/zinc/56/22/05/341562205.db2.gz PVHJDKNWHZDUMN-CQSZACIVSA-N -1 0 315.394 3.567 20 30 DHEDRM COc1cc(/C=C/C(=O)[O-])ccc1Oc1cccc(F)c1C#N ZINC000737879846 599705772 /nfs/dbraw/zinc/70/57/72/599705772.db2.gz VSIDOBPJNQNWCK-SOFGYWHQSA-N -1 0 313.284 3.596 20 30 DHEDRM C#Cc1cccc(NC(=S)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000736095313 599806132 /nfs/dbraw/zinc/80/61/32/599806132.db2.gz PYJKHYOKYOXDMO-UHFFFAOYSA-N -1 0 311.366 3.567 20 30 DHEDRM CCCC[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)[O-] ZINC000736983295 599870380 /nfs/dbraw/zinc/87/03/80/599870380.db2.gz YRCCNODVYZPLKM-OCCSQVGLSA-N -1 0 306.431 3.994 20 30 DHEDRM N#Cc1ccc(NC(=O)c2cccc(NC(=O)[O-])c2)cc1Cl ZINC000739121854 599894319 /nfs/dbraw/zinc/89/43/19/599894319.db2.gz WXHFOZLDKXITKE-UHFFFAOYSA-N -1 0 315.716 3.554 20 30 DHEDRM Cn1cc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000726740796 599907764 /nfs/dbraw/zinc/90/77/64/599907764.db2.gz PSXVRYDOEQBZBE-DHZHZOJOSA-N -1 0 305.333 3.773 20 30 DHEDRM N#Cc1cc(F)ccc1COc1cc(Cl)ccc1C(=O)[O-] ZINC000071249584 600080021 /nfs/dbraw/zinc/08/00/21/600080021.db2.gz OGQCDTWMOKGADS-UHFFFAOYSA-N -1 0 305.692 3.628 20 30 DHEDRM O=C([O-])c1ccc(/C=C2/Oc3c(cccc3Cl)C2=O)cc1 ZINC000729149079 600146381 /nfs/dbraw/zinc/14/63/81/600146381.db2.gz BUBIWHRDPXQZGV-MDWZMJQESA-N -1 0 300.697 3.654 20 30 DHEDRM N#Cc1cc(Cl)ccc1NCCc1ccc(C(=O)[O-])cc1 ZINC000052856225 600160899 /nfs/dbraw/zinc/16/08/99/600160899.db2.gz ZODHWCBVTZBHTH-UHFFFAOYSA-N -1 0 300.745 3.564 20 30 DHEDRM Cc1c2c(nc(S[C@@H](C(=O)[O-])c3ccccc3)c1C#N)CCC2 ZINC000738253895 600377749 /nfs/dbraw/zinc/37/77/49/600377749.db2.gz 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ZINC000736232111 600680630 /nfs/dbraw/zinc/68/06/30/600680630.db2.gz FHFLJJXREVVVDI-UHFFFAOYSA-N -1 0 312.344 3.672 20 30 DHEDRM Cc1cc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC(C)C ZINC000832897213 600753953 /nfs/dbraw/zinc/75/39/53/600753953.db2.gz NQJDZPNQIBBCPW-GOSISDBHSA-N -1 0 324.380 3.892 20 30 DHEDRM N#Cc1ccc([C@H](Sc2ccc(F)c(F)c2)C(=O)[O-])cc1 ZINC000739117555 600937979 /nfs/dbraw/zinc/93/79/79/600937979.db2.gz LRCBMSUNHPGMHD-AWEZNQCLSA-N -1 0 305.305 3.754 20 30 DHEDRM CSc1ccc(C(=O)/C=C\c2ccoc2C(=O)[O-])cc1F ZINC000738196973 600982885 /nfs/dbraw/zinc/98/28/85/600982885.db2.gz VBHYLDWDRFQDGA-RQOWECAXSA-N -1 0 306.314 3.735 20 30 DHEDRM C=CCCCC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000825671671 601127538 /nfs/dbraw/zinc/12/75/38/601127538.db2.gz ZPOMIRDONHDMHD-UHFFFAOYSA-N -1 0 301.264 3.698 20 30 DHEDRM CCOc1cc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1C ZINC000830050119 601304066 /nfs/dbraw/zinc/30/40/66/601304066.db2.gz YIBRMTGHBLHPBO-KRWDZBQOSA-N -1 0 310.353 3.503 20 30 DHEDRM CCc1ccc([C@H]2CCCN2[C@H](C(=O)[O-])c2cccc(C#N)c2)o1 ZINC000830237682 601318783 /nfs/dbraw/zinc/31/87/83/601318783.db2.gz MECOGLYABVLIPA-AEFFLSMTSA-N -1 0 324.380 3.676 20 30 DHEDRM O=C([O-])c1ccc(/C=C/C(=O)c2ccc3c4c(cccc42)CC3)[nH]1 ZINC000833311679 601330966 /nfs/dbraw/zinc/33/09/66/601330966.db2.gz AMKKESDHHHLKMV-DHZHZOJOSA-N -1 0 317.344 3.861 20 30 DHEDRM CCCCCCCC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000203954572 601474297 /nfs/dbraw/zinc/47/42/97/601474297.db2.gz BSHWXEMTJVKZNZ-KRWDZBQOSA-N -1 0 303.402 3.558 20 30 DHEDRM CC(C)c1ccc(NC(=O)c2cc(C#N)cs2)c(C(=O)[O-])c1 ZINC000827124512 601536269 /nfs/dbraw/zinc/53/62/69/601536269.db2.gz NODCSUUWEMFQMS-UHFFFAOYSA-N -1 0 314.366 3.694 20 30 DHEDRM O=C([O-])c1ccc(CON=Cc2ccc(Cl)cc2)cc1F ZINC000833314245 601630251 /nfs/dbraw/zinc/63/02/51/601630251.db2.gz FCESQAYUDADPHX-UHFFFAOYSA-N -1 0 307.708 3.728 20 30 DHEDRM CCOc1ccc(Cl)cc1C(=O)/C=C/c1c[nH]c(C(=O)[O-])c1 ZINC000830080503 601792856 /nfs/dbraw/zinc/79/28/56/601792856.db2.gz OBOREDHWPADOOZ-HWKANZROSA-N -1 0 319.744 3.661 20 30 DHEDRM C[C@@H]1Sc2sccc2C(=O)/C1=C/c1c[nH]c(C(=O)[O-])c1 ZINC000832829005 601794144 /nfs/dbraw/zinc/79/41/44/601794144.db2.gz MRYZGOIMLWEFMR-KMFAHORVSA-N -1 0 305.380 3.535 20 30 DHEDRM C=CCCC(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000825665123 601932609 /nfs/dbraw/zinc/93/26/09/601932609.db2.gz VDHOZTKOPSUVNX-LBPRGKRZSA-N -1 0 303.141 3.629 20 30 DHEDRM Cc1ccc2c(c1)OCC/C(=C/c1ccc(C(=O)[O-])cc1)C2=O ZINC000763107921 601951719 /nfs/dbraw/zinc/95/17/19/601951719.db2.gz ZKNKTVMQNRPSQY-PTNGSMBKSA-N -1 0 308.333 3.742 20 30 DHEDRM Cc1ccc(C(=O)/C=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000794692974 602105566 /nfs/dbraw/zinc/10/55/66/602105566.db2.gz YSBBROCXMVVUAP-VDBIKXPHSA-N -1 0 310.349 3.743 20 30 DHEDRM Cc1ccsc1C(=O)/C=C/c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000832983838 602111809 /nfs/dbraw/zinc/11/18/09/602111809.db2.gz CQKFEPSZFRZLAS-ZCRIDZFUSA-N -1 0 316.378 3.805 20 30 DHEDRM CCc1ccc(C(=O)/C=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)o1 ZINC000794701039 602112303 /nfs/dbraw/zinc/11/23/03/602112303.db2.gz KSAFFGLEOCVZJW-XTOZHPGHSA-N -1 0 314.337 3.590 20 30 DHEDRM O=C([O-])c1occc1/C=C\C(=O)c1cc2c(s1)CCCC2 ZINC000833094799 602149706 /nfs/dbraw/zinc/14/97/06/602149706.db2.gz KTCOPYFZIJHVLL-WAYWQWQTSA-N -1 0 302.351 3.814 20 30 DHEDRM C[C@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000738989579 602601997 /nfs/dbraw/zinc/60/19/97/602601997.db2.gz RNLNBYKFHMCHCC-NSHDSACASA-N -1 0 324.340 3.531 20 30 DHEDRM C[C@H](NC(=O)[O-])c1ccc(NCc2ccc(C#N)cc2F)cc1 ZINC000739016754 603104532 /nfs/dbraw/zinc/10/45/32/603104532.db2.gz KRTYZWHDMPQODX-NSHDSACASA-N -1 0 313.332 3.638 20 30 DHEDRM C#CCOc1ccc(CNc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000823463402 603178356 /nfs/dbraw/zinc/17/83/56/603178356.db2.gz OVUBHDRVROMPNA-AWEZNQCLSA-N -1 0 324.380 3.639 20 30 DHEDRM COCc1ccc(SCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC000833726234 604553191 /nfs/dbraw/zinc/55/31/91/604553191.db2.gz XOLZMRHYXWVREA-UHFFFAOYSA-N -1 0 313.378 3.695 20 30 DHEDRM CC(=NNCc1ccc(F)c(F)c1)[C@H](C)CCCCC(=O)[O-] ZINC000814808268 604638067 /nfs/dbraw/zinc/63/80/67/604638067.db2.gz FPJUVNUAIOJEQB-LLVKDONJSA-N -1 0 312.360 3.711 20 30 DHEDRM C=C[C@@H](CC(=O)OCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000833371956 604730304 /nfs/dbraw/zinc/73/03/04/604730304.db2.gz YFNOCYJZLZEAIL-HNNXBMFYSA-N -1 0 310.349 3.788 20 30 DHEDRM C=C[C@@H](CC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000833371032 604740082 /nfs/dbraw/zinc/74/00/82/604740082.db2.gz KPMGKSKTDBWFTG-AWEZNQCLSA-N -1 0 321.376 3.587 20 30 DHEDRM O=C([O-])Nc1cccc(NCC#Cc2cccc(Cl)c2)c1 ZINC000833288353 604800381 /nfs/dbraw/zinc/80/03/81/604800381.db2.gz DBEJFZYWBWKDST-UHFFFAOYSA-N -1 0 300.745 3.894 20 30 DHEDRM C=C[C@H](CC(=O)Nc1sccc1C(=O)[O-])c1ccccc1 ZINC000833370510 604812156 /nfs/dbraw/zinc/81/21/56/604812156.db2.gz CWUJZSNJSXLMOU-LLVKDONJSA-N -1 0 301.367 3.745 20 30 DHEDRM CCCC(C#N)(CCC)NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000826705689 604934978 /nfs/dbraw/zinc/93/49/78/604934978.db2.gz GHFVKODVIMJOSS-UHFFFAOYSA-N -1 0 317.389 3.677 20 30 DHEDRM COc1ccc(C#N)cc1CNc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000832152333 604984047 /nfs/dbraw/zinc/98/40/47/604984047.db2.gz AQHIAUQMRKPYBW-UHFFFAOYSA-N -1 0 324.380 3.541 20 30 DHEDRM O=C([O-])c1ccccc1NN=Cc1ccccc1Br ZINC000833783668 605101900 /nfs/dbraw/zinc/10/19/00/605101900.db2.gz ADWOPAUWNMIKMT-UHFFFAOYSA-N -1 0 319.158 3.593 20 30 DHEDRM C=CCN(Cc1ccc(C(=O)[O-])[nH]1)Cc1ccc(Cl)s1 ZINC000833374709 605102394 /nfs/dbraw/zinc/10/23/94/605102394.db2.gz ZDFICSHGJRMANZ-UHFFFAOYSA-N -1 0 310.806 3.616 20 30 DHEDRM C=CCN(CC1CCCCC1)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC000833375458 605126668 /nfs/dbraw/zinc/12/66/68/605126668.db2.gz YRGSCLUAPUURGE-UHFFFAOYSA-N -1 0 319.405 3.622 20 30 DHEDRM CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1cccc(C#N)c1 ZINC000833386632 605156076 /nfs/dbraw/zinc/15/60/76/605156076.db2.gz NKNAAKRHUGQNSU-UHFFFAOYSA-N -1 0 313.744 3.746 20 30 DHEDRM C[C@]1(C#N)CCCN(Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000833551558 605419650 /nfs/dbraw/zinc/41/96/50/605419650.db2.gz PEWMERIUKXEAEV-QGZVFWFLSA-N -1 0 314.410 3.725 20 30 DHEDRM CC(N=Nc1ccc2n[nH]cc2c1)[C@H](C)CCCCC(=O)[O-] ZINC000814900067 605584235 /nfs/dbraw/zinc/58/42/35/605584235.db2.gz CCMFBHJFYRRHGV-LLVKDONJSA-N -1 0 302.378 3.632 20 30 DHEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1c(C)nn(C(C)C)c1C ZINC000746485616 605591971 /nfs/dbraw/zinc/59/19/71/605591971.db2.gz ZSAURUKBHQWDGF-UHFFFAOYSA-N -1 0 314.389 3.615 20 30 DHEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1cnc2ccsc2c1 ZINC000739400142 605592275 /nfs/dbraw/zinc/59/22/75/605592275.db2.gz CZGPQZQOKDHYCO-UHFFFAOYSA-N -1 0 311.366 3.831 20 30 DHEDRM CC(C)(C)CN(CCC#N)Cc1cc(C(=O)[O-])ccc1Cl ZINC000833430333 605835776 /nfs/dbraw/zinc/83/57/76/605835776.db2.gz OAUXSTVTIBOLAP-UHFFFAOYSA-N -1 0 308.809 3.800 20 30 DHEDRM N#CC1(c2ccc(C(=O)Nc3ccc(NC(=O)[O-])cc3)cc2)CC1 ZINC000833963773 606083835 /nfs/dbraw/zinc/08/38/35/606083835.db2.gz UXHFCMFFNJNFHE-UHFFFAOYSA-N -1 0 321.336 3.584 20 30 DHEDRM CCCCCCC[C@H](C)CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001589644849 949713016 /nfs/dbraw/zinc/71/30/16/949713016.db2.gz CJEYSLGZLJRERO-ZNMIVQPWSA-N -1 0 312.454 3.536 20 30 DHEDRM CC(C)CN(C(=O)c1ccc(C(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC001603025755 972086403 /nfs/dbraw/zinc/08/64/03/972086403.db2.gz PTRXHVKGGKIOAY-UHFFFAOYSA-N -1 0 322.364 3.559 20 30 DHEDRM C=CC[C@@H]1N(C(=O)/C=C\c2ccc(C(=O)[O-])o2)CCCC1(C)C ZINC000864156693 955971982 /nfs/dbraw/zinc/97/19/82/955971982.db2.gz ALXNQEHRFRDYBZ-WWRUEGTHSA-N -1 0 317.385 3.584 20 30 DHEDRM C=C(C)COc1cccc(NC(=O)C2(C(=O)[O-])CCCCC2)c1 ZINC001588443445 958353183 /nfs/dbraw/zinc/35/31/83/958353183.db2.gz QZLIRZWKFAOMLN-UHFFFAOYSA-N -1 0 317.385 3.615 20 30 DHEDRM C=C[C@@H](C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001588450334 958389986 /nfs/dbraw/zinc/38/99/86/958389986.db2.gz FIGRNKPRFFHTQU-WBVHZDCISA-N -1 0 321.376 3.561 20 30 DHEDRM C=CC[C@@H](C(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC001588452217 958420709 /nfs/dbraw/zinc/42/07/09/958420709.db2.gz LHEXNYLDGNGDMN-QGZVFWFLSA-N -1 0 309.365 3.612 20 30 DHEDRM C=CCC[C@@H](C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1ccccc1 ZINC001588457306 958448340 /nfs/dbraw/zinc/44/83/40/958448340.db2.gz UCQLEJDEJXJCJQ-IAGOWNOFSA-N -1 0 317.429 3.600 20 30 DHEDRM C=CCCCN(CC)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001588460162 958473368 /nfs/dbraw/zinc/47/33/68/958473368.db2.gz YIDURPYKGPYVSE-UHFFFAOYSA-N -1 0 304.390 3.524 20 30 DHEDRM CCCCCCCC(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000236841997 960771781 /nfs/dbraw/zinc/77/17/81/960771781.db2.gz QBLGGRQQWNRILC-UHFFFAOYSA-N -1 0 307.390 3.757 20 30 DHEDRM C=CCOCCCC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000238010155 961072936 /nfs/dbraw/zinc/07/29/36/961072936.db2.gz WSJHPLFQKOENED-UHFFFAOYSA-N -1 0 319.382 3.521 20 30 DHEDRM C#Cc1cccc(N(C)C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1 ZINC001573313092 962726144 /nfs/dbraw/zinc/72/61/44/962726144.db2.gz BFTKZFHSTAGLGF-ZDUSSCGKSA-N -1 0 322.364 3.524 20 30 DHEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001573328145 962808742 /nfs/dbraw/zinc/80/87/42/962808742.db2.gz BYECBTJSSSCBOP-DOMZBBRYSA-N -1 0 302.374 3.641 20 30 DHEDRM C=C[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1CC)c1ccccc1 ZINC001573344953 962922997 /nfs/dbraw/zinc/92/29/97/962922997.db2.gz BGPMZQRRLZDREK-INIZCTEOSA-N -1 0 309.365 3.856 20 30 DHEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001573353197 962997627 /nfs/dbraw/zinc/99/76/27/962997627.db2.gz RKCIMSFPGOTWKV-BBRMVZONSA-N -1 0 316.401 3.950 20 30 DHEDRM C#CCCCCC(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC001588440581 964040594 /nfs/dbraw/zinc/04/05/94/964040594.db2.gz BHOYWTMDFDCBPS-UHFFFAOYSA-N -1 0 307.415 3.876 20 30 DHEDRM C#CCCCCC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001588440763 964043239 /nfs/dbraw/zinc/04/32/39/964043239.db2.gz PNEYUAKYCAPWLO-UHFFFAOYSA-N -1 0 301.367 3.732 20 30 DHEDRM CC(=CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21)C1CC1 ZINC000120982262 1013652781 /nfs/dbraw/zinc/65/27/81/1013652781.db2.gz FBIOPWCRERKSHY-GDXASINISA-N -1 0 306.365 3.724 20 30 DHEDRM N#CCC[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000255133829 1013852031 /nfs/dbraw/zinc/85/20/31/1013852031.db2.gz ZAJSPZYMYPIEOE-BKAYVGFPSA-N -1 0 309.325 3.764 20 30 DHEDRM N#CC(=C([O-])c1coc(C2CCC2)n1)c1ccc2ccccc2n1 ZINC000683689610 1013857118 /nfs/dbraw/zinc/85/71/18/1013857118.db2.gz YZVCADPHLDYMGV-AWEZNQCLSA-N -1 0 317.348 3.980 20 30 DHEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)CC2CCC2)c1C ZINC000076765395 1013854488 /nfs/dbraw/zinc/85/44/88/1013854488.db2.gz LEANRYKXGHLBJN-UHFFFAOYSA-N -1 0 309.431 3.756 20 30 DHEDRM C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)CC2CCCCC2)C1 ZINC000076905709 1013855100 /nfs/dbraw/zinc/85/51/00/1013855100.db2.gz JPUFBENVVZSWHO-TZMCWYRMSA-N -1 0 301.452 3.679 20 30 DHEDRM NC(=O)C1CCC(NC(=O)c2cc(F)cc(Cl)c2[O-])CC1 ZINC000331240251 1013869693 /nfs/dbraw/zinc/86/96/93/1013869693.db2.gz PBSQUIAZRZRQFA-UHFFFAOYSA-N -1 0 314.744 3.583 20 30 DHEDRM CC(C)Oc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC001591759310 975841153 /nfs/dbraw/zinc/84/11/53/975841153.db2.gz YMLWACUXMGSNMK-BQYQJAHWSA-N -1 0 300.310 3.661 20 30 DHEDRM CC(C)c1ccc(NC(=O)c2ccc(CC#N)cc2)c(C(=O)[O-])c1 ZINC001591968014 976565829 /nfs/dbraw/zinc/56/58/29/976565829.db2.gz HUMYHPNKICWKGU-UHFFFAOYSA-N -1 0 322.364 3.827 20 30 DHEDRM CCCn1nc(C)c(/C=C/C(=O)c2cc(F)ccc2[O-])c1C ZINC000160724495 1014511947 /nfs/dbraw/zinc/51/19/47/1014511947.db2.gz OVJLEPNANRCCSO-SOFGYWHQSA-N -1 0 302.349 3.651 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1ccc(F)cc1Cl ZINC000756906209 978702015 /nfs/dbraw/zinc/70/20/15/978702015.db2.gz UWEBGDQPWITISA-UHFFFAOYSA-N -1 0 322.723 3.632 20 30 DHEDRM O=C([O-])c1ccc(N=NCc2ccc(Cl)c(Cl)c2)nc1 ZINC000763370172 978722148 /nfs/dbraw/zinc/72/21/48/978722148.db2.gz MJNFNUKJRAOTDB-UHFFFAOYSA-N -1 0 310.140 3.533 20 30 DHEDRM CCC(N=Nc1ccc(C(=O)[O-])cn1)c1cccc(Cl)c1F ZINC000763405769 978723179 /nfs/dbraw/zinc/72/31/79/978723179.db2.gz FZTUGPCCZGVIPW-UHFFFAOYSA-N -1 0 321.739 3.799 20 30 DHEDRM CC(C)c1nc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)cs1 ZINC000771744696 978743630 /nfs/dbraw/zinc/74/36/30/978743630.db2.gz LPKPISJOAIXGSM-VMPITWQZSA-N -1 0 301.367 3.861 20 30 DHEDRM N#Cc1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000788361333 978796985 /nfs/dbraw/zinc/79/69/85/978796985.db2.gz ZZJURNQXJZKZSJ-FNORWQNLSA-N -1 0 311.724 3.806 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1N=NC[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000789637827 978797913 /nfs/dbraw/zinc/79/79/13/978797913.db2.gz UOFYCMIJNOWHGZ-YPMHNXCESA-N -1 0 302.374 3.784 20 30 DHEDRM C[C@H](Cc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC001592877022 979742519 /nfs/dbraw/zinc/74/25/19/979742519.db2.gz GVUDXLKCNQJYFO-KGLIPLIRSA-N -1 0 308.381 3.995 20 30 DHEDRM C[C@@H](Cc1ccc(Nc2ncc(C#N)cc2Cl)cc1)C(=O)[O-] ZINC001592883139 979757518 /nfs/dbraw/zinc/75/75/18/979757518.db2.gz MYUMOUCIBAAOEZ-JTQLQIEISA-N -1 0 315.760 3.613 20 30 DHEDRM CC[C@H](N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccc(C#N)cc1 ZINC001595282957 980345904 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N#Cc1ccc(C(=O)N2CCC[C@H]2CC2CCCCC2)cc1O ZINC000442947168 1014776362 /nfs/dbraw/zinc/77/63/62/1014776362.db2.gz RZNVWNYXIFKDJR-KRWDZBQOSA-N -1 0 312.413 3.839 20 30 DHEDRM CCCCCCCC[C@H](C)C(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC001595704557 982277144 /nfs/dbraw/zinc/27/71/44/982277144.db2.gz AEXUFBQRXFXHCQ-QWHCGFSZSA-N -1 0 319.392 3.694 20 30 DHEDRM CCCCCCCCC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001595704615 982277330 /nfs/dbraw/zinc/27/73/30/982277330.db2.gz DEMHPOJXFXAITK-UHFFFAOYSA-N -1 0 309.406 3.995 20 30 DHEDRM CCCCCCC[C@@H](C)CNC(=O)c1cc(C(=O)[O-])ccn1 ZINC001595705330 982284822 /nfs/dbraw/zinc/28/48/22/982284822.db2.gz WDSORWMSBJXQHR-CYBMUJFWSA-N -1 0 306.406 3.506 20 30 DHEDRM CCCCCCCCCN(C)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001595705402 982285437 /nfs/dbraw/zinc/28/54/37/982285437.db2.gz YYSGYKWHDZZUSH-HNNXBMFYSA-N -1 0 310.438 3.552 20 30 DHEDRM COc1cccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000255308044 1014849252 /nfs/dbraw/zinc/84/92/52/1014849252.db2.gz 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ZINC001596231106 983625842 /nfs/dbraw/zinc/62/58/42/983625842.db2.gz GXIMRGPZZWHZIM-RNCFNFMXSA-N -1 0 315.200 3.601 20 30 DHEDRM C=C(C)CN(Cc1ccccc1)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001588567082 983646134 /nfs/dbraw/zinc/64/61/34/983646134.db2.gz BXHOIFGGKVXJRH-UHFFFAOYSA-N -1 0 323.392 3.532 20 30 DHEDRM C=C(C)COc1cccc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@H]2C)c1 ZINC001588573773 983653934 /nfs/dbraw/zinc/65/39/34/983653934.db2.gz WWUKPORNXBTNSF-CKEIUWERSA-N -1 0 303.402 3.943 20 30 DHEDRM C=C(CC(C)C)C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001588605909 983695609 /nfs/dbraw/zinc/69/56/09/983695609.db2.gz QZTNZTBXXZLOHA-KRWDZBQOSA-N -1 0 311.381 3.684 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC001588621863 983720910 /nfs/dbraw/zinc/72/09/10/983720910.db2.gz LJFULFLTGBHPHT-DLBZAZTESA-N -1 0 315.413 3.640 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC001588621864 983720915 /nfs/dbraw/zinc/72/09/15/983720915.db2.gz LJFULFLTGBHPHT-IAGOWNOFSA-N -1 0 315.413 3.640 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc2c(ccn2CC(C)C)c1 ZINC001588634012 983751806 /nfs/dbraw/zinc/75/18/06/983751806.db2.gz PDOJHMMJRUKGPQ-UHFFFAOYSA-N -1 0 314.385 3.657 20 30 DHEDRM C=C1CCC(C(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])CC1 ZINC001588649822 983770676 /nfs/dbraw/zinc/77/06/76/983770676.db2.gz GDRPJMJKIUOYLB-UHFFFAOYSA-N -1 0 317.385 3.857 20 30 DHEDRM C=C[C@H](C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])c1ccccc1 ZINC001588661658 983787020 /nfs/dbraw/zinc/78/70/20/983787020.db2.gz NMHOHZQJAJRGHU-INIZCTEOSA-N -1 0 317.429 3.552 20 30 DHEDRM C=CC(C)(C)CC(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21 ZINC001588673070 983828450 /nfs/dbraw/zinc/82/84/50/983828450.db2.gz HVMSCGFMQDNLOX-UHFFFAOYSA-N -1 0 301.386 3.575 20 30 DHEDRM C=CC(C)(C)CCNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001588677176 983834702 /nfs/dbraw/zinc/83/47/02/983834702.db2.gz VUJRLLXIIJGUEW-UHFFFAOYSA-N -1 0 310.781 3.762 20 30 DHEDRM C=C[C@H]1CCCCN1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001588719115 983959181 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C=CC[C@H]1CCN1[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001588773296 984147607 /nfs/dbraw/zinc/14/76/07/984147607.db2.gz ZZRRCNBUDGOQBF-GWCFXTLKSA-N -1 0 300.185 3.770 20 30 DHEDRM C=CC[C@@H]1CCN1[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001588773299 984147704 /nfs/dbraw/zinc/14/77/04/984147704.db2.gz ZZRRCNBUDGOQBF-ZWNOBZJWSA-N -1 0 300.185 3.770 20 30 DHEDRM C=CCC[C@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccco1 ZINC001588778485 984160956 /nfs/dbraw/zinc/16/09/56/984160956.db2.gz BOZFUKPMCUHEGO-ZDUSSCGKSA-N -1 0 320.776 3.823 20 30 DHEDRM C=CCCC[C@H](NC(=O)C[C@@H](CC)c1ccc(C)cc1)C(=O)[O-] ZINC001588789528 984199302 /nfs/dbraw/zinc/19/93/02/984199302.db2.gz DMAUQJZZFXXNSU-WBVHZDCISA-N -1 0 317.429 3.804 20 30 DHEDRM C=CCCC[C@@H](NC(=O)/C=C\c1cc(C)c(C)cc1C)C(=O)[O-] ZINC001588789902 984202204 /nfs/dbraw/zinc/20/22/04/984202204.db2.gz MSQQTTOMCYEJSY-DOOKAGJSSA-N -1 0 315.413 3.551 20 30 DHEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2conc2C2CC2)s1 ZINC000581579040 1015013315 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C=CCN(Cc1cc(C(=O)[O-])c2n1CCCC2)c1ccccc1 ZINC001588829404 984314663 /nfs/dbraw/zinc/31/46/63/984314663.db2.gz ZCEDJTFCSUVBMD-UHFFFAOYSA-N -1 0 310.397 3.715 20 30 DHEDRM C=CCN(Cc1ccccc1F)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001588831897 984318475 /nfs/dbraw/zinc/31/84/75/984318475.db2.gz WCPWJYCKVNMWIA-GOSISDBHSA-N -1 0 324.355 3.511 20 30 DHEDRM CCc1ccc2nc(NC(=O)c3ccc(C#N)c([O-])c3)sc2c1 ZINC000443642963 1015060126 /nfs/dbraw/zinc/06/01/26/1015060126.db2.gz UHGBBPCCDKDBMK-UHFFFAOYSA-N -1 0 323.377 3.688 20 30 DHEDRM CC(=NNc1ccccc1C(F)(F)F)c1cc(C(=O)[O-])co1 ZINC001589017621 985005151 /nfs/dbraw/zinc/00/51/51/985005151.db2.gz WIYMTJIEIZWVNP-UHFFFAOYSA-N -1 0 312.247 3.833 20 30 DHEDRM C[C@@H]1c2ccc(F)cc2CCN1Cc1cccc(C(=O)[O-])c1C#N ZINC001594667311 986970971 /nfs/dbraw/zinc/97/09/71/986970971.db2.gz IDQPIICKKCYURV-GFCCVEGCSA-N -1 0 324.355 3.515 20 30 DHEDRM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cc2ccccc2o1 ZINC001599841290 988837700 /nfs/dbraw/zinc/83/77/00/988837700.db2.gz 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COc1ccc(/C=C\C(=O)[O-])cc1OCc1ccc(C#N)c(C)c1 ZINC001599546956 997939279 /nfs/dbraw/zinc/93/92/79/997939279.db2.gz QAVDYRHPNHFHEX-YVMONPNESA-N -1 0 323.348 3.552 20 30 DHEDRM COc1cc(C#N)ccc1CSCc1ccc(C(=O)[O-])cc1 ZINC001599347295 998030864 /nfs/dbraw/zinc/03/08/64/998030864.db2.gz BNHSJDYNROPPMA-UHFFFAOYSA-N -1 0 313.378 3.698 20 30 DHEDRM COc1ccc(C#N)cc1N[C@@H]1CCC[C@@H](CCCC(=O)[O-])C1 ZINC001599477040 998549737 /nfs/dbraw/zinc/54/97/37/998549737.db2.gz UYDFYNUAAVPGEE-DZGCQCFKSA-N -1 0 316.401 3.792 20 30 DHEDRM C[C@@H]1C[C@H](CCNc2ccc(C(=O)[O-])nc2C#N)CC(C)(C)C1 ZINC001594235875 998898050 /nfs/dbraw/zinc/89/80/50/998898050.db2.gz LIVXIIVSKANIIL-OLZOCXBDSA-N -1 0 315.417 3.916 20 30 DHEDRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNc1ccc(C(=O)[O-])nc1C#N ZINC001594299324 999155624 /nfs/dbraw/zinc/15/56/24/999155624.db2.gz XNULCQUPNHGYFD-HZSPNIEDSA-N -1 0 315.417 3.772 20 30 DHEDRM CC(C)c1ccoc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000342390149 1016334482 /nfs/dbraw/zinc/33/44/82/1016334482.db2.gz 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1025371853 /nfs/dbraw/zinc/37/18/53/1025371853.db2.gz QVXWKSFMUUNRGQ-UHFFFAOYSA-N -1 0 308.746 3.509 20 30 DHEDRM CCCCCCCC(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000236841046 1025426738 /nfs/dbraw/zinc/42/67/38/1025426738.db2.gz KPNICHVPNGZQPE-NSHDSACASA-N -1 0 312.435 3.687 20 30 DHEDRM CCCc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)sc1C ZINC000075442762 1025797879 /nfs/dbraw/zinc/79/78/79/1025797879.db2.gz XSZJTJWKDVJVEP-CQSZACIVSA-N -1 0 313.426 3.906 20 30 DHEDRM CC(C)(C#N)c1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC001211960817 1025838984 /nfs/dbraw/zinc/83/89/84/1025838984.db2.gz OACWASLOUXZDAZ-UHFFFAOYSA-N -1 0 315.760 3.978 20 30 DHEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@H]2CCCSC2)c1[O-] ZINC000806551361 1025917461 /nfs/dbraw/zinc/91/74/61/1025917461.db2.gz KPGCMCBVCKUMHM-NEFPKRPYSA-N -1 0 314.794 3.516 20 30 DHEDRM C[C@@H](C#N)Oc1ccc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000806558919 1025921123 /nfs/dbraw/zinc/92/11/23/1025921123.db2.gz PJXOIJNKCDONBU-RSPDNQDQSA-N -1 0 321.332 3.572 20 30 DHEDRM C[C@H](C#N)Oc1ccc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000806558921 1025921238 /nfs/dbraw/zinc/92/12/38/1025921238.db2.gz PJXOIJNKCDONBU-UTSBKAFOSA-N -1 0 321.332 3.572 20 30 DHEDRM CCOc1ccccc1/C=C1\C[C@H](C(=O)[O-])c2ccccc2C1=O ZINC000806559373 1025921367 /nfs/dbraw/zinc/92/13/67/1025921367.db2.gz APXRKHLPQKZSKN-WKOYGUFESA-N -1 0 322.360 3.924 20 30 DHEDRM O=C([O-])c1cccc(C(=O)/C=C/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000806559118 1025922421 /nfs/dbraw/zinc/92/24/21/1025922421.db2.gz VHJYGENOFWBBJK-MPYXGJHCSA-N -1 0 323.304 3.745 20 30 DHEDRM COc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)c(C)c1OC ZINC000806571549 1025928505 /nfs/dbraw/zinc/92/85/05/1025928505.db2.gz KDFJGKRJDAJGEQ-DAXSKMNVSA-N -1 0 316.328 3.753 20 30 DHEDRM O=C1c2ccc([O-])c(F)c2C/C1=C\c1ccc(OC(F)F)cc1 ZINC000806575219 1025930139 /nfs/dbraw/zinc/93/01/39/1025930139.db2.gz UIPNUCOBYSUIAE-JXMROGBWSA-N -1 0 320.266 3.955 20 30 DHEDRM Cc1cc(/C=C2\Cc3c(ccc([O-])c3F)C2=O)cnc1Cl ZINC000806574983 1025930316 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Cc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nc1C ZINC000420278171 1026798283 /nfs/dbraw/zinc/79/82/83/1026798283.db2.gz UXPCQFLEHPARMZ-GFCCVEGCSA-N -1 0 313.426 3.943 20 30 DHEDRM C[C@@H]1C/C(=C\c2cccc(OCC(=O)[O-])c2)C(=O)c2ccccc21 ZINC000178902474 1027060083 /nfs/dbraw/zinc/06/00/83/1027060083.db2.gz JQYXXPOFSNWKHY-QQFZQELXSA-N -1 0 322.360 3.924 20 30 DHEDRM C[C@H]1C/C(=C\c2cccc(OCC(=O)[O-])c2)C(=O)c2ccccc21 ZINC000178902488 1027062611 /nfs/dbraw/zinc/06/26/11/1027062611.db2.gz JQYXXPOFSNWKHY-LERPTODRSA-N -1 0 322.360 3.924 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2ncoc2C2CC2)n1 ZINC000571468946 1027127903 /nfs/dbraw/zinc/12/79/03/1027127903.db2.gz MBCQQOKVKOIUBE-SNVBAGLBSA-N -1 0 301.371 3.622 20 30 DHEDRM O=C(/C=C/c1coc(-c2ccccc2)n1)c1ccc(O)cc1[O-] ZINC000156622085 1027133124 /nfs/dbraw/zinc/13/31/24/1027133124.db2.gz QQZBCILCWJDAPQ-RMKNXTFCSA-N -1 0 307.305 3.649 20 30 DHEDRM CC(=NOC1CCC1)c1cc(Br)c(F)cc1[O-] ZINC000812235571 1027218860 /nfs/dbraw/zinc/21/88/60/1027218860.db2.gz 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1028153427 /nfs/dbraw/zinc/15/34/27/1028153427.db2.gz ALENOUUBBKVBEQ-UHFFFAOYSA-N -1 0 303.387 3.729 20 30 DHEDRM C[C@H]1CC(N=Nc2nc3ccccc3s2)CC[C@@H]1C(=O)[O-] ZINC000814685840 1028153880 /nfs/dbraw/zinc/15/38/80/1028153880.db2.gz WZGBICGOYOWWGE-ONGXEEELSA-N -1 0 303.387 3.585 20 30 DHEDRM CC(CCCCCCC(=O)[O-])N=Nc1cccc([N+](=O)[O-])c1 ZINC000814694687 1028159098 /nfs/dbraw/zinc/15/90/98/1028159098.db2.gz UWJNVISBBSCFAT-UHFFFAOYSA-N -1 0 307.350 3.808 20 30 DHEDRM O=C(CCC1CCCC1)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000048612186 1028170222 /nfs/dbraw/zinc/17/02/22/1028170222.db2.gz GIYLAUGUBZBSTC-UHFFFAOYSA-N -1 0 321.442 3.791 20 30 DHEDRM CC(CC1(C(=O)[O-])CCC1)N=Nc1ncc(Cl)cc1Cl ZINC000814740217 1028190564 /nfs/dbraw/zinc/19/05/64/1028190564.db2.gz JGUYKVIFLNXGHT-UHFFFAOYSA-N -1 0 316.188 3.821 20 30 DHEDRM CCC(=NNc1ccccc1C(=O)[O-])c1ccc(F)cc1F ZINC000814767961 1028197976 /nfs/dbraw/zinc/19/79/76/1028197976.db2.gz BIRXOKNRVMPZCB-UHFFFAOYSA-N -1 0 304.296 3.889 20 30 DHEDRM O=C([O-])c1cccc(C=NNc2ccccc2Br)c1 ZINC000814791274 1028206905 /nfs/dbraw/zinc/20/69/05/1028206905.db2.gz DFPIUIICJCKJSN-UHFFFAOYSA-N -1 0 319.158 3.593 20 30 DHEDRM O=C([O-])c1cccc(C=NNCc2ccccc2Cl)c1Cl ZINC000814812553 1028221463 /nfs/dbraw/zinc/22/14/63/1028221463.db2.gz BRKASPRXLHXWPP-UHFFFAOYSA-N -1 0 323.179 3.815 20 30 DHEDRM CC(=NN[C@@H](C)c1ccccc1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814815127 1028223864 /nfs/dbraw/zinc/22/38/64/1028223864.db2.gz NVSWHQKJKXFMOM-MAZHCROVSA-N -1 0 302.418 3.850 20 30 DHEDRM O=C([O-])c1cccc(CN=Nc2ncccc2Cl)c1Cl ZINC000814810474 1028233848 /nfs/dbraw/zinc/23/38/48/1028233848.db2.gz NYXJPRNWBVYBQN-UHFFFAOYSA-N -1 0 310.140 3.533 20 30 DHEDRM C[C@H]1C(=NNCCCc2ccccc2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814837908 1028238539 /nfs/dbraw/zinc/23/85/39/1028238539.db2.gz QFBLBLHTOJJFKV-GOEBONIOSA-N -1 0 316.445 3.722 20 30 DHEDRM Oc1cccc(C=NNc2cc(F)c(F)c(F)c2)c1Cl ZINC000814864038 1028249283 /nfs/dbraw/zinc/24/92/83/1028249283.db2.gz MZJPFRNSXKPQJG-UHFFFAOYSA-N 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1028452921 /nfs/dbraw/zinc/45/29/21/1028452921.db2.gz FOEMSPUDINPRFS-CLTKARDFSA-N -1 0 303.701 3.850 20 30 DHEDRM CC(C)c1cccc(O[C@H](C)C(=O)Nc2cc(C#N)ccc2[O-])c1 ZINC000748003367 1028537310 /nfs/dbraw/zinc/53/73/10/1028537310.db2.gz ORAFHDGQCBHOTE-CYBMUJFWSA-N -1 0 324.380 3.793 20 30 DHEDRM C=CCC(F)(F)C(=O)[N-][C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000815544016 1028549681 /nfs/dbraw/zinc/54/96/81/1028549681.db2.gz GNECUCAXZFHXTC-LLVKDONJSA-N -1 0 318.245 3.598 20 30 DHEDRM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000076755683 1028708893 /nfs/dbraw/zinc/70/88/93/1028708893.db2.gz KEDMYOJDHLVSCL-MRXNPFEDSA-N -1 0 317.410 3.772 20 30 DHEDRM C=CC[C@@H](CC)NC(=O)N(CC(=O)[O-])[C@H](CC)c1ccccc1 ZINC000567022538 1028821038 /nfs/dbraw/zinc/82/10/38/1028821038.db2.gz VSAZXEKMWMSJLY-HZPDHXFCSA-N -1 0 318.417 3.589 20 30 DHEDRM Cc1cc(C)cc(C(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)c1 ZINC000077881540 1029153256 /nfs/dbraw/zinc/15/32/56/1029153256.db2.gz ZRCYQCPSNGHBNT-CQSZACIVSA-N -1 0 317.410 3.699 20 30 DHEDRM Cc1oc(C)c(C(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)c1C ZINC000077879985 1029153550 /nfs/dbraw/zinc/15/35/50/1029153550.db2.gz RTUALYPUCGJHHO-CYBMUJFWSA-N -1 0 321.398 3.600 20 30 DHEDRM O=C([O-])c1cccc(N=NC=CCc2ccc(F)c(F)c2)c1 ZINC000794855402 1029947602 /nfs/dbraw/zinc/94/76/02/1029947602.db2.gz RXPVAMDLOVILAR-BJSUELPTSA-N -1 0 302.280 3.774 20 30 DHEDRM CC(C)C1CCC(C=Nn2c(=S)[n-]nc2C(F)(F)F)CC1 ZINC000794863796 1029983610 /nfs/dbraw/zinc/98/36/10/1029983610.db2.gz JDNUHJHVPDRXNA-UHFFFAOYSA-N -1 0 320.384 3.882 20 30 DHEDRM O=C(/C=C/c1ccnn1-c1ccc(F)cc1)c1ccccc1[O-] ZINC000794941022 1030423724 /nfs/dbraw/zinc/42/37/24/1030423724.db2.gz IPQWNOXDYGNCPK-MDZDMXLPSA-N -1 0 308.312 3.613 20 30 DHEDRM Cc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c(C)o1 ZINC000075438889 1030636410 /nfs/dbraw/zinc/63/64/10/1030636410.db2.gz TZVDDWGETIVRHT-LBPRGKRZSA-N -1 0 308.259 3.800 20 30 DHEDRM Cc1cnc(F)c(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000870224539 1030945520 /nfs/dbraw/zinc/94/55/20/1030945520.db2.gz HAZVIYBJDMGSFE-NSHDSACASA-N -1 0 303.362 3.599 20 30 DHEDRM Cc1ccc(C(=O)/C=C\c2cccc(OCCC(=O)[O-])c2)cc1 ZINC000208111626 1030956389 /nfs/dbraw/zinc/95/63/89/1030956389.db2.gz QGGADIFDGDFHLQ-YFHOEESVSA-N -1 0 310.349 3.745 20 30 DHEDRM CC(C)(C)c1[n-]n(CC=C(Cl)Cl)c(=O)c1CCC#N ZINC000844238298 1031019779 /nfs/dbraw/zinc/01/97/79/1031019779.db2.gz CFINKVCDPSVQQM-UHFFFAOYSA-N -1 0 302.205 3.661 20 30 DHEDRM COc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])c(Cl)c1 ZINC000757471572 1031158319 /nfs/dbraw/zinc/15/83/19/1031158319.db2.gz GKIPHBUQSZQPMK-CLTKARDFSA-N -1 0 304.729 3.656 20 30 DHEDRM Cc1c(N=NC2CCC[C@H]2c2ccccn2)cccc1C(=O)[O-] ZINC000844622588 1031256201 /nfs/dbraw/zinc/25/62/01/1031256201.db2.gz GNBYYEKNKMKLGI-AWEZNQCLSA-N -1 0 309.369 3.824 20 30 DHEDRM CCC[C@@H]1C[C@H]1C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845833874 1031734525 /nfs/dbraw/zinc/73/45/25/1031734525.db2.gz OPNIZQVNURZRTQ-BNOWGMLFSA-N -1 0 315.438 3.955 20 30 DHEDRM Cc1ccc(C(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)o1 ZINC000845836393 1031736569 /nfs/dbraw/zinc/73/65/69/1031736569.db2.gz CIELOVIBXDPCFN-LBPRGKRZSA-N -1 0 313.378 3.734 20 30 DHEDRM Cc1c(F)cccc1C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845842008 1031739196 /nfs/dbraw/zinc/73/91/96/1031739196.db2.gz CIVOWBYBJZCNFM-INIZCTEOSA-N -1 0 321.351 3.758 20 30 DHEDRM C[C@@H]1CC[C@H](C(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)C1 ZINC000845839068 1031741053 /nfs/dbraw/zinc/74/10/53/1031741053.db2.gz VLSAUFWTIVBBGU-XBFCOCLRSA-N -1 0 315.438 3.955 20 30 DHEDRM N#CC(=C([O-])c1ccccc1[N+](=O)[O-])c1nccc2ccccc21 ZINC000361529990 1031972568 /nfs/dbraw/zinc/97/25/68/1031972568.db2.gz HPKUWJGRBBGBEQ-OAHLLOKOSA-N -1 0 317.304 3.633 20 30 DHEDRM C=C[C@H](C)O[N-]C(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 ZINC000846549537 1031997330 /nfs/dbraw/zinc/99/73/30/1031997330.db2.gz YSGAUPUMQIYFRI-GXFFZTMASA-N -1 0 301.308 3.821 20 30 DHEDRM C=C[C@@H](C)O[N-]C(=O)Cc1sc(C)nc1-c1ccc(C)cc1 ZINC000846541382 1032003597 /nfs/dbraw/zinc/00/35/97/1032003597.db2.gz GUUDYEIBYSQWBW-GFCCVEGCSA-N -1 0 316.426 3.592 20 30 DHEDRM CCCCCCCC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000846714916 1032044954 /nfs/dbraw/zinc/04/49/54/1032044954.db2.gz CSMRIDXVJOMJPG-HOTGVXAUSA-N -1 0 303.402 3.776 20 30 DHEDRM N#Cc1ccc([O-])c(NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC000860444897 1033383774 /nfs/dbraw/zinc/38/37/74/1033383774.db2.gz HQLIVSNJDPTHLN-HZPDHXFCSA-N -1 0 306.365 3.786 20 30 DHEDRM C=C(C)CO[N-]C(=O)[C@@H](CC)c1ccc(Br)cc1 ZINC000862132713 1033769279 /nfs/dbraw/zinc/76/92/79/1033769279.db2.gz KOJVFJKTSJIBIZ-ZDUSSCGKSA-N -1 0 312.207 3.567 20 30 DHEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N\[C@@H]1CO[C@@H](C2CC2)C1 ZINC000864346320 1034323513 /nfs/dbraw/zinc/32/35/13/1034323513.db2.gz SVYNSGGTCNYMKH-LUYLZBOKSA-N -1 0 300.185 3.685 20 30 DHEDRM O=C(/C=C/C=C\c1ccc(F)c(F)c1)c1ccc(O)cc1[O-] ZINC000794703131 1034392649 /nfs/dbraw/zinc/39/26/49/1034392649.db2.gz SQACSROZZYOVKM-HSFFGMMNSA-N -1 0 302.276 3.828 20 30 DHEDRM N#Cc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)c(F)c1F ZINC001174499688 1034419674 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N#Cc1c(Nc2ccc(CC(=O)[O-])cc2)sc2c1CCCC2 ZINC001174948716 1034702851 /nfs/dbraw/zinc/70/28/51/1034702851.db2.gz AHHASOLVLLVWJF-UHFFFAOYSA-N -1 0 312.394 3.869 20 30 DHEDRM CCC(=NOCCC(F)(F)F)c1cc(C(=O)[O-])ccc1F ZINC000777459373 1034752280 /nfs/dbraw/zinc/75/22/80/1034752280.db2.gz IPAMVWWDTREOCR-UHFFFAOYSA-N -1 0 307.243 3.607 20 30 DHEDRM C#Cc1ccc(NC(=O)[C@](C)(CC(=O)[O-])CC(C)C)c(Cl)c1 ZINC000899843422 1034919291 /nfs/dbraw/zinc/91/92/91/1034919291.db2.gz SAFHWLRRHFFJKT-KRWDZBQOSA-N -1 0 321.804 3.787 20 30 DHEDRM COc1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc1C#N ZINC001175319311 1034932471 /nfs/dbraw/zinc/93/24/71/1034932471.db2.gz RDLCLKPAQSWIKY-UHFFFAOYSA-N -1 0 302.717 3.662 20 30 DHEDRM COc1cc(C#N)cc(Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001175321284 1034933474 /nfs/dbraw/zinc/93/34/74/1034933474.db2.gz JTOKVVNVPBGFAR-UHFFFAOYSA-N -1 0 302.717 3.662 20 30 DHEDRM N#Cc1cc(Nc2cccc(C(=O)[O-])c2)ccc1N1CCCC1 ZINC001175332372 1034937298 /nfs/dbraw/zinc/93/72/98/1034937298.db2.gz QYXAXYATJXPWRO-UHFFFAOYSA-N -1 0 307.353 3.600 20 30 DHEDRM N#Cc1cc(F)cc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)c1 ZINC001175683631 1035083815 /nfs/dbraw/zinc/08/38/15/1035083815.db2.gz GTATXECOXXFEHK-UHFFFAOYSA-N -1 0 316.094 3.987 20 30 DHEDRM Cc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1C ZINC000160763673 1035229994 /nfs/dbraw/zinc/22/99/94/1035229994.db2.gz PCTKGPRLZHCFQQ-UHFFFAOYSA-N -1 0 320.801 3.629 20 30 DHEDRM CC(C)(C#N)c1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cn1 ZINC001176582483 1035290151 /nfs/dbraw/zinc/29/01/51/1035290151.db2.gz ZEVOCCYHVMLAGU-UHFFFAOYSA-N -1 0 321.380 3.743 20 30 DHEDRM CC(=O)c1ccc(Nc2ccc(C=CC(=O)[O-])cc2)c(C#N)c1 ZINC001176595202 1035292927 /nfs/dbraw/zinc/29/29/27/1035292927.db2.gz DTHSTYZTMVJIRD-RUDMXATFSA-N -1 0 306.321 3.602 20 30 DHEDRM CCc1ncsc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000161084467 1035294073 /nfs/dbraw/zinc/29/40/73/1035294073.db2.gz VVEHODWHWIFBCJ-SECBINFHSA-N -1 0 305.428 3.775 20 30 DHEDRM N#Cc1ccc(Cl)cc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176679362 1035312685 /nfs/dbraw/zinc/31/26/85/1035312685.db2.gz GYZQBIMUQTZEFO-UHFFFAOYSA-N -1 0 317.688 3.562 20 30 DHEDRM N#Cc1ccc(Br)c(Nc2ccc(C(=O)[O-])cc2)c1 ZINC001176713478 1035326753 /nfs/dbraw/zinc/32/67/53/1035326753.db2.gz GXXVVRRJKSFPJJ-UHFFFAOYSA-N -1 0 317.142 3.763 20 30 DHEDRM CC[C@@H](NC(=O)c1ccc([O-])c(C#N)c1)c1ccc(C)cc1C ZINC001193519396 1035660529 /nfs/dbraw/zinc/66/05/29/1035660529.db2.gz YAIFRRSKVUPALR-QGZVFWFLSA-N -1 0 308.381 3.762 20 30 DHEDRM N#Cc1cccc(C(=O)Nc2ncc(-c3ccccc3)s2)c1[O-] ZINC001193635547 1035683897 /nfs/dbraw/zinc/68/38/97/1035683897.db2.gz WIXKBOCGHORUAP-UHFFFAOYSA-N -1 0 321.361 3.640 20 30 DHEDRM C=CCOC(=O)Nc1c(Cl)ccc(Br)c1[O-] ZINC001194330056 1035911142 /nfs/dbraw/zinc/91/11/42/1035911142.db2.gz ZQIGVHNUZYDBTG-UHFFFAOYSA-N -1 0 306.543 3.543 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2COc3ccc(Cl)cc32)c1 ZINC000761787849 1036169029 /nfs/dbraw/zinc/16/90/29/1036169029.db2.gz WHHPUISBNCQBHR-JYINPYMRSA-N -1 0 318.716 3.506 20 30 DHEDRM Cc1cc(C)c2c(c1)C(=O)/C(=C/c1cccc(C(=O)[O-])c1)CO2 ZINC000774126365 1036186838 /nfs/dbraw/zinc/18/68/38/1036186838.db2.gz KNQCDSFMUGDUDV-OQLLNIDSSA-N -1 0 308.333 3.660 20 30 DHEDRM C#Cc1cc([N-]S(=O)(=O)c2c(C)cccc2Cl)ccc1F ZINC001195310290 1036217069 /nfs/dbraw/zinc/21/70/69/1036217069.db2.gz XERDBGOUIACRDM-UHFFFAOYSA-N -1 0 323.776 3.570 20 30 DHEDRM C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774372194 1036302549 /nfs/dbraw/zinc/30/25/49/1036302549.db2.gz WFYMDEKWSZDTQY-VIFPVBQESA-N -1 0 322.195 3.816 20 30 DHEDRM CCOc1ccc(C#N)cc1NC(=O)c1cccc(Cl)c1[O-] ZINC000775672329 1036348026 /nfs/dbraw/zinc/34/80/26/1036348026.db2.gz JEMLJKPIVBTXLV-UHFFFAOYSA-N -1 0 316.744 3.568 20 30 DHEDRM N#CC(=C([O-])c1cccnc1)c1nc(-c2ccccc2)cs1 ZINC000193274229 1036454000 /nfs/dbraw/zinc/45/40/00/1036454000.db2.gz ANHSGKCXQLZJQJ-CQSZACIVSA-N -1 0 305.362 3.695 20 30 DHEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)C#N)cc2)c(F)c1 ZINC001196380646 1036515848 /nfs/dbraw/zinc/51/58/48/1036515848.db2.gz VYWNJVCNDFMSFA-LBPRGKRZSA-N -1 0 318.373 3.562 20 30 DHEDRM Cc1c(Cl)cccc1NN=Cc1ccccc1OCC(=O)[O-] ZINC000915051110 1036588196 /nfs/dbraw/zinc/58/81/96/1036588196.db2.gz LFXGUUXSQYXFKZ-UHFFFAOYSA-N -1 0 318.760 3.558 20 30 DHEDRM N#Cc1ccc([O-])c(NC(=O)CSc2ccc(Cl)cc2)c1 ZINC000176403132 1036714680 /nfs/dbraw/zinc/71/46/80/1036714680.db2.gz WMDVTDSTTZIDSU-UHFFFAOYSA-N -1 0 318.785 3.648 20 30 DHEDRM N#Cc1ccc([O-])c(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000176404083 1036719038 /nfs/dbraw/zinc/71/90/38/1036719038.db2.gz BCADJNFEWCDWMN-KBPBESRZSA-N -1 0 312.756 3.659 20 30 DHEDRM N#Cc1cc(NC(=S)Nc2ccc(Cl)cc2)ccc1O ZINC001197335576 1036757591 /nfs/dbraw/zinc/75/75/91/1036757591.db2.gz PRFGKKUIEOEQAP-UHFFFAOYSA-N -1 0 303.774 3.726 20 30 DHEDRM CC(C)(C)c1ccc(CNC(=O)CCC(=O)C2=CC=C[CH]2)cc1 ZINC001184243938 1036782666 /nfs/dbraw/zinc/78/26/66/1036782666.db2.gz LCGZQAFVUYVJBM-UHFFFAOYSA-N -1 0 310.417 3.650 20 30 DHEDRM CCCc1nc2ccc(NC(=O)CCC(=O)C3=CC=C[CH]3)cc2o1 ZINC001184245592 1036783732 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C=CCOc1cccc(NC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000736113727 600573683 /nfs/dbraw/zinc/57/36/83/600573683.db2.gz BJDPDWCGDDUBAZ-UHFFFAOYSA-N -1 0 312.325 3.594 20 30 DHEDRM CC[C@@H](C)Oc1cccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736886369 600595772 /nfs/dbraw/zinc/59/57/72/600595772.db2.gz ISVKSDJIHLFIBE-FZKQIMNGSA-N -1 0 324.380 3.973 20 30 DHEDRM N#Cc1ccc([C@@H](Sc2ccc(F)cc2F)C(=O)[O-])cc1 ZINC000739118856 600937976 /nfs/dbraw/zinc/93/79/76/600937976.db2.gz VUMNLMYUGHEJSJ-CQSZACIVSA-N -1 0 305.305 3.754 20 30 DHEDRM O=C([O-])c1ccc(/C=C/C(=O)c2ccc3cc(O)ccc3c2)o1 ZINC000833095790 601201425 /nfs/dbraw/zinc/20/14/25/601201425.db2.gz YEWVSQCWPTUQIE-FNORWQNLSA-N -1 0 308.289 3.733 20 30 DHEDRM CO[C@@H](C)c1cccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000831492661 601303876 /nfs/dbraw/zinc/30/38/76/601303876.db2.gz BSKCNYKYQYITSV-SJCJKPOMSA-N -1 0 310.353 3.503 20 30 DHEDRM N#Cc1cccc([C@@H](C(=O)[O-])N2CCC[C@H]2c2cccs2)c1 ZINC000833074162 601309963 /nfs/dbraw/zinc/30/99/63/601309963.db2.gz 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ZINC000833298479 601793479 /nfs/dbraw/zinc/79/34/79/601793479.db2.gz WHOJAJSERFUJDG-PLNGDYQASA-N -1 0 310.136 3.916 20 30 DHEDRM O=C([O-])c1cc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)c[nH]1 ZINC000833092871 601794150 /nfs/dbraw/zinc/79/41/50/601794150.db2.gz OREMJUFDFASIHH-PLNGDYQASA-N -1 0 318.332 3.671 20 30 DHEDRM Cc1cc(C)c(C#N)c(SCc2ccsc2C(=O)[O-])n1 ZINC000832873504 601890182 /nfs/dbraw/zinc/89/01/82/601890182.db2.gz KOETYNHKPSSPCF-UHFFFAOYSA-N -1 0 304.396 3.622 20 30 DHEDRM Cc1cc(C)c2c(c1)C(=O)/C(=C/c1ccc(C(=O)[O-])o1)CCO2 ZINC000832874027 601952287 /nfs/dbraw/zinc/95/22/87/601952287.db2.gz FBHNMAIDSUQQDS-FMIVXFBMSA-N -1 0 312.321 3.643 20 30 DHEDRM C[C@@H](Oc1ccc(/C=C\C(=O)c2cccc(F)c2)cc1)C(=O)[O-] ZINC000794691973 602105710 /nfs/dbraw/zinc/10/57/10/602105710.db2.gz RLPIRTOVHVARSX-MQGYJPLLSA-N -1 0 314.312 3.574 20 30 DHEDRM C[C@@H](Oc1ccc(/C=C/C(=O)c2ccccc2F)cc1)C(=O)[O-] ZINC000827884334 602106186 /nfs/dbraw/zinc/10/61/86/602106186.db2.gz GGTASKHLHWQAHG-JATZPVMKSA-N -1 0 314.312 3.574 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ZINC000833372043 604764892 /nfs/dbraw/zinc/76/48/92/604764892.db2.gz ZZWWKVBTSVPGHC-ZDUSSCGKSA-N -1 0 320.348 3.947 20 30 DHEDRM O=C([O-])c1ccc(C(=O)/C=C\c2cncc3ccccc23)cc1 ZINC000833310370 604773249 /nfs/dbraw/zinc/77/32/49/604773249.db2.gz OMUPPHBCXRGDOQ-KTKRTIGZSA-N -1 0 303.317 3.829 20 30 DHEDRM O=C([O-])c1cccnc1SCC#Cc1cccc(Cl)c1 ZINC000833334334 604785883 /nfs/dbraw/zinc/78/58/83/604785883.db2.gz FVISTETUEZZXGF-UHFFFAOYSA-N -1 0 303.770 3.577 20 30 DHEDRM CC(=NOCC(C)C)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC000833386947 604989337 /nfs/dbraw/zinc/98/93/37/604989337.db2.gz DDMVFOGRNSWHMI-UHFFFAOYSA-N -1 0 306.387 3.700 20 30 DHEDRM N#CCCCOc1cccc(C=NNc2ccccc2C(=O)[O-])c1 ZINC000726737043 605099968 /nfs/dbraw/zinc/09/99/68/605099968.db2.gz FQWOTODTEQXJPO-UHFFFAOYSA-N -1 0 323.352 3.513 20 30 DHEDRM C=C(C)[C@H]1CC=C(COC(=O)C2CCC(C(=O)[O-])CC2)CC1 ZINC000833368966 605118975 /nfs/dbraw/zinc/11/89/75/605118975.db2.gz YGUAPUJTJTVPDV-FHERZECASA-N -1 0 306.402 3.723 20 30 DHEDRM C=C(C)CN(CC)C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000833369223 605131004 /nfs/dbraw/zinc/13/10/04/605131004.db2.gz KHHKYVASPHVGNP-UHFFFAOYSA-N -1 0 322.430 3.755 20 30 DHEDRM C=C(C)CN(CC)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC000833369205 605136039 /nfs/dbraw/zinc/13/60/39/605136039.db2.gz JUQGHDGRLHRZIT-UHFFFAOYSA-N -1 0 304.390 3.938 20 30 DHEDRM CCN(Cc1ccccc1NCc1cccc(C#N)c1)C(=O)[O-] ZINC000827187314 605245724 /nfs/dbraw/zinc/24/57/24/605245724.db2.gz XGLPNWMRSFXZFQ-UHFFFAOYSA-N -1 0 309.369 3.670 20 30 DHEDRM CCN(Cc1ccccc1NCc1ccc(C#N)cc1)C(=O)[O-] ZINC000827186732 605245739 /nfs/dbraw/zinc/24/57/39/605245739.db2.gz CNNTULYUNAMEKD-UHFFFAOYSA-N -1 0 309.369 3.670 20 30 DHEDRM C=CCC[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccccc1 ZINC000833372967 605262295 /nfs/dbraw/zinc/26/22/95/605262295.db2.gz BYSFFVAVSFHNJT-GOSISDBHSA-N -1 0 323.392 3.751 20 30 DHEDRM CCCCCCCCCCN=Nc1oc(C)nc1-c1nnn[n-]1 ZINC000825271155 607886882 /nfs/dbraw/zinc/88/68/82/607886882.db2.gz IAMQTZNTDZBQQY-UHFFFAOYSA-N -1 0 319.413 3.702 20 30 DHEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001602718668 971376163 /nfs/dbraw/zinc/37/61/63/971376163.db2.gz REEKSGMXAFQFRK-GOEBONIOSA-N -1 0 316.401 3.570 20 30 DHEDRM CCCCCCCCCNC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001589644963 949714966 /nfs/dbraw/zinc/71/49/66/949714966.db2.gz GDANCXCIIKASKW-HNNXBMFYSA-N -1 0 312.454 3.633 20 30 DHEDRM CC(C)(C#N)c1ccc(CNc2cccc(CC(=O)[O-])c2)cc1 ZINC000593946935 953762095 /nfs/dbraw/zinc/76/20/95/953762095.db2.gz DHRGUVVBVGEIAJ-UHFFFAOYSA-N -1 0 308.381 3.727 20 30 DHEDRM C=CCCCCCCCCNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000861456966 955915452 /nfs/dbraw/zinc/91/54/52/955915452.db2.gz UQFYKGYHBGKOBV-JKSUJKDBSA-N -1 0 324.465 3.655 20 30 DHEDRM C=CC[C@H](C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1ccccc1 ZINC001573330267 958516969 /nfs/dbraw/zinc/51/69/69/958516969.db2.gz WYHDYNXJUANVJB-RDJZCZTQSA-N -1 0 317.429 3.600 20 30 DHEDRM Cc1ccc2ncc(C#N)c(OCc3cccc(C(=O)[O-])c3)c2c1 ZINC001594385497 958657525 /nfs/dbraw/zinc/65/75/25/958657525.db2.gz UBNZQSPXZAGQCK-UHFFFAOYSA-N -1 0 318.332 3.692 20 30 DHEDRM Cc1nc(Nc2cccc(CCC(=O)[O-])c2)c(Cl)cc1C#N ZINC001594460326 959450130 /nfs/dbraw/zinc/45/01/30/959450130.db2.gz GRAYBZWPBTXQDQ-UHFFFAOYSA-N -1 0 315.760 3.676 20 30 DHEDRM Cc1ccc(-c2cccc(C3(C#N)CCOCC3)c2)cc1C(=O)[O-] ZINC001243196332 960636551 /nfs/dbraw/zinc/63/65/51/960636551.db2.gz WQTRGUKPBQVXOX-UHFFFAOYSA-N -1 0 321.376 3.932 20 30 DHEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)C3CCC3)c2)c1 ZINC000238199521 961154527 /nfs/dbraw/zinc/15/45/27/961154527.db2.gz NCHMROPIYAFYID-UHFFFAOYSA-N -1 0 319.360 3.523 20 30 DHEDRM C#CC[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1C)c1ccccc1 ZINC001573303067 962670552 /nfs/dbraw/zinc/67/05/52/962670552.db2.gz JYBUDHCVNZWONY-KRWDZBQOSA-N -1 0 322.364 3.579 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC001573333261 962854710 /nfs/dbraw/zinc/85/47/10/962854710.db2.gz ZGFMNVANHJPVCQ-OAHLLOKOSA-N -1 0 321.804 3.815 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC001573333260 962855345 /nfs/dbraw/zinc/85/53/45/962855345.db2.gz ZGFMNVANHJPVCQ-HNNXBMFYSA-N -1 0 321.804 3.815 20 30 DHEDRM C=C1CCC(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)CC1 ZINC001573343262 962902952 /nfs/dbraw/zinc/90/29/52/962902952.db2.gz CEMKJFIJZHXFDK-UHFFFAOYSA-N -1 0 307.777 3.514 20 30 DHEDRM C=CC(C)(C)C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001573348134 962956191 /nfs/dbraw/zinc/95/61/91/962956191.db2.gz SUQCEPQBASKUAQ-UHFFFAOYSA-N -1 0 302.157 3.842 20 30 DHEDRM C=CCC(CC=C)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001573350556 962970087 /nfs/dbraw/zinc/97/00/87/962970087.db2.gz JOUSFPVMMSQTLV-UHFFFAOYSA-N -1 0 310.353 3.640 20 30 DHEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001573352840 962993320 /nfs/dbraw/zinc/99/33/20/962993320.db2.gz KWKFTAVSCBUXRL-LSDHHAIUSA-N -1 0 307.434 3.663 20 30 DHEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NC(=O)[O-])cc1C ZINC001573353225 962998838 /nfs/dbraw/zinc/99/88/38/962998838.db2.gz 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DHEDRM CC(C)(C)Oc1ccc(NC2CCC(C(=O)[O-])CC2)cc1C#N ZINC000840994873 979293315 /nfs/dbraw/zinc/29/33/15/979293315.db2.gz FRJYCPISIYTCBP-UHFFFAOYSA-N -1 0 316.401 3.791 20 30 DHEDRM CCCCCCCC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC000844158807 979350937 /nfs/dbraw/zinc/35/09/37/979350937.db2.gz SVLQQVOAPRPDEB-UHFFFAOYSA-N -1 0 303.402 3.630 20 30 DHEDRM CC(=NNc1cccc(C(=O)[O-])c1C)c1coc(C(C)C)n1 ZINC000844623493 979397226 /nfs/dbraw/zinc/39/72/26/979397226.db2.gz NZTFXBRBQQRNJB-UHFFFAOYSA-N -1 0 301.346 3.641 20 30 DHEDRM C=CC[C@H]1N(C(=O)/C=C\c2cc(C(=O)[O-])co2)CCCC1(C)C ZINC000864158018 979769912 /nfs/dbraw/zinc/76/99/12/979769912.db2.gz XYIWUJNREXDFBI-ZPIQOJFGSA-N -1 0 317.385 3.584 20 30 DHEDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)CCCCCC#N ZINC001595362143 980768277 /nfs/dbraw/zinc/76/82/77/980768277.db2.gz XKAWDNTXZFCCDG-MRXNPFEDSA-N -1 0 316.401 3.525 20 30 DHEDRM Cc1nc(C)c(/C=C2/CCCc3cc(C(=O)[O-])ccc3C2=O)o1 ZINC000905086110 981088512 /nfs/dbraw/zinc/08/85/12/981088512.db2.gz 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ZINC001595705185 982282508 /nfs/dbraw/zinc/28/25/08/982282508.db2.gz RAMJBHWVGUEABC-HHARLNAUSA-N -1 0 323.477 3.989 20 30 DHEDRM CCCCCCCCCNC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001595705162 982282528 /nfs/dbraw/zinc/28/25/28/982282528.db2.gz QNEJDQPEZRQAND-UHFFFAOYSA-N -1 0 309.410 3.595 20 30 DHEDRM C=CCCc1ccccc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000911401030 982418911 /nfs/dbraw/zinc/41/89/11/982418911.db2.gz AUPJUYXTGVTFGN-LSDHHAIUSA-N -1 0 301.386 3.635 20 30 DHEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C)s1 ZINC000443417296 1014905576 /nfs/dbraw/zinc/90/55/76/1014905576.db2.gz KIAQSCIXJCOILH-UHFFFAOYSA-N -1 0 307.440 3.976 20 30 DHEDRM C#C[C@](C)(CC)N[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001588367101 983296935 /nfs/dbraw/zinc/29/69/35/983296935.db2.gz ISNSLULEVPSVQO-TZMCWYRMSA-N -1 0 300.185 3.511 20 30 DHEDRM C#CCC1(C(=O)Nc2cc(C)c(C(=O)[O-])s2)CCCCC1 ZINC001588428387 983461328 /nfs/dbraw/zinc/46/13/28/983461328.db2.gz MXFFZCYSYKNSHJ-UHFFFAOYSA-N -1 0 305.399 3.667 20 30 DHEDRM C#CCC1(C(=O)Nc2cccc(C(=O)[O-])c2Cl)CCCCC1 ZINC001588428374 983461422 /nfs/dbraw/zinc/46/14/22/983461422.db2.gz MHEDFGUCHPBRKN-UHFFFAOYSA-N -1 0 319.788 3.951 20 30 DHEDRM C=C(C)[C@@H](N[C@H](C)c1nc(C(=O)[O-])co1)c1ccc(F)c(F)c1 ZINC001588535651 983590465 /nfs/dbraw/zinc/59/04/65/983590465.db2.gz PNRGTCNXAMJUKH-YMTOWFKASA-N -1 0 322.311 3.619 20 30 DHEDRM C=C(C)C[C@H](C)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001588536544 983594403 /nfs/dbraw/zinc/59/44/03/983594403.db2.gz RFJGFAJOJMDRDP-LBPRGKRZSA-N -1 0 307.415 3.794 20 30 DHEDRM C=C(C)Cc1cccc(C(=O)[O-])c1OCc1cc(C2CC2)no1 ZINC001588577373 983656360 /nfs/dbraw/zinc/65/63/60/983656360.db2.gz UASJFOVQTNYKHX-UHFFFAOYSA-N -1 0 313.353 3.948 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N(CCC)[C@@H](CC)c1ccccc1 ZINC001588612519 983703473 /nfs/dbraw/zinc/70/34/73/983703473.db2.gz REBUALFNZMGCAA-INIZCTEOSA-N -1 0 303.402 3.797 20 30 DHEDRM C=C1CCC(C(=O)N(c2ccccc2)[C@H](CC)C(=O)[O-])CC1 ZINC001588644356 983769521 /nfs/dbraw/zinc/76/95/21/983769521.db2.gz RBEZISHDTSTWMM-MRXNPFEDSA-N -1 0 301.386 3.629 20 30 DHEDRM C=C[C@@H](CC(=O)N(CC(C)C)C(C)(C)C(=O)[O-])c1ccccc1 ZINC001588686778 983867210 /nfs/dbraw/zinc/86/72/10/983867210.db2.gz DSZGFVHNMPAMFV-HNNXBMFYSA-N -1 0 317.429 3.694 20 30 DHEDRM C=C[C@@H](CC)CC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001588690493 983874646 /nfs/dbraw/zinc/87/46/46/983874646.db2.gz AOYIJRYBUUSUHP-XJKSGUPXSA-N -1 0 315.413 3.523 20 30 DHEDRM C=C[C@@H](CC)CC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001588692822 983887375 /nfs/dbraw/zinc/88/73/75/983887375.db2.gz KGGFIHIBWJAPCF-LBPRGKRZSA-N -1 0 307.415 3.794 20 30 DHEDRM C=CC1(CC(=O)Nc2cc(C(=O)[O-])ccc2F)CCCCC1 ZINC001588719404 983960481 /nfs/dbraw/zinc/96/04/81/983960481.db2.gz QDCNUHPCBIVVQB-UHFFFAOYSA-N -1 0 305.349 3.989 20 30 DHEDRM C=C[C@H]1CCCCN1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001588719496 983961083 /nfs/dbraw/zinc/96/10/83/983961083.db2.gz UZPCQRLKESBQLE-CJNGLKHVSA-N -1 0 316.401 3.522 20 30 DHEDRM C=CCC(CC=C)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001588737895 984030388 /nfs/dbraw/zinc/03/03/88/984030388.db2.gz URYVAFCTPCEMHC-UHFFFAOYSA-N -1 0 311.740 3.884 20 30 DHEDRM C=CCC(F)(F)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC001588742332 984031883 /nfs/dbraw/zinc/03/18/83/984031883.db2.gz AXYMORUZDWDEQS-UHFFFAOYSA-N -1 0 317.357 3.894 20 30 DHEDRM C=CC[C@H](Sc1cc(Br)ccc1OC)C(=O)[O-] ZINC001588759129 984110008 /nfs/dbraw/zinc/11/00/08/984110008.db2.gz PYZCDSQFXPOOMH-JTQLQIEISA-N -1 0 317.204 3.579 20 30 DHEDRM C=CCC1(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)CCCCC1 ZINC001588761717 984114357 /nfs/dbraw/zinc/11/43/57/984114357.db2.gz ALYJGKYOZDAOLH-MRXNPFEDSA-N -1 0 321.461 3.910 20 30 DHEDRM C=CC[C@H](Sc1nnc(C[C@@H](C)c2ccccc2)o1)C(=O)[O-] ZINC001588763637 984120050 /nfs/dbraw/zinc/12/00/50/984120050.db2.gz UZWDNLZEUFUCSD-YPMHNXCESA-N -1 0 318.398 3.537 20 30 DHEDRM C=CCC1(C(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)CCCC1 ZINC001588765308 984126101 /nfs/dbraw/zinc/12/61/01/984126101.db2.gz XCPXOPUNCAYUBU-UHFFFAOYSA-N -1 0 308.765 3.508 20 30 DHEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001588771501 984140286 /nfs/dbraw/zinc/14/02/86/984140286.db2.gz WERYGHZAWDCDFU-BBRMVZONSA-N -1 0 316.401 3.950 20 30 DHEDRM C=CC[C@@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001588772781 984144712 /nfs/dbraw/zinc/14/47/12/984144712.db2.gz MZUMEHZZIZLVQR-SNVBAGLBSA-N -1 0 324.764 3.739 20 30 DHEDRM C=CCCC1(CNC(=O)c2ccc(C(=O)[O-])cc2)CCCC1 ZINC001588782482 984172288 /nfs/dbraw/zinc/17/22/88/984172288.db2.gz VOSVHYZHXQYEOH-UHFFFAOYSA-N -1 0 301.386 3.641 20 30 DHEDRM C=CCC[C@H]1CCCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001588782642 984173387 /nfs/dbraw/zinc/17/33/87/984173387.db2.gz XOGGVDUFTKENKR-LBPRGKRZSA-N -1 0 307.777 3.609 20 30 DHEDRM C=CCCC[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1OCC ZINC001588782586 984173601 /nfs/dbraw/zinc/17/36/01/984173601.db2.gz JIVLTMXRAXDFCD-LBPRGKRZSA-N -1 0 320.389 3.650 20 30 DHEDRM C=CCCC[C@H](NC(=O)[C@H](CC)CC1CCCCC1)C(=O)[O-] ZINC001588785561 984181282 /nfs/dbraw/zinc/18/12/82/984181282.db2.gz IUOPKUFVWAMNLR-CVEARBPZSA-N -1 0 309.450 3.909 20 30 DHEDRM C=CCCC[C@@H](NC(=O)[C@@H](CC)CC1CCCCC1)C(=O)[O-] ZINC001588785565 984181685 /nfs/dbraw/zinc/18/16/85/984181685.db2.gz IUOPKUFVWAMNLR-JKSUJKDBSA-N -1 0 309.450 3.909 20 30 DHEDRM C=CCCC[C@@H](NC(=O)C[C@@H](CC)c1ccc(C)cc1)C(=O)[O-] ZINC001588789526 984199172 /nfs/dbraw/zinc/19/91/72/984199172.db2.gz DMAUQJZZFXXNSU-NVXWUHKLSA-N -1 0 317.429 3.804 20 30 DHEDRM C=CCCC[C@H](NC(=O)c1cccc(C(C)(C)C)c1)C(=O)[O-] ZINC001588793540 984220184 /nfs/dbraw/zinc/22/01/84/984220184.db2.gz SHRWBEKVJDSGTE-HNNXBMFYSA-N -1 0 303.402 3.523 20 30 DHEDRM C=CCCCN(CC)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001588801558 984246287 /nfs/dbraw/zinc/24/62/87/984246287.db2.gz OJYSHYDRGHLBLE-UHFFFAOYSA-N -1 0 310.781 3.858 20 30 DHEDRM C=CCCCN(C)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001588801683 984247018 /nfs/dbraw/zinc/24/70/18/984247018.db2.gz TUYCXOUGHWHURC-UHFFFAOYSA-N -1 0 314.744 3.607 20 30 DHEDRM C=CCCN(C)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC001588805643 984254671 /nfs/dbraw/zinc/25/46/71/984254671.db2.gz IYZHHIREVOPQRG-UHFFFAOYSA-N -1 0 310.419 3.784 20 30 DHEDRM C=CCN(C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C)C(C)C ZINC001588820699 984285371 /nfs/dbraw/zinc/28/53/71/984285371.db2.gz OHZXVIBILRTLFQ-UHFFFAOYSA-N -1 0 320.389 3.600 20 30 DHEDRM C=CCN(CC1CCCCC1)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001588823933 984294402 /nfs/dbraw/zinc/29/44/02/984294402.db2.gz DZYAORKJDPJASQ-UHFFFAOYSA-N -1 0 319.445 3.616 20 30 DHEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CCCCC ZINC001588881642 984461035 /nfs/dbraw/zinc/46/10/35/984461035.db2.gz DHQTXRGKRKYDGU-UHFFFAOYSA-N -1 0 306.358 3.608 20 30 DHEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H](C)[C@@H](C)CC ZINC001588882458 984462933 /nfs/dbraw/zinc/46/29/33/984462933.db2.gz UMZUPSUJMIODBE-NWDGAFQWSA-N -1 0 320.385 3.710 20 30 DHEDRM C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(C(=O)[O-])n1 ZINC001588886199 984471203 /nfs/dbraw/zinc/47/12/03/984471203.db2.gz FBLHLVVIKUEKRP-UHFFFAOYSA-N -1 0 324.380 3.884 20 30 DHEDRM C=CCn1c2ccccc2nc1S[C@H](C(=O)[O-])[C@H](C)CC ZINC001588905654 984537764 /nfs/dbraw/zinc/53/77/64/984537764.db2.gz ZXZQYBZAPDCGJT-RISCZKNCSA-N -1 0 304.415 3.814 20 30 DHEDRM CCC[C@H](C#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843569553 1015188687 /nfs/dbraw/zinc/18/86/87/1015188687.db2.gz DKCXXQKGRMLOKS-MRVPVSSYSA-N -1 0 321.154 3.894 20 30 DHEDRM O=C([O-])c1cc(C(=O)/C=C\c2cc(F)c(F)cc2F)cs1 ZINC000255359707 1015217959 /nfs/dbraw/zinc/21/79/59/1015217959.db2.gz ISAIZIYNRSOZER-UPHRSURJSA-N -1 0 312.268 3.760 20 30 DHEDRM C[C@H]1Cc2cccc(F)c2N(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001594620308 986657077 /nfs/dbraw/zinc/65/70/77/986657077.db2.gz NKXCYFVGWAMEFA-LBPRGKRZSA-N -1 0 324.355 3.594 20 30 DHEDRM C[C@@H]1c2c(F)cccc2CCN1Cc1cccc(C(=O)[O-])c1C#N ZINC001594666435 986965557 /nfs/dbraw/zinc/96/55/57/986965557.db2.gz VYFNDWFRTFQFBR-GFCCVEGCSA-N -1 0 324.355 3.515 20 30 DHEDRM C[C@H]1c2c(F)cccc2CCN1Cc1cccc(C(=O)[O-])c1C#N ZINC001594666436 986965827 /nfs/dbraw/zinc/96/58/27/986965827.db2.gz VYFNDWFRTFQFBR-LBPRGKRZSA-N -1 0 324.355 3.515 20 30 DHEDRM CSc1ccc2c(c1)CC/C(=C\c1cc(C(=O)[O-])co1)C2=O ZINC001599822524 988539396 /nfs/dbraw/zinc/53/93/96/988539396.db2.gz KABZQRUDCPDCIC-IZZDOVSWSA-N -1 0 314.362 3.912 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccc(OC(F)F)cc2)c1 ZINC000255372728 1015456388 /nfs/dbraw/zinc/45/63/88/1015456388.db2.gz XZMVEFQDSXBOOS-NVMNQCDNSA-N -1 0 322.267 3.521 20 30 DHEDRM CCc1oc(CNc2ccc(C3CC3)c(C#N)c2)cc1C(=O)[O-] ZINC001597804766 989408470 /nfs/dbraw/zinc/40/84/70/989408470.db2.gz LXQWUECDXRDRQQ-UHFFFAOYSA-N -1 0 310.353 3.901 20 30 DHEDRM CC(C)(C)c1ccc(C#N)c(OC[C@@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC001590472061 990042975 /nfs/dbraw/zinc/04/29/75/990042975.db2.gz HIMZCLPAOCOUCT-UONOGXRCSA-N -1 0 316.401 3.521 20 30 DHEDRM CC1(C)CCCC[C@@H]1C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000329121114 1015643761 /nfs/dbraw/zinc/64/37/61/1015643761.db2.gz VZOZGUMVSYYELB-CYBMUJFWSA-N -1 0 314.389 3.982 20 30 DHEDRM CN(Cc1cc(C#N)cs1)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001598506835 992514611 /nfs/dbraw/zinc/51/46/11/992514611.db2.gz GXBFGRBUEZAOJW-CQSZACIVSA-N -1 0 320.801 3.531 20 30 DHEDRM C[C@H](C(=O)Nc1cc(C#N)ccc1[O-])c1ccc(Cl)s1 ZINC000176181049 1015779472 /nfs/dbraw/zinc/77/94/72/1015779472.db2.gz FJSKSQKFAXINSU-QMMMGPOBSA-N -1 0 306.774 3.721 20 30 DHEDRM CC(C)[C@H]1N(C(=O)c2ccc(C#N)c(O)c2)CC12CCCCC2 ZINC000458182961 1015816648 /nfs/dbraw/zinc/81/66/48/1015816648.db2.gz IPRIQBLQPWKHSJ-QGZVFWFLSA-N -1 0 312.413 3.695 20 30 DHEDRM Cc1nc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c(C)o1 ZINC000346407564 1015842384 /nfs/dbraw/zinc/84/23/84/1015842384.db2.gz CWRTVEYDHLGPGO-JTQLQIEISA-N -1 0 303.387 3.536 20 30 DHEDRM C[C@H](Nc1ccc(Oc2ccccc2)c(C#N)c1)[C@@H]1C[C@H]1C(=O)[O-] ZINC001593365688 995042777 /nfs/dbraw/zinc/04/27/77/995042777.db2.gz GOADWBFVSWOPHQ-AFAVFJNCSA-N -1 0 322.364 3.872 20 30 DHEDRM COc1cccc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)c1OC ZINC000588480351 1015955611 /nfs/dbraw/zinc/95/56/11/1015955611.db2.gz OMWZSWGBEXNNDB-VURMDHGXSA-N -1 0 318.756 3.959 20 30 DHEDRM O=C(/C=C\c1csc([N+](=O)[O-])c1)c1ccc([O-])c(Cl)c1 ZINC000588480331 1015956194 /nfs/dbraw/zinc/95/61/94/1015956194.db2.gz GGTGILQXRHDFIU-IWQZZHSRSA-N -1 0 309.730 3.911 20 30 DHEDRM Cc1cccn2c(/C=C\C(=O)c3ccc([O-])c(Cl)c3)cnc12 ZINC000588480308 1015956692 /nfs/dbraw/zinc/95/66/92/1015956692.db2.gz XRKKVEFALQYORY-ALCCZGGFSA-N -1 0 312.756 3.898 20 30 DHEDRM O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1ccc([O-])c(Cl)c1 ZINC000588480266 1015956883 /nfs/dbraw/zinc/95/68/83/1015956883.db2.gz KNTOLKHMZJXIMG-XQRVVYSFSA-N -1 0 303.701 3.850 20 30 DHEDRM CC1(C)C/C(=C\c2cccc(C(=O)[O-])n2)C(=O)c2ccccc21 ZINC001593842538 996604144 /nfs/dbraw/zinc/60/41/44/996604144.db2.gz OMQBHCWAYFNOJY-ZRDIBKRKSA-N -1 0 307.349 3.727 20 30 DHEDRM CC1(C)CC(CNc2ccc(C(=O)[O-])nc2C#N)CC(C)(C)C1 ZINC001593854774 996638304 /nfs/dbraw/zinc/63/83/04/996638304.db2.gz PVHDVYNDQIKCIG-UHFFFAOYSA-N -1 0 315.417 3.916 20 30 DHEDRM O=C(/C=C\c1cccc2c1OCCCO2)c1ccc([O-])c(F)c1 ZINC000728438583 1016157635 /nfs/dbraw/zinc/15/76/35/1016157635.db2.gz IAVKCAOXAPHROH-ALCCZGGFSA-N -1 0 314.312 3.589 20 30 DHEDRM COc1ccc(/C=C/C(=O)[O-])cc1OCc1ccc(C)c(C#N)c1 ZINC001599546935 997939311 /nfs/dbraw/zinc/93/93/11/997939311.db2.gz PWAPESHWAACWGK-SOFGYWHQSA-N -1 0 323.348 3.552 20 30 DHEDRM COc1ccc(/C=C\C(=O)[O-])cc1OCC1CCC(C#N)CC1 ZINC001599547649 997951560 /nfs/dbraw/zinc/95/15/60/997951560.db2.gz XVZZZTQUWKTEJH-CLFYSBASSA-N -1 0 315.369 3.502 20 30 DHEDRM COc1ccc(C#N)cc1N[C@H]1CCC[C@H](CCCC(=O)[O-])C1 ZINC001599477041 998549798 /nfs/dbraw/zinc/54/97/98/998549798.db2.gz UYDFYNUAAVPGEE-HIFRSBDPSA-N -1 0 316.401 3.792 20 30 DHEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(O)cc1[O-] ZINC000588508668 1016518286 /nfs/dbraw/zinc/51/82/86/1016518286.db2.gz CLAWOIHYGMPUER-KXFIGUGUSA-N -1 0 319.700 3.556 20 30 DHEDRM COc1ccc(C(=O)/C=C\c2ccc(O[C@H](C)C#N)cc2)c([O-])c1 ZINC000255517945 1016976590 /nfs/dbraw/zinc/97/65/90/1016976590.db2.gz BAKROZKXLQFSIJ-OMPYUXFZSA-N -1 0 323.348 3.588 20 30 DHEDRM C[C@H]1CCC[C@H](CC(=O)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000080252431 1032295629 /nfs/dbraw/zinc/29/56/29/1032295629.db2.gz JDDHXUBKUVSICB-RYUDHWBXSA-N -1 0 313.394 3.687 20 30 DHEDRM CC(C)S(=O)(=O)[N-]C(=O)CCc1ccc(Cl)cc1Cl ZINC000049417530 1011901572 /nfs/dbraw/zinc/90/15/72/1011901572.db2.gz NXBWTZRWYPAEOU-UHFFFAOYSA-N -1 0 324.229 3.621 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1N=NC[C@@H]1C(C)=CCC[C@@H]1C ZINC000773205802 1032635016 /nfs/dbraw/zinc/63/50/16/1032635016.db2.gz ASMZJMCBWVMQJA-GXTWGEPZSA-N -1 0 302.374 3.784 20 30 DHEDRM C=CCOc1ccccc1C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000255521724 1017171093 /nfs/dbraw/zinc/17/10/93/1017171093.db2.gz DPFNWXOOYHQBHT-XFXZXTDPSA-N -1 0 323.348 3.602 20 30 DHEDRM N#CC(=C([O-])c1ccc2ncccc2c1)c1nc2ccccc2o1 ZINC000179008947 1017205035 /nfs/dbraw/zinc/20/50/35/1017205035.db2.gz GBEXSGMKIWXPJF-AWEZNQCLSA-N -1 0 313.316 3.866 20 30 DHEDRM COc1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1Cl ZINC000764414935 1018278397 /nfs/dbraw/zinc/27/83/97/1018278397.db2.gz VQGMGHMOMBYYRV-RQZCQDPDSA-N -1 0 320.732 3.582 20 30 DHEDRM Cc1cc(C(C#N)=C([O-])c2cc3ccccc3s2)nc(C)n1 ZINC000041562820 1018314645 /nfs/dbraw/zinc/31/46/45/1018314645.db2.gz HIKZFWLSEBFFMJ-ZDUSSCGKSA-N -1 0 307.378 3.798 20 30 DHEDRM CC(=NNc1cccc2ncccc21)c1cccc(C(=O)[O-])c1 ZINC000764683314 1018348897 /nfs/dbraw/zinc/34/88/97/1018348897.db2.gz SMUFYUTVWKVIII-UHFFFAOYSA-N -1 0 305.337 3.769 20 30 DHEDRM Cc1cc(C(F)(F)F)ccc1CN=Nc1ccc(C(=O)[O-])cn1 ZINC000785457243 1018942738 /nfs/dbraw/zinc/94/27/38/1018942738.db2.gz GSYYDSSHGNZNSB-UHFFFAOYSA-N -1 0 323.274 3.553 20 30 DHEDRM CCc1nc(C([O-])=C(C#N)c2ccc3ccccc3n2)c(C)o1 ZINC000671746209 1019293652 /nfs/dbraw/zinc/29/36/52/1019293652.db2.gz WCWXMWWAIYNTAI-ZDUSSCGKSA-N -1 0 305.337 3.584 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])C=CSCc2ccco2)n1 ZINC000255593071 1019300340 /nfs/dbraw/zinc/30/03/40/1019300340.db2.gz NHWNUQFZGKJTPC-TXNVCOODSA-N -1 0 304.396 3.668 20 30 DHEDRM CCCc1nc(C([O-])=C(C#N)c2nc3ccccc3s2)co1 ZINC000338621079 1019350952 /nfs/dbraw/zinc/35/09/52/1019350952.db2.gz BIGFUPKTBXCLAO-SNVBAGLBSA-N -1 0 311.366 3.727 20 30 DHEDRM O=C([O-])c1ccc(NN=Cc2cccc(OC(F)(F)F)c2)cc1 ZINC000727972275 1019852379 /nfs/dbraw/zinc/85/23/79/1019852379.db2.gz QNTMNESODBWBHW-UHFFFAOYSA-N -1 0 324.258 3.729 20 30 DHEDRM C=CCOc1ccc(/C=C/C(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000730149479 1019953480 /nfs/dbraw/zinc/95/34/80/1019953480.db2.gz XMOMWZHVTPGHDB-VMPITWQZSA-N -1 0 314.362 3.907 20 30 DHEDRM COc1ccc(/C=C\C(=O)c2csc(C(=O)[O-])c2)cc1C ZINC000730148448 1019953761 /nfs/dbraw/zinc/95/37/61/1019953761.db2.gz GSGPYBFAXGPWHC-HYXAFXHYSA-N -1 0 302.351 3.659 20 30 DHEDRM C=CCOc1ccc(/C=C\C(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000730149482 1019954145 /nfs/dbraw/zinc/95/41/45/1019954145.db2.gz XMOMWZHVTPGHDB-YVMONPNESA-N -1 0 314.362 3.907 20 30 DHEDRM COc1ccc(C)cc1/C=C\C(=O)c1ccc(C(=O)[O-])s1 ZINC000730588631 1020007326 /nfs/dbraw/zinc/00/73/26/1020007326.db2.gz BJBFPWLQASBDNW-PLNGDYQASA-N -1 0 302.351 3.659 20 30 DHEDRM Cc1ccc2c(c1)C(=O)/C(=C\c1cccc(O[C@@H](C)C(=O)[O-])c1)C2 ZINC000730948865 1020043935 /nfs/dbraw/zinc/04/39/35/1020043935.db2.gz NRRFUBHDORJLJY-LWLPBDFMSA-N -1 0 322.360 3.669 20 30 DHEDRM Cc1ccc2c(c1)C(=O)/C(=C/c1cccc(OCCC(=O)[O-])c1)C2 ZINC000730949592 1020044561 /nfs/dbraw/zinc/04/45/61/1020044561.db2.gz YSFNPUSYNPFOHR-MHWRWJLKSA-N -1 0 322.360 3.671 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2OCC(C)C)n1 ZINC000731409874 1020102639 /nfs/dbraw/zinc/10/26/39/1020102639.db2.gz BEZHZMGVHJWOBC-AWEZNQCLSA-N -1 0 314.410 3.976 20 30 DHEDRM CC(=O)c1csc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647377996 1020259085 /nfs/dbraw/zinc/25/90/85/1020259085.db2.gz IDQQAUFHQCRHHB-LLVKDONJSA-N -1 0 316.407 3.775 20 30 DHEDRM CSCCc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000255736777 1020344853 /nfs/dbraw/zinc/34/48/53/1020344853.db2.gz RKMRAEFYUSEAMP-UHFFFAOYSA-N -1 0 316.382 3.957 20 30 DHEDRM O=C([O-])COc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1 ZINC000733205540 1020345454 /nfs/dbraw/zinc/34/54/54/1020345454.db2.gz YXXIKWDTJZEPEM-BQYQJAHWSA-N -1 0 316.740 3.700 20 30 DHEDRM CCCc1ccc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)cc1 ZINC000733206927 1020354564 /nfs/dbraw/zinc/35/45/64/1020354564.db2.gz SOHGPYZUCJFVMW-FMIVXFBMSA-N -1 0 324.376 3.999 20 30 DHEDRM CCCc1nc(C([O-])=C(C#N)c2nc(C(C)C)cs2)co1 ZINC000338674448 1020376525 /nfs/dbraw/zinc/37/65/25/1020376525.db2.gz JSXFPZBJVUADRQ-SNVBAGLBSA-N -1 0 303.387 3.697 20 30 DHEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1occc1-c1ccccc1 ZINC000073837451 1020393662 /nfs/dbraw/zinc/39/36/62/1020393662.db2.gz CVIQPBOPQBDSSP-UHFFFAOYSA-N -1 0 321.398 3.770 20 30 DHEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cc(C)n(C(C)C)c1C ZINC000073838337 1020401084 /nfs/dbraw/zinc/40/10/84/1020401084.db2.gz FJOFCABIQKNCMK-UHFFFAOYSA-N -1 0 314.451 3.509 20 30 DHEDRM Cc1c(C#N)cccc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000338677807 1020414033 /nfs/dbraw/zinc/41/40/33/1020414033.db2.gz UJFKUTTYTSEWJF-CQSZACIVSA-N -1 0 309.394 3.937 20 30 DHEDRM COc1ccc(C(=O)/C=C/c2cnc(C(C)C)s2)c([O-])c1 ZINC000125619486 1032900727 /nfs/dbraw/zinc/90/07/27/1032900727.db2.gz BKLZCDZIMLWPBK-FNORWQNLSA-N -1 0 303.383 3.877 20 30 DHEDRM N#Cc1ccc([O-])c(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)c1 ZINC000179741022 1020436139 /nfs/dbraw/zinc/43/61/39/1020436139.db2.gz XBSLABPDBCMECA-UHFFFAOYSA-N -1 0 321.311 3.650 20 30 DHEDRM Cc1n[nH]c(C)c1/C=C\C(=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000766033919 1020514936 /nfs/dbraw/zinc/51/49/36/1020514936.db2.gz LFCMYQAJRCKRJL-ARJAWSKDSA-N -1 0 311.168 3.935 20 30 DHEDRM C=CCOc1cccc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)c1 ZINC000177449019 1020661963 /nfs/dbraw/zinc/66/19/63/1020661963.db2.gz DPABMPLFQTYTEM-CDJQDVQCSA-N -1 0 313.378 3.976 20 30 DHEDRM Cc1ccc(F)c(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000734977007 1020683657 /nfs/dbraw/zinc/68/36/57/1020683657.db2.gz YQDOXFKFHMPISM-UHFFFAOYSA-N -1 0 306.724 3.932 20 30 DHEDRM CCO[C@H]1CC(N=Nc2ccc(C(=O)[O-])cc2)C12CCCCC2 ZINC000741450651 1021011909 /nfs/dbraw/zinc/01/19/09/1021011909.db2.gz 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1021626127 /nfs/dbraw/zinc/62/61/27/1021626127.db2.gz QENZZWAHQNFDKJ-LLVKDONJSA-N -1 0 310.382 3.633 20 30 DHEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2ccc(F)cc2)c1)C(=O)[O-] ZINC000745021487 1021642074 /nfs/dbraw/zinc/64/20/74/1021642074.db2.gz PQEVNPCMJUFGAZ-UMAGTOLTSA-N -1 0 314.312 3.574 20 30 DHEDRM C[C@@H](Oc1cccc(/C=C\C(=O)c2ccc(F)cc2)c1)C(=O)[O-] ZINC000208114092 1021713595 /nfs/dbraw/zinc/71/35/95/1021713595.db2.gz GIYYCPNXTXJEIN-DUWGPSABSA-N -1 0 314.312 3.574 20 30 DHEDRM CC(C)(C)c1ncc(C=NNc2ccc(C(=O)[O-])cc2)s1 ZINC000920358869 1022108596 /nfs/dbraw/zinc/10/85/96/1022108596.db2.gz CRSJMECDTMLTIN-UHFFFAOYSA-N -1 0 303.387 3.585 20 30 DHEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000766454616 1022115755 /nfs/dbraw/zinc/11/57/55/1022115755.db2.gz XEINPHRFGFXBGR-UHFFFAOYSA-N -1 0 317.476 3.694 20 30 DHEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N/CC1SCCS1 ZINC000852998551 1022192843 /nfs/dbraw/zinc/19/28/43/1022192843.db2.gz OGQKHMODHSGAAO-LHHJGKSTSA-N -1 0 308.255 3.924 20 30 DHEDRM CCSC1(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000852998365 1022192863 /nfs/dbraw/zinc/19/28/63/1022192863.db2.gz LMOJLJATFWPNPT-VIZOYTHASA-N -1 0 314.794 3.658 20 30 DHEDRM COC[C@@H](C)Oc1ccc(/C=C2\Cc3cc(O)ccc3C2=O)cc1 ZINC000853007154 1022195546 /nfs/dbraw/zinc/19/55/46/1022195546.db2.gz QEKWRCKGWOKDTR-BPKVKKHESA-N -1 0 324.376 3.628 20 30 DHEDRM CC(CSCCF)N=Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000853258181 1022246951 /nfs/dbraw/zinc/24/69/51/1022246951.db2.gz KEHSTCULPDJZDY-UHFFFAOYSA-N -1 0 304.774 3.529 20 30 DHEDRM CO[C@@H](CN=Nc1ccc(C(=O)[O-])cc1F)C1CCCCC1 ZINC000853354223 1022262582 /nfs/dbraw/zinc/26/25/82/1022262582.db2.gz ACUPRKSBIWMDHH-HNNXBMFYSA-N -1 0 308.353 3.517 20 30 DHEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)=NOCC1CCC1 ZINC000853441638 1022274604 /nfs/dbraw/zinc/27/46/04/1022274604.db2.gz ZQWWEEQLSYDDQF-UHFFFAOYSA-N -1 0 319.401 3.665 20 30 DHEDRM COc1ccc(C)cc1C(=O)/C=C/c1cc(F)c([O-])c(F)c1 ZINC000175322168 1022340364 /nfs/dbraw/zinc/34/03/64/1022340364.db2.gz GMWORWDLBTXWAI-SNAWJCMRSA-N -1 0 304.292 3.884 20 30 DHEDRM C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1cccc(F)c1F ZINC000766670198 1022365524 /nfs/dbraw/zinc/36/55/24/1022365524.db2.gz CPXMTGWLUNKCSG-SEYNJHBTSA-N -1 0 306.268 3.759 20 30 DHEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2)C1CC1 ZINC000064667478 1022397339 /nfs/dbraw/zinc/39/73/39/1022397339.db2.gz AAPQVDPBMWWHMI-LBPRGKRZSA-N -1 0 321.442 3.647 20 30 DHEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@H]2CCCC(F)(F)C2)c1[O-] ZINC000767690611 1022783274 /nfs/dbraw/zinc/78/32/74/1022783274.db2.gz RTTKJFONZWGZCK-GBYSLYJZSA-N -1 0 318.707 3.951 20 30 DHEDRM O=C(/C=C/c1cccc2cnccc12)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000180933361 1022899881 /nfs/dbraw/zinc/89/98/81/1022899881.db2.gz IHZCJOFDCSDMIB-GQCTYLIASA-N -1 0 320.304 3.745 20 30 DHEDRM CCc1nc2ccccc2n1N=Cc1cc(Cl)cc(F)c1[O-] ZINC000768355873 1022952740 /nfs/dbraw/zinc/95/27/40/1022952740.db2.gz SORCJCUJASANRA-UHFFFAOYSA-N -1 0 317.751 3.979 20 30 DHEDRM O=C(/C=C\c1ccc([N+](=O)[O-])cc1F)c1ccc([O-])c(Cl)c1 ZINC000768758384 1023023121 /nfs/dbraw/zinc/02/31/21/1023023121.db2.gz SMKQJGKDCXFIQM-DJWKRKHSSA-N -1 0 321.691 3.989 20 30 DHEDRM CCn1nc(/C=C\C(=O)c2ccc(F)cc2[O-])c2ccccc21 ZINC000769746776 1023209114 /nfs/dbraw/zinc/20/91/14/1023209114.db2.gz MNYFBLAIXCAVBE-KTKRTIGZSA-N -1 0 310.328 3.797 20 30 DHEDRM O=C([N-][C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C(F)(F)F ZINC000769788258 1023214036 /nfs/dbraw/zinc/21/40/36/1023214036.db2.gz VWCPLFJOFKJDFM-ZETCQYMHSA-N -1 0 323.595 3.761 20 30 DHEDRM Cc1cc(C(C#N)=C([O-])c2cc3cccc(C)c3o2)nc(C)n1 ZINC000147022319 1023316212 /nfs/dbraw/zinc/31/62/12/1023316212.db2.gz UUZDRNKSIYPZHY-CQSZACIVSA-N -1 0 305.337 3.638 20 30 DHEDRM Cc1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)nn1C(C)C ZINC000651584850 1023355246 /nfs/dbraw/zinc/35/52/46/1023355246.db2.gz WPZMMIVYBDVWAN-HNNXBMFYSA-N -1 0 318.380 3.811 20 30 DHEDRM O=C(C=Cc1ccc(Cl)c([N+](=O)[O-])c1)c1sccc1[O-] ZINC000771744219 1023465493 /nfs/dbraw/zinc/46/54/93/1023465493.db2.gz KKCYHILQECOWEM-RQOWECAXSA-N -1 0 309.730 3.911 20 30 DHEDRM CCOc1cccnc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000093243459 1023549113 /nfs/dbraw/zinc/54/91/13/1023549113.db2.gz JTNOSHTZQTXTTI-LLVKDONJSA-N -1 0 323.377 3.580 20 30 DHEDRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1ccc(C#N)c([O-])c1 ZINC000785566097 1023594636 /nfs/dbraw/zinc/59/46/36/1023594636.db2.gz CZFVMQJENKBXIM-UHFFFAOYSA-N -1 0 320.392 3.764 20 30 DHEDRM O=C([O-])c1cccc(/C=C2\Oc3ccc(F)cc3C2=O)c1Cl ZINC000787167477 1023766396 /nfs/dbraw/zinc/76/63/96/1023766396.db2.gz CXLGABFDGLUTDL-MLPAPPSSSA-N -1 0 318.687 3.794 20 30 DHEDRM O=C([O-])COc1cccc(C(=O)/C=C/C=C\c2ccccc2)c1 ZINC000746683999 1023795365 /nfs/dbraw/zinc/79/53/65/1023795365.db2.gz SYTTULMEQTZPGJ-AGGGZFENSA-N -1 0 308.333 3.602 20 30 DHEDRM Cc1ccc2c(c1)C/C(=C\c1cccc(O[C@@H](C)C(=O)[O-])c1)C2=O ZINC000746683786 1023795474 /nfs/dbraw/zinc/79/54/74/1023795474.db2.gz GHQNAWKTVSVGLD-WFSQQTBHSA-N -1 0 322.360 3.669 20 30 DHEDRM C[C@H](Oc1cccc(C(=O)/C=C/C=C\c2ccccc2)c1)C(=O)[O-] ZINC000746684997 1023796880 /nfs/dbraw/zinc/79/68/80/1023796880.db2.gz WSGGRTPMEOJDOV-XRBDCACKSA-N -1 0 322.360 3.991 20 30 DHEDRM O=C([N-][C@H](c1ccccc1C(F)(F)F)C(F)(F)F)C(F)F ZINC000787511581 1023797769 /nfs/dbraw/zinc/79/77/69/1023797769.db2.gz UUOFOLCXBWBGBN-SSDOTTSWSA-N -1 0 321.167 3.690 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@H]2CCC3(CCCCC3)O2)c1 ZINC000790100524 1024224979 /nfs/dbraw/zinc/22/49/79/1024224979.db2.gz WNFPZHNFRCNGFK-CLXYIWAZSA-N -1 0 318.373 3.601 20 30 DHEDRM O=[N+]([O-])c1c(F)cccc1N=NCc1ccc(O)c(Cl)c1 ZINC000790311147 1024265720 /nfs/dbraw/zinc/26/57/20/1024265720.db2.gz XTCZSKMREOSQGO-UHFFFAOYSA-N -1 0 309.684 3.539 20 30 DHEDRM Cc1cc(C#N)ccc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000132259838 1024466831 /nfs/dbraw/zinc/46/68/31/1024466831.db2.gz LSAITLCXPHGMPZ-UHFFFAOYSA-N -1 0 309.350 3.549 20 30 DHEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)nn1C(C)C ZINC000453563842 1024532150 /nfs/dbraw/zinc/53/21/50/1024532150.db2.gz FWROMAFYTKECBQ-LBPRGKRZSA-N -1 0 324.409 3.872 20 30 DHEDRM O=C([O-])COc1ccc(C=NNc2cccc3ccccc32)cc1 ZINC000747059880 1024646235 /nfs/dbraw/zinc/64/62/35/1024646235.db2.gz DLDJKNCNMXQGKC-UHFFFAOYSA-N -1 0 320.348 3.749 20 30 DHEDRM COc1ccc(C(=O)/C=C/c2cncc3ccccc23)c([O-])c1 ZINC000772802543 1024692867 /nfs/dbraw/zinc/69/28/67/1024692867.db2.gz RHGXLFVWWVZWIC-RMKNXTFCSA-N -1 0 305.333 3.845 20 30 DHEDRM O=C1c2cc(Cl)ccc2OC/C1=C\c1cc(F)c([O-])c(F)c1 ZINC000783715297 1024700649 /nfs/dbraw/zinc/70/06/49/1024700649.db2.gz VSOLHFAZXJCDDT-YCRREMRBSA-N -1 0 322.694 3.983 20 30 DHEDRM CC[C@@H](C)n1nc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1C ZINC000350916516 1024864143 /nfs/dbraw/zinc/86/41/43/1024864143.db2.gz DOOGGHSHHJXRBT-YPMHNXCESA-N -1 0 322.368 3.794 20 30 DHEDRM CC[C@H](NN=C(C)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000793079866 1024879533 /nfs/dbraw/zinc/87/95/33/1024879533.db2.gz URVLEQXAHKZUIU-NSHDSACASA-N -1 0 322.714 3.536 20 30 DHEDRM CC[C@H](NN=C/C(C)=C/c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000793059067 1024892288 /nfs/dbraw/zinc/89/22/88/1024892288.db2.gz XYIQDIKQULJCHZ-ZOZCQNPYSA-N -1 0 314.307 3.547 20 30 DHEDRM C[C@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2cccnc2)CC(C)(C)C1 ZINC000067600261 1025878708 /nfs/dbraw/zinc/87/87/08/1025878708.db2.gz WIVMJCMFRMBKNW-QWHCGFSZSA-N -1 0 324.446 3.579 20 30 DHEDRM CCCn1nc(C)c(/C=C\C(=O)c2cccc(C(=O)[O-])c2)c1C ZINC000806558598 1025920964 /nfs/dbraw/zinc/92/09/64/1025920964.db2.gz HDFSCPPNIIPNCJ-HJWRWDBZSA-N -1 0 312.369 3.504 20 30 DHEDRM COc1cccc(/C=C2\C[C@H](C(=O)[O-])c3ccccc3C2=O)c1 ZINC000806561705 1025924817 /nfs/dbraw/zinc/92/48/17/1025924817.db2.gz YLMJLYTVVMCMES-VEMDQMBVSA-N -1 0 308.333 3.533 20 30 DHEDRM N#Cc1ccc(SCc2nc(=O)c3sccc3[n-]2)c(F)c1 ZINC000356052510 1025931411 /nfs/dbraw/zinc/93/14/11/1025931411.db2.gz GQDWUMFSZYISDZ-UHFFFAOYSA-N -1 0 317.370 3.700 20 30 DHEDRM N#CC(=C([O-])c1occc1-c1ccc(F)cc1)c1ccccn1 ZINC000152260036 1025934980 /nfs/dbraw/zinc/93/49/80/1025934980.db2.gz JWANZXSVVCGWDW-OAHLLOKOSA-N -1 0 306.296 3.971 20 30 DHEDRM N#Cc1nc(-c2cc(F)c([O-])c(F)c2)ccc1C(F)(F)F ZINC001244093526 1026081630 /nfs/dbraw/zinc/08/16/30/1026081630.db2.gz ZVWBPHXONCAUSH-UHFFFAOYSA-N -1 0 300.186 3.623 20 30 DHEDRM C=C[C@@](C)(CC)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807839078 1026124161 /nfs/dbraw/zinc/12/41/61/1026124161.db2.gz WLVHBQMHKHHQCV-AWEZNQCLSA-N -1 0 302.201 3.918 20 30 DHEDRM Fc1ccc(-c2n[n-]c(=S)n2N=CC=Cc2ccco2)cc1 ZINC000254836148 1026238994 /nfs/dbraw/zinc/23/89/94/1026238994.db2.gz NPQHXCUQPXVXTP-OCMLDYKBSA-N -1 0 314.345 3.887 20 30 DHEDRM Cc1cccc2c1C/C(=C/c1cccc(O[C@@H](C)C(=O)[O-])c1)C2=O ZINC000729151930 1026383969 /nfs/dbraw/zinc/38/39/69/1026383969.db2.gz YKMRUXJTWWOWCF-GRRFOWRYSA-N -1 0 322.360 3.669 20 30 DHEDRM CCc1ccc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)s1 ZINC000809155082 1026469329 /nfs/dbraw/zinc/46/93/29/1026469329.db2.gz OHIHCBBZGNLZJQ-DAXSKMNVSA-N -1 0 302.351 3.610 20 30 DHEDRM C[C@H](Oc1cccc(/C=C2/C(=O)c3ccccc3[C@@H]2C)c1)C(=O)[O-] ZINC000809156572 1026470784 /nfs/dbraw/zinc/47/07/84/1026470784.db2.gz MBUOYAFYPVGFHU-ISIGILQNSA-N -1 0 322.360 3.922 20 30 DHEDRM C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccc1C(F)(F)F ZINC000749356214 1026944966 /nfs/dbraw/zinc/94/49/66/1026944966.db2.gz ZZODDMQPKGYISI-LURJTMIESA-N -1 0 317.204 3.783 20 30 DHEDRM C#C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1 ZINC000811625982 1027038533 /nfs/dbraw/zinc/03/85/33/1027038533.db2.gz ZWOLRCDBOKDSDW-PACYTGELSA-N -1 0 314.728 3.747 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2ncoc2C2CC2)n1 ZINC000571468945 1027126995 /nfs/dbraw/zinc/12/69/95/1027126995.db2.gz MBCQQOKVKOIUBE-JTQLQIEISA-N -1 0 301.371 3.622 20 30 DHEDRM Cn1cc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)c(C(F)F)n1 ZINC000812241406 1027223898 /nfs/dbraw/zinc/22/38/98/1027223898.db2.gz CTDUCHIDRDVLJE-ARJAWSKDSA-N -1 0 312.703 3.613 20 30 DHEDRM CC(C)c1nc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)cs1 ZINC000812243945 1027224569 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CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000048567326 1028148549 /nfs/dbraw/zinc/14/85/49/1028148549.db2.gz UHERXFSSBOHEPA-ZDUSSCGKSA-N -1 0 315.410 3.828 20 30 DHEDRM C[C@H]1C(N=Nc2ccc([N+](=O)[O-])cc2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814683116 1028151542 /nfs/dbraw/zinc/15/15/42/1028151542.db2.gz WWNDWVSTKRQYMZ-GXFFZTMASA-N -1 0 319.361 3.520 20 30 DHEDRM CC(C)c1nc(C#N)c(N=NC(C)CCCCCCC(=O)[O-])o1 ZINC000814820503 1028225625 /nfs/dbraw/zinc/22/56/25/1028225625.db2.gz GHYMXXUMWXLMSD-UHFFFAOYSA-N -1 0 320.393 3.883 20 30 DHEDRM CCCc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)o1 ZINC000578827588 1028250767 /nfs/dbraw/zinc/25/07/67/1028250767.db2.gz SHPSJQOFYWTJNL-LLVKDONJSA-N -1 0 309.325 3.567 20 30 DHEDRM COc1ccccc1CON=Cc1cc(C(=O)[O-])c(C)cc1C ZINC000814923814 1028283828 /nfs/dbraw/zinc/28/38/28/1028283828.db2.gz OTZGODCIMOHTAE-UHFFFAOYSA-N -1 0 313.353 3.561 20 30 DHEDRM O=C([O-])c1ccc2c(c1)CCCC2N=Nc1cccc(Cl)n1 ZINC000814938987 1028293988 /nfs/dbraw/zinc/29/39/88/1028293988.db2.gz 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ZINC000076760252 1028712782 /nfs/dbraw/zinc/71/27/82/1028712782.db2.gz OLJHCNNATAKMFV-SECBINFHSA-N -1 0 323.336 3.787 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1[C@@H](C)[C@@H]1C1CC1 ZINC000528913260 1028920921 /nfs/dbraw/zinc/92/09/21/1028920921.db2.gz MHJIOHPLPOWOKV-LIQONPQNSA-N -1 0 320.392 3.660 20 30 DHEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)CCCc1cccs1 ZINC000042242644 1028939571 /nfs/dbraw/zinc/93/95/71/1028939571.db2.gz SGUHFHQHXSNYPQ-UHFFFAOYSA-N -1 0 323.439 3.725 20 30 DHEDRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)C1CC=CC1 ZINC000077940313 1029181695 /nfs/dbraw/zinc/18/16/95/1029181695.db2.gz OUVPHOOSOUZNNN-UHFFFAOYSA-N -1 0 321.442 3.904 20 30 DHEDRM Cn1ccc2c1cccc2C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000077941385 1029182833 /nfs/dbraw/zinc/18/28/33/1029182833.db2.gz BJAPSWAHOVUKNG-CQSZACIVSA-N -1 0 315.332 3.810 20 30 DHEDRM CC[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1cccc(C#N)c1[O-] ZINC000925570895 1030409936 /nfs/dbraw/zinc/40/99/36/1030409936.db2.gz YSQMPSDLNJTUHI-GOSISDBHSA-N -1 0 324.428 3.816 20 30 DHEDRM Cc1cc(C(=O)/C=C\c2cc(C(=O)[O-])c(C)cc2C)ccc1O ZINC000794936236 1030414136 /nfs/dbraw/zinc/41/41/36/1030414136.db2.gz WQEYVXGYJGOGEY-DAXSKMNVSA-N -1 0 310.349 3.912 20 30 DHEDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C1/Cc2cc(F)ccc2C1=O ZINC000794941966 1030425244 /nfs/dbraw/zinc/42/52/44/1030425244.db2.gz DLDVCQSIMSHFES-NSIKDUERSA-N -1 0 310.324 3.963 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCCCCC#N ZINC000805845202 1030435986 /nfs/dbraw/zinc/43/59/86/1030435986.db2.gz RFLPPINMTZLSCD-OAHLLOKOSA-N -1 0 321.380 3.842 20 30 DHEDRM Cc1cc(C)c(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)s1 ZINC000870455281 1031007916 /nfs/dbraw/zinc/00/79/16/1031007916.db2.gz YFRDJJXJFZUIPD-OAHLLOKOSA-N -1 0 323.417 3.988 20 30 DHEDRM Cc1c(N=NC2CCC[C@@H]([C@@H]3CCOC3)C2)cccc1C(=O)[O-] ZINC000844623364 1031257172 /nfs/dbraw/zinc/25/71/72/1031257172.db2.gz MLGCCVMFCDBAND-ZIAGYGMSSA-N -1 0 316.401 3.688 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2ocnc2C(F)F)n1 ZINC000626355845 1031269237 /nfs/dbraw/zinc/26/92/37/1031269237.db2.gz DWDAZTAQJCZGOO-ZETCQYMHSA-N -1 0 311.313 3.682 20 30 DHEDRM CC(C)(CC(=O)[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000067784281 1031321179 /nfs/dbraw/zinc/32/11/79/1031321179.db2.gz MZZPTWFSMPRGNC-UHFFFAOYSA-N -1 0 317.410 3.700 20 30 DHEDRM CSCc1cc(C([O-])=C(C#N)c2nc(C)cs2)ccc1F ZINC000080251989 1031327389 /nfs/dbraw/zinc/32/73/89/1031327389.db2.gz ISMOZBITWQPXED-GFCCVEGCSA-N -1 0 320.414 3.944 20 30 DHEDRM O=C([O-])c1cccc(N=NCC2([C@H]3CCCCO3)CCC2)c1 ZINC000872325082 1031585502 /nfs/dbraw/zinc/58/55/02/1031585502.db2.gz BMOIKDMBVRCSQZ-OAHLLOKOSA-N -1 0 302.374 3.522 20 30 DHEDRM CC(C)(C)[C@@H]1CC(N=Nc2ccc(C(=O)[O-])c(F)c2)CCO1 ZINC000872379627 1031595962 /nfs/dbraw/zinc/59/59/62/1031595962.db2.gz FQRXROHPKMWWKG-AWEZNQCLSA-N -1 0 308.353 3.517 20 30 DHEDRM O=C([O-])c1ccc(N=NCC2([C@H]3CCCCO3)CCC2)cc1F ZINC000872379771 1031596344 /nfs/dbraw/zinc/59/63/44/1031596344.db2.gz KZNLJKPHUGEWSQ-OAHLLOKOSA-N -1 0 320.364 3.661 20 30 DHEDRM Cc1c(N=NCC2([C@@H]3CCCCO3)CCC2)cccc1C(=O)[O-] ZINC000872387323 1031596520 /nfs/dbraw/zinc/59/65/20/1031596520.db2.gz PYLZCTHKPXBDLL-INIZCTEOSA-N -1 0 316.401 3.830 20 30 DHEDRM CO[C@@H]1C[C@H](/N=C/c2cc(Cl)cc(Cl)c2[O-])C1(C)C ZINC000753136213 1031667017 /nfs/dbraw/zinc/66/70/17/1031667017.db2.gz CSDOELPNRSWQLO-QLMLRNMBSA-N -1 0 302.201 3.931 20 30 DHEDRM CC(C)[C@H](F)C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845833328 1031735092 /nfs/dbraw/zinc/73/50/92/1031735092.db2.gz FOKUJSPCJUCNAH-RISCZKNCSA-N -1 0 307.390 3.513 20 30 DHEDRM N#CC(C(=O)C[C@H]1C=CCC1)=C([O-])c1cc2c(s1)CCCC2 ZINC000845837152 1031736588 /nfs/dbraw/zinc/73/65/88/1031736588.db2.gz NZLCBBIVFJUISM-GXTWGEPZSA-N -1 0 313.422 3.875 20 30 DHEDRM Cc1ccc(C(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)nc1 ZINC000845838042 1031737063 /nfs/dbraw/zinc/73/70/63/1031737063.db2.gz QLISZKIHDGLYQG-CYBMUJFWSA-N -1 0 324.405 3.536 20 30 DHEDRM Cc1cc(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)ccc1F ZINC000845836898 1031737423 /nfs/dbraw/zinc/73/74/23/1031737423.db2.gz CRLVOSWMSVLCOO-MRXNPFEDSA-N -1 0 321.351 3.758 20 30 DHEDRM CCCC=CC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845837493 1031737948 /nfs/dbraw/zinc/73/79/48/1031737948.db2.gz ORGVSDIRNXJDEX-GBVBUYCNSA-N -1 0 301.411 3.875 20 30 DHEDRM CCc1ccc(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)s1 ZINC000845840362 1031739502 /nfs/dbraw/zinc/73/95/02/1031739502.db2.gz MIOURCWAQGMCOD-HNNXBMFYSA-N -1 0 323.417 3.934 20 30 DHEDRM C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1F ZINC000022769737 1033753643 /nfs/dbraw/zinc/75/36/43/1033753643.db2.gz KJGKYCYAMREFCU-SEYNJHBTSA-N -1 0 306.268 3.759 20 30 DHEDRM C=CCCC[C@@H](C(=O)[N-]OCc1cccnc1)c1ccccc1 ZINC000879249507 1033963938 /nfs/dbraw/zinc/96/39/38/1033963938.db2.gz SAKNOKZMTSDQDZ-GOSISDBHSA-N -1 0 310.397 3.770 20 30 DHEDRM C=C(Cl)C[C@@H](NC(=O)C[C@@H](CC)c1ccc(C)cc1)C(=O)[O-] ZINC000864185032 1034301544 /nfs/dbraw/zinc/30/15/44/1034301544.db2.gz VGHLBDSHVFQHDZ-UKRRQHHQSA-N -1 0 323.820 3.591 20 30 DHEDRM CC(C)(O)C#Cc1cccc(Nc2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001174497445 1034414787 /nfs/dbraw/zinc/41/47/87/1034414787.db2.gz SCMMXMTUQJNWBF-MDZDMXLPSA-N -1 0 321.376 3.650 20 30 DHEDRM N#Cc1cc(F)cc(F)c1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174497105 1034414803 /nfs/dbraw/zinc/41/48/03/1034414803.db2.gz FIBOGPMHHQHVST-SNAWJCMRSA-N -1 0 300.264 3.678 20 30 DHEDRM COC(=O)c1csc(C(=O)/C=C\c2ccc(O)c(Cl)c2)c1 ZINC000794724398 1034418233 /nfs/dbraw/zinc/41/82/33/1034418233.db2.gz QIDJMLFJIGWHLQ-HYXAFXHYSA-N -1 0 322.769 3.790 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2ccc(Cl)cc2F)c1 ZINC000777402366 1034450803 /nfs/dbraw/zinc/45/08/03/1034450803.db2.gz XVZCNSXLOBNPNH-CAOOACKPSA-N -1 0 308.696 3.712 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1Nc1ccc(Cl)cc1C#N ZINC001174676938 1034542782 /nfs/dbraw/zinc/54/27/82/1034542782.db2.gz DFTBNZYKMDESCX-UHFFFAOYSA-N -1 0 302.717 3.662 20 30 DHEDRM Cc1c(C(=O)/C=C\c2ccc(C)c(C(=O)[O-])c2)cnn1C(C)C ZINC000899367884 1034613891 /nfs/dbraw/zinc/61/38/91/1034613891.db2.gz CCCHBNZAXDBYAH-FPLPWBNLSA-N -1 0 312.369 3.675 20 30 DHEDRM O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1cnn(CC2CCC2)c1 ZINC000899427020 1034659835 /nfs/dbraw/zinc/65/98/35/1034659835.db2.gz XPRFYUGLTFMJGS-PLNGDYQASA-N -1 0 318.323 3.563 20 30 DHEDRM CC(C)=C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2cccs2)C1(C)C ZINC000042243496 1034770592 /nfs/dbraw/zinc/77/05/92/1034770592.db2.gz HHPOETFXISZALZ-PWSUYJOCSA-N -1 0 313.444 3.632 20 30 DHEDRM N#Cc1c([O-])csc1Nc1cccc(O[C@@H]2CCCCO2)c1 ZINC001175182229 1034859641 /nfs/dbraw/zinc/85/96/41/1034859641.db2.gz CHSHFEFWOVQMTO-OAHLLOKOSA-N -1 0 316.382 3.974 20 30 DHEDRM N#Cc1c([O-])csc1Nc1ccc(O)cc1C(F)(F)F ZINC001176339292 1035243608 /nfs/dbraw/zinc/24/36/08/1035243608.db2.gz TZSYZCQBFXKQIL-UHFFFAOYSA-N -1 0 300.261 3.793 20 30 DHEDRM N#Cc1cc(F)c(Nc2c(F)cc(F)c([O-])c2F)cc1F ZINC001176671576 1035310297 /nfs/dbraw/zinc/31/02/97/1035310297.db2.gz HWXBAGRWADJBJL-UHFFFAOYSA-N -1 0 300.186 3.703 20 30 DHEDRM N#Cc1ccc(Cl)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176679777 1035312768 /nfs/dbraw/zinc/31/27/68/1035312768.db2.gz MRVFXCMYRJXFIS-UHFFFAOYSA-N -1 0 317.688 3.562 20 30 DHEDRM Cc1ccc(C)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C#N ZINC001176679874 1035313138 /nfs/dbraw/zinc/31/31/38/1035313138.db2.gz RFNAKNGHEHCQGB-UHFFFAOYSA-N -1 0 311.297 3.525 20 30 DHEDRM N#Cc1cc(OC(F)(F)F)ccc1Nc1ccc(C(=O)[O-])cc1 ZINC001176713721 1035326501 /nfs/dbraw/zinc/32/65/01/1035326501.db2.gz MXPWKBNOFSOWHG-UHFFFAOYSA-N -1 0 322.242 3.899 20 30 DHEDRM N#Cc1cc(N)c(Nc2ccc(C(=O)[O-])cc2)cc1C(F)(F)F ZINC001176713294 1035326717 /nfs/dbraw/zinc/32/67/17/1035326717.db2.gz BNYJWAPOPYIRJX-UHFFFAOYSA-N -1 0 321.258 3.601 20 30 DHEDRM C=CCC1(C(=O)N=c2nc(-c3sccc3C)[n-]s2)CCC1 ZINC000484848096 1035412204 /nfs/dbraw/zinc/41/22/04/1035412204.db2.gz KXGRQBYTRODTAJ-UHFFFAOYSA-N -1 0 319.455 3.682 20 30 DHEDRM C=CCCC[C@H](NC(=O)Nc1ccccc1C(C)C)C(=O)[O-] ZINC000905015633 1035475506 /nfs/dbraw/zinc/47/55/06/1035475506.db2.gz LBMRSAZFNOTGPN-HNNXBMFYSA-N -1 0 304.390 3.741 20 30 DHEDRM Cc1[nH]c2c(cccc2NC(=O)c2cccc(C#N)c2[O-])c1C ZINC001193653075 1035694772 /nfs/dbraw/zinc/69/47/72/1035694772.db2.gz SZSZRNMIHPMLGH-UHFFFAOYSA-N -1 0 305.337 3.614 20 30 DHEDRM C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc(N(C)C)cc1 ZINC000773904250 1035842430 /nfs/dbraw/zinc/84/24/30/1035842430.db2.gz DKXUHLMPPRHXDH-SJWFJVLYSA-N -1 0 313.357 3.547 20 30 DHEDRM C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc(N(C)C)cc1 ZINC000773904249 1035842674 /nfs/dbraw/zinc/84/26/74/1035842674.db2.gz DKXUHLMPPRHXDH-OTWJJXBCSA-N -1 0 313.357 3.547 20 30 DHEDRM Cc1cc(C#N)c(NC(=O)c2ccc(C(F)(F)F)o2)s1 ZINC001194405225 1035922418 /nfs/dbraw/zinc/92/24/18/1035922418.db2.gz ODQISKLAEKOGFF-UHFFFAOYSA-N -1 0 300.261 3.792 20 30 DHEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)c(Cl)c1 ZINC000540570281 1036103035 /nfs/dbraw/zinc/10/30/35/1036103035.db2.gz RTVFXKUPNPGQOU-UHFFFAOYSA-N -1 0 320.801 3.629 20 30 DHEDRM Cc1oc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c(C#N)c1C ZINC001195119880 1036143292 /nfs/dbraw/zinc/14/32/92/1036143292.db2.gz CWWRFPRHDXHKKG-UHFFFAOYSA-N -1 0 318.398 3.692 20 30 DHEDRM Cc1nc2ccccc2c(C)c1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000774082976 1036154868 /nfs/dbraw/zinc/15/48/68/1036154868.db2.gz UNQJLJINEWIJGV-UHFFFAOYSA-N -1 0 317.348 3.681 20 30 DHEDRM C=CCN(Cc1ccccc1)C(=O)c1cccc(Cl)c1[O-] ZINC000775655311 1036238811 /nfs/dbraw/zinc/23/88/11/1036238811.db2.gz DEMIDFMMUXGIQC-UHFFFAOYSA-N -1 0 301.773 3.874 20 30 DHEDRM CCCCCCCC(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC000774219169 1036247976 /nfs/dbraw/zinc/24/79/76/1036247976.db2.gz WLDGARYOZZMREJ-UHFFFAOYSA-N -1 0 316.405 3.785 20 30 DHEDRM COc1c(C)ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1C ZINC000914701985 1036252845 /nfs/dbraw/zinc/25/28/45/1036252845.db2.gz URSSBRPPMNHJSO-UHFFFAOYSA-N -1 0 300.314 3.676 20 30 DHEDRM C=C(C)[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(F)c(F)c1 ZINC000774540813 1036443403 /nfs/dbraw/zinc/44/34/03/1036443403.db2.gz GXQSGQKGZQCAMP-JTQLQIEISA-N -1 0 311.225 3.599 20 30 DHEDRM N#Cc1c[nH]c2cc(NC(=O)Cc3ccc([S-])cc3)ccc12 ZINC001183188825 1036537045 /nfs/dbraw/zinc/53/70/45/1036537045.db2.gz LEYKCRWLHPBZPE-UHFFFAOYSA-N -1 0 307.378 3.509 20 30 DHEDRM N#CCc1cc(NC(=O)c2cc(Cl)c(F)cc2[O-])ccc1F ZINC001196467445 1036538538 /nfs/dbraw/zinc/53/85/38/1036538538.db2.gz QJDQPJOYEDBAFD-UHFFFAOYSA-N -1 0 322.698 3.642 20 30 DHEDRM N#CC(=C([O-])c1ccc2[nH]cnc2c1)c1nc2ccccc2s1 ZINC000915098690 1036632424 /nfs/dbraw/zinc/63/24/24/1036632424.db2.gz AGVBGWLCRAFXIU-LLVKDONJSA-N -1 0 318.361 3.663 20 30 DHEDRM C=CCOc1ccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000915106128 1036640663 /nfs/dbraw/zinc/64/06/63/1036640663.db2.gz KIWJGKHWDOXUHN-GHXNOFRVSA-N -1 0 322.360 3.775 20 30 DHEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2ccccc2Cl)cc1 ZINC000915106943 1036641588 /nfs/dbraw/zinc/64/15/88/1036641588.db2.gz XMBODRVUULMSQI-MDZDMXLPSA-N -1 0 300.741 3.863 20 30 DHEDRM N#Cc1ccc([O-])c(NC(=O)c2cnc(-c3ccccc3)s2)c1 ZINC000176403788 1036715024 /nfs/dbraw/zinc/71/50/24/1036715024.db2.gz PXIRHAJYXDRCNS-UHFFFAOYSA-N -1 0 321.361 3.640 20 30 DHEDRM C=CC(C)(C)CC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000910041283 1036761979 /nfs/dbraw/zinc/76/19/79/1036761979.db2.gz KSSKBGMDYFKLRT-UHFFFAOYSA-N -1 0 313.300 3.527 20 30 DHEDRM O=C(CCC(=O)N1CCC[C@H](Cc2ccccc2)C1)C1=CC=C[CH]1 ZINC001184243171 1036785152 /nfs/dbraw/zinc/78/51/52/1036785152.db2.gz DYURQAWIQHIUJE-GOSISDBHSA-N -1 0 322.428 3.517 20 30 DHEDRM Cc1ccnc2cc(NC(=O)CCC(=O)C3=CC=C[CH]3)ccc12 ZINC001184245413 1036785395 /nfs/dbraw/zinc/78/53/95/1036785395.db2.gz QCWWAEKWWCLNES-UHFFFAOYSA-N -1 0 305.357 3.532 20 30 DHEDRM CCC1(NC(=O)CCC(=O)C2=CC=C[CH]2)CCC(F)(F)CC1 ZINC001184247731 1036788204 /nfs/dbraw/zinc/78/82/04/1036788204.db2.gz XQMVFKSOMJMGDL-UHFFFAOYSA-N -1 0 310.364 3.510 20 30 DHEDRM C=CCC1(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)CCC1 ZINC000910705387 1036929655 /nfs/dbraw/zinc/92/96/55/1036929655.db2.gz GZXMYITZRGRAPQ-UHFFFAOYSA-N -1 0 308.403 3.650 20 30 DHEDRM Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2C#N)ccc1Cl ZINC001185529600 1037171055 /nfs/dbraw/zinc/17/10/55/1037171055.db2.gz IOWUAVQZMZIIMD-UHFFFAOYSA-N -1 0 320.801 3.629 20 30 DHEDRM Cc1ccc2c(c1)OCCCC2=NNc1cccc(C(=O)[O-])c1 ZINC000763104257 1037255735 /nfs/dbraw/zinc/25/57/35/1037255735.db2.gz BUEOAQSZYCXLKV-UHFFFAOYSA-N -1 0 310.353 3.682 20 30 DHEDRM Cc1ccc(S(=O)(=O)Nc2cccc(C3CC3)c2)cc1C#N ZINC001201322022 1037605260 /nfs/dbraw/zinc/60/52/60/1037605260.db2.gz BEFDKUXDZIZGQB-UHFFFAOYSA-N -1 0 312.394 3.545 20 30 DHEDRM COc1ccc(C=NNc2ccccc2C(=O)[O-])c2ccccc12 ZINC000915956015 1037613695 /nfs/dbraw/zinc/61/36/95/1037613695.db2.gz NHJNHKWQAQMNNK-UHFFFAOYSA-N -1 0 320.348 3.993 20 30 DHEDRM Cc1ccccc1C(=O)/C=C/c1ccc(OCCC(=O)[O-])cc1 ZINC000915984511 1037631992 /nfs/dbraw/zinc/63/19/92/1037631992.db2.gz MFNNIVAZLUAMDF-DHZHZOJOSA-N -1 0 310.349 3.745 20 30 DHEDRM COc1ccc(CCC(C)N=Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000916240723 1037713315 /nfs/dbraw/zinc/71/33/15/1037713315.db2.gz LLOMKZDVYQXCIQ-UHFFFAOYSA-N -1 0 312.369 3.814 20 30 DHEDRM COc1cccc2cc(C(C)=NNc3ccc(C(=O)[O-])cc3)oc21 ZINC000916240497 1037715550 /nfs/dbraw/zinc/71/55/50/1037715550.db2.gz DESDYBPDUVKUOZ-UHFFFAOYSA-N -1 0 324.336 3.976 20 30 DHEDRM COc1ccc2cc(C=NNc3cccc(C(=O)[O-])c3)ccc2c1 ZINC000916255134 1037716832 /nfs/dbraw/zinc/71/68/32/1037716832.db2.gz DBXZVPNINPLLHE-UHFFFAOYSA-N -1 0 320.348 3.993 20 30 DHEDRM COc1ccc(C(C)=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000916259522 1037717587 /nfs/dbraw/zinc/71/75/87/1037717587.db2.gz NCVQVCYCOUTZKV-UHFFFAOYSA-N -1 0 318.760 3.883 20 30 DHEDRM Cc1cc(C=NNc2cccc(C(=O)[O-])c2)c(C)n1CC(C)C ZINC000916255328 1037717920 /nfs/dbraw/zinc/71/79/20/1037717920.db2.gz RVPZECIUZTYAAH-UHFFFAOYSA-N -1 0 313.401 3.905 20 30 DHEDRM O=C([O-])c1cc(NN=C2CCc3ccccc32)ccc1Cl ZINC000916260139 1037722288 /nfs/dbraw/zinc/72/22/88/1037722288.db2.gz ZMVWDYPEPSULHK-UHFFFAOYSA-N -1 0 300.745 3.801 20 30 DHEDRM CSc1cccc(NC(=O)Nc2cc(C#N)c(F)cc2[O-])c1 ZINC001188051344 1037783697 /nfs/dbraw/zinc/78/36/97/1037783697.db2.gz ZLJKGNDYJRHYGW-UHFFFAOYSA-N -1 0 317.345 3.769 20 30 DHEDRM C=CCN(C)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000154198315 1037984215 /nfs/dbraw/zinc/98/42/15/1037984215.db2.gz OFYZDQFSUZGSQD-UHFFFAOYSA-N -1 0 301.773 3.971 20 30 DHEDRM CC(C)CCC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000916876830 1038021782 /nfs/dbraw/zinc/02/17/82/1038021782.db2.gz AEAFPNPMHGGXRQ-CYBMUJFWSA-N -1 0 303.427 3.955 20 30 DHEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc2ccccc2c1 ZINC000916894565 1038038940 /nfs/dbraw/zinc/03/89/40/1038038940.db2.gz XLDJAOQUCQGHSI-SFHVURJKSA-N -1 0 320.392 3.611 20 30 DHEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2C=CCC2)cc1 ZINC000045098490 1038282333 /nfs/dbraw/zinc/28/23/33/1038282333.db2.gz BLOIQOZEOIMLMV-CQSZACIVSA-N -1 0 307.415 3.641 20 30 DHEDRM CCc1noc(C)c1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000080451356 1038330684 /nfs/dbraw/zinc/33/06/84/1038330684.db2.gz ZJDDAMRLPXVKEW-SNVBAGLBSA-N -1 0 303.387 3.615 20 30 DHEDRM C=CCC1(S(=O)(=O)[N-]c2cc(C3CCCCC3)no2)CC1 ZINC001190766870 1038381534 /nfs/dbraw/zinc/38/15/34/1038381534.db2.gz ZDNPKAPGHJEZBP-UHFFFAOYSA-N -1 0 310.419 3.573 20 30 DHEDRM C=Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC001190971541 1038411544 /nfs/dbraw/zinc/41/15/44/1038411544.db2.gz OHEAISGFIXVMGT-UHFFFAOYSA-N -1 0 318.785 3.655 20 30 DHEDRM Cc1ccc(Cl)c(NC(=O)Nc2cc(C#N)ccc2[O-])c1 ZINC001191703324 1038530929 /nfs/dbraw/zinc/53/09/29/1038530929.db2.gz RWPDFBIBVQUGTQ-UHFFFAOYSA-N -1 0 301.733 3.870 20 30 DHEDRM COc1ccc(-c2ccc(CCCC(=O)[O-])s2)c(C#N)c1 ZINC000573105300 1038790050 /nfs/dbraw/zinc/79/00/50/1038790050.db2.gz ZSVGVDPQIDRTAQ-UHFFFAOYSA-N -1 0 301.367 3.703 20 30 DHEDRM CC(C)(C)c1[n-]n(C[C@@H]2CCC(F)(F)C2)c(=O)c1CCC#N ZINC000591366385 1038842494 /nfs/dbraw/zinc/84/24/94/1038842494.db2.gz RFBNUDWWPQWTKW-LLVKDONJSA-N -1 0 311.376 3.778 20 30 DHEDRM CC(=CC(=O)[N-]S(=O)(=O)C1CCCCC1)c1ccccc1 ZINC000058080729 1038922872 /nfs/dbraw/zinc/92/28/72/1038922872.db2.gz ZCXUKAPPIZWCQA-SEYXRHQNSA-N -1 0 307.415 3.709 20 30 DHEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(C(F)F)c1 ZINC000171566049 1039522455 /nfs/dbraw/zinc/52/24/55/1039522455.db2.gz QBPWUIGWHUFNTN-CQSZACIVSA-N -1 0 322.355 3.643 20 30 DHEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(C(F)F)c1 ZINC000171566046 1039523629 /nfs/dbraw/zinc/52/36/29/1039523629.db2.gz QBPWUIGWHUFNTN-AWEZNQCLSA-N -1 0 322.355 3.643 20 30 DHEDRM C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1cccc(C(F)(F)F)c1 ZINC000226597999 1039723636 /nfs/dbraw/zinc/72/36/36/1039723636.db2.gz SJIRJHRMLXJQHB-ZCFIWIBFSA-N -1 0 317.204 3.783 20 30 DHEDRM CCCOc1c(OC)cc(C(=O)[O-])cc1-c1ccsc1C#N ZINC000594874111 1039912886 /nfs/dbraw/zinc/91/28/86/1039912886.db2.gz QWQMDTOZTGHCIZ-UHFFFAOYSA-N -1 0 317.366 3.782 20 30 DHEDRM Cc1nn(C(C)C)cc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000574888937 1040056317 /nfs/dbraw/zinc/05/63/17/1040056317.db2.gz LWXCJLGBOXCGJT-LBPRGKRZSA-N -1 0 316.430 3.842 20 30 DHEDRM CC(=O)c1csc(C([O-])=C(C#N)c2ccc3ccccc3n2)c1 ZINC000607275190 1040130531 /nfs/dbraw/zinc/13/05/31/1040130531.db2.gz ZODNVUAKZHKRPM-CQSZACIVSA-N -1 0 320.373 3.989 20 30 DHEDRM C=CCOc1cccc(NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000060014544 1040328755 /nfs/dbraw/zinc/32/87/55/1040328755.db2.gz PNMHLOSEALMZCS-UHFFFAOYSA-N -1 0 303.745 3.863 20 30 DHEDRM N#CC1(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])CC2(CC2)C1 ZINC000601398162 1040620060 /nfs/dbraw/zinc/62/00/60/1040620060.db2.gz ASEBCROBVVAMKV-UHFFFAOYSA-N -1 0 311.168 3.721 20 30 DHEDRM C[C@@H](C#N)N(C(=O)c1cc(Cl)c2ccccc2c1[O-])C1CC1 ZINC000598134346 1041079181 /nfs/dbraw/zinc/07/91/81/1041079181.db2.gz WAAFKBNMGNFLFV-JTQLQIEISA-N -1 0 314.772 3.715 20 30 DHEDRM C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000417604585 335004157 /nfs/dbraw/zinc/00/41/57/335004157.db2.gz CDBSUSHPLRZBLG-LBPRGKRZSA-N -1 0 321.726 3.868 20 30 DHEDRM C=C[C@H](CCC(=O)[O-])[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000417604584 335004177 /nfs/dbraw/zinc/00/41/77/335004177.db2.gz CDBSUSHPLRZBLG-GFCCVEGCSA-N -1 0 321.726 3.868 20 30 DHEDRM CC[C@@H](Cc1ccc(NCc2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC000417609162 335007533 /nfs/dbraw/zinc/00/75/33/335007533.db2.gz KHCALTBMDGOCGS-KRWDZBQOSA-N -1 0 308.381 3.824 20 30 DHEDRM Cc1cc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)ccc1C#N ZINC000417615185 335008852 /nfs/dbraw/zinc/00/88/52/335008852.db2.gz WXNCVPKXRRDONF-AWEZNQCLSA-N -1 0 308.381 3.742 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2cc(C3CCCCC3)[nH]n2)n1 ZINC000136094368 335057500 /nfs/dbraw/zinc/05/75/00/335057500.db2.gz PGLQYVLGJKTKMB-GFCCVEGCSA-N -1 0 314.414 3.712 20 30 DHEDRM CCc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)sc1C ZINC000530708207 331620770 /nfs/dbraw/zinc/62/07/70/331620770.db2.gz CTGVJEUIJQBBEH-GFCCVEGCSA-N -1 0 324.409 3.689 20 30 DHEDRM Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C#N)cc1C ZINC000172589572 332231605 /nfs/dbraw/zinc/23/16/05/332231605.db2.gz VLBWBWJOXBXKDT-UHFFFAOYSA-N -1 0 320.801 3.629 20 30 DHEDRM C=CCOc1ccc(/C=C\c2cc(C(=O)[O-])ncn2)cc1Cl ZINC000536391351 332238449 /nfs/dbraw/zinc/23/84/49/332238449.db2.gz UUNVPRMBUODQKK-HYXAFXHYSA-N -1 0 316.744 3.563 20 30 DHEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)C1CCCCC1 ZINC000046708828 332300302 /nfs/dbraw/zinc/30/03/02/332300302.db2.gz KSNGEONSIWQHJB-UHFFFAOYSA-N -1 0 301.795 3.566 20 30 DHEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CC2CCCCC2)c(C)c1 ZINC000046930084 332300527 /nfs/dbraw/zinc/30/05/27/332300527.db2.gz QUTITCMFSUAEBE-UHFFFAOYSA-N -1 0 309.431 3.919 20 30 DHEDRM Cc1cc(C#N)cnc1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000560350965 332333728 /nfs/dbraw/zinc/33/37/28/332333728.db2.gz NESHKCWMQOYVNH-UHFFFAOYSA-N -1 0 322.151 3.526 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2nc3c(s2)CCC3)n1 ZINC000561267316 332431222 /nfs/dbraw/zinc/43/12/22/332431222.db2.gz MQKBECLQBJYQQM-VIFPVBQESA-N -1 0 317.439 3.702 20 30 DHEDRM CCN(CCC#N)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000133562390 332589979 /nfs/dbraw/zinc/58/99/79/332589979.db2.gz XBWFPJYIVMZPIX-UHFFFAOYSA-N -1 0 302.761 3.575 20 30 DHEDRM O=C(CC(F)(F)F)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000182759351 333180151 /nfs/dbraw/zinc/18/01/51/333180151.db2.gz WNIKPUBFKFFKOD-SECBINFHSA-N -1 0 321.167 3.637 20 30 DHEDRM C=CCCc1ccccc1NC(=O)NC(C)(C)CCC(=O)[O-] ZINC000417768170 335131583 /nfs/dbraw/zinc/13/15/83/335131583.db2.gz AEICSOWTNXZEDW-UHFFFAOYSA-N -1 0 304.390 3.570 20 30 DHEDRM CC(F)(F)CC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000277481018 334088521 /nfs/dbraw/zinc/08/85/21/334088521.db2.gz NQVDONSNMRNJLT-SNVBAGLBSA-N -1 0 317.204 3.730 20 30 DHEDRM N#Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ns2)cc1[O-] ZINC000443471754 338452602 /nfs/dbraw/zinc/45/26/02/338452602.db2.gz BJCZBXRQHNJWHE-UHFFFAOYSA-N -1 0 321.361 3.640 20 30 DHEDRM N#Cc1ccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1[O-] ZINC000188288944 334672616 /nfs/dbraw/zinc/67/26/16/334672616.db2.gz PQOIIFRUAVFAQB-UHFFFAOYSA-N -1 0 319.320 3.535 20 30 DHEDRM NC(=O)C1CCC(NC(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000331247345 334850686 /nfs/dbraw/zinc/85/06/86/334850686.db2.gz SWIHCWBPZMQQSB-UHFFFAOYSA-N -1 0 314.744 3.583 20 30 DHEDRM C=CC[C@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CCCC1(C)C ZINC000331308897 334852960 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Cc1cc(C(C)N=Nc2ccc(C(=O)[O-])c(Cl)c2)ccc1O ZINC000833386686 605156053 /nfs/dbraw/zinc/15/60/53/605156053.db2.gz SOKNXPQMWNBYNK-UHFFFAOYSA-N -1 0 318.760 3.888 20 30 DHEDRM C=CCOc1ccc(Oc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC000833377859 605186687 /nfs/dbraw/zinc/18/66/87/605186687.db2.gz PMDRMQAQUABLHH-UHFFFAOYSA-N -1 0 315.281 3.650 20 30 DHEDRM CCCCCCCNC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001589645393 949724953 /nfs/dbraw/zinc/72/49/53/949724953.db2.gz ZGEOOYVDKABKDW-HZPDHXFCSA-N -1 0 318.417 3.569 20 30 DHEDRM C=CC[C@@H]1N(C(=O)Cc2ccccc2C(=O)[O-])CCCC1(C)C ZINC000668321160 954567976 /nfs/dbraw/zinc/56/79/76/954567976.db2.gz NSRKOTHQQFMZKO-INIZCTEOSA-N -1 0 315.413 3.521 20 30 DHEDRM C[C@H](OC(=O)C1(C(=O)[O-])CCCCCC1)c1ccc(C#N)cc1 ZINC001589159681 956398750 /nfs/dbraw/zinc/39/87/50/956398750.db2.gz VOIZCNJCWPMVCU-ZDUSSCGKSA-N -1 0 315.369 3.588 20 30 DHEDRM C=CCCC1(CNC(=O)C2(C(=O)[O-])CCCCC2)CCCC1 ZINC001588457227 958446010 /nfs/dbraw/zinc/44/60/10/958446010.db2.gz QQTYWBRXLFMEKZ-UHFFFAOYSA-N -1 0 307.434 3.664 20 30 DHEDRM C=CCCC[C@@H](C(=O)N[C@H](CC(C)C)C(=O)[O-])c1ccccc1 ZINC001588457828 958455253 /nfs/dbraw/zinc/45/52/53/958455253.db2.gz FVWWZPQOMJXFKA-IAGOWNOFSA-N -1 0 317.429 3.742 20 30 DHEDRM C=CCN(CCc1ccccc1)C(=O)Nc1ccccc1C(=O)[O-] ZINC001588464243 958489838 /nfs/dbraw/zinc/48/98/38/958489838.db2.gz JQTWKJAODLWRRF-UHFFFAOYSA-N -1 0 324.380 3.647 20 30 DHEDRM C=CC[C@H]1N(C(=O)NC[C@H](CC(C)C)C(=O)[O-])CCCC1(C)C ZINC001573328113 958496104 /nfs/dbraw/zinc/49/61/04/958496104.db2.gz ATJMCSRVCJTQLT-LSDHHAIUSA-N -1 0 324.465 3.510 20 30 DHEDRM C=CC1(CC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)CCCCC1 ZINC001573329510 958509506 /nfs/dbraw/zinc/50/95/06/958509506.db2.gz HNRLVIGXWXSXII-MRXNPFEDSA-N -1 0 319.376 3.594 20 30 DHEDRM CC(C)Oc1ccc(C#N)cc1NCc1ccc(C(=O)[O-])s1 ZINC001588936103 962504148 /nfs/dbraw/zinc/50/41/48/962504148.db2.gz IRDSOXJZIOSSOE-UHFFFAOYSA-N -1 0 316.382 3.717 20 30 DHEDRM C#Cc1ccc(CNc2cc(C(=O)[O-])ccc2OC(C)C)cc1 ZINC001573313424 962729842 /nfs/dbraw/zinc/72/98/42/962729842.db2.gz HWLMIGVYAPZVGW-UHFFFAOYSA-N -1 0 309.365 3.765 20 30 DHEDRM C=C(C)C[C@@H](NC(=O)c1cccc(-c2cccc(C)c2)c1)C(=O)[O-] ZINC001573323801 962776299 /nfs/dbraw/zinc/77/62/99/962776299.db2.gz HYGIHURYAOUSKL-GOSISDBHSA-N -1 0 323.392 3.811 20 30 DHEDRM C=C(C)c1cccc(NC(=O)NCCc2ccc(C(=O)[O-])cc2)c1 ZINC001573325385 962795518 /nfs/dbraw/zinc/79/55/18/962795518.db2.gz IMFKWYCOHOTIAY-UHFFFAOYSA-N -1 0 324.380 3.782 20 30 DHEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001573328151 962809113 /nfs/dbraw/zinc/80/91/13/962809113.db2.gz BYECBTJSSSCBOP-WFASDCNBSA-N -1 0 302.374 3.641 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC001573331882 962818217 /nfs/dbraw/zinc/81/82/17/962818217.db2.gz CZONEDIIBUQFQJ-QGZVFWFLSA-N -1 0 315.413 3.895 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N1C[C@H](C(C)(C)C)c2ccccc21 ZINC001573332801 962841869 /nfs/dbraw/zinc/84/18/69/962841869.db2.gz SDKHWHCLFNIMFG-AWEZNQCLSA-N -1 0 301.386 3.584 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N1CCCc2cc(C(C)C)ccc21 ZINC001573333247 962855306 /nfs/dbraw/zinc/85/53/06/962855306.db2.gz ZEWGJONIRXUASK-UHFFFAOYSA-N -1 0 301.386 3.510 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(Cl)ccc1NC(C)C ZINC001573336531 962859727 /nfs/dbraw/zinc/85/97/27/962859727.db2.gz DEZHBUFHDLDYFL-UHFFFAOYSA-N -1 0 310.781 3.520 20 30 DHEDRM C=CCC1(C(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)CCCC1 ZINC001573353436 963002561 /nfs/dbraw/zinc/00/25/61/963002561.db2.gz VPTWQTJGVOSUCG-MRXNPFEDSA-N -1 0 321.461 3.910 20 30 DHEDRM C=CCCC[C@H](NC(=O)/C=C(/C)c1cccc(Cl)c1)C(=O)[O-] ZINC001573356462 963007691 /nfs/dbraw/zinc/00/76/91/963007691.db2.gz BUVNRCSZUGYJAL-WQTVUKCASA-N -1 0 321.804 3.669 20 30 DHEDRM C=CCCC[C@@H](NC(=O)c1ccccc1C(C)(C)C)C(=O)[O-] ZINC001573365432 963053648 /nfs/dbraw/zinc/05/36/48/963053648.db2.gz GIZIFMKQXAAOMB-OAHLLOKOSA-N -1 0 303.402 3.523 20 30 DHEDRM C=CCCC[C@H](NC(=O)c1coc2ccc(CC)cc12)C(=O)[O-] ZINC001573365397 963054209 /nfs/dbraw/zinc/05/42/09/963054209.db2.gz GCXRCHMFKIIJIH-HNNXBMFYSA-N -1 0 315.369 3.535 20 30 DHEDRM C=CCCC[C@@H](NC(=O)c1cc2ccc(F)cc2s1)C(=O)[O-] ZINC001573367596 963067762 /nfs/dbraw/zinc/06/77/62/963067762.db2.gz YAAOLTMUJXIPJW-GFCCVEGCSA-N -1 0 321.373 3.580 20 30 DHEDRM C#CCCCC(=O)Nc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC001588440488 964039001 /nfs/dbraw/zinc/03/90/01/964039001.db2.gz XCHZWLAJVATNNW-UHFFFAOYSA-N -1 0 313.378 3.855 20 30 DHEDRM C#CCCCCCC(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001588440722 964043698 /nfs/dbraw/zinc/04/36/98/964043698.db2.gz LQTGFOXBGAODRR-UHFFFAOYSA-N -1 0 313.397 3.638 20 30 DHEDRM CSc1nc(=NC(=O)N(C)[C@H](C)C2CCCCC2)s[n-]1 ZINC000330427046 1013816656 /nfs/dbraw/zinc/81/66/56/1013816656.db2.gz FTMWLAHXEPYEIF-SECBINFHSA-N -1 0 314.480 3.706 20 30 DHEDRM CC[C@H](CC#N)N=c1[n-]c(-c2cc(Cl)cc(Cl)c2)no1 ZINC000579994639 1013850374 /nfs/dbraw/zinc/85/03/74/1013850374.db2.gz DVIBFBFUYWWRKT-LLVKDONJSA-N -1 0 311.172 3.569 20 30 DHEDRM O=C(NC1(CCO)CCCCC1)c1cc(F)c([O-])c(Cl)c1 ZINC000331315800 1013873209 /nfs/dbraw/zinc/87/32/09/1013873209.db2.gz FGZJYCUVAXOBDO-UHFFFAOYSA-N -1 0 315.772 3.575 20 30 DHEDRM O=C1c2ccc(O)cc2CC/C1=C/c1cc(F)c([O-])c(F)c1 ZINC000255143935 1013923919 /nfs/dbraw/zinc/92/39/19/1013923919.db2.gz FJFUKHRQABWFAW-WZUFQYTHSA-N -1 0 302.276 3.589 20 30 DHEDRM Cc1cc(F)c(C#N)c(N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC001605178596 972887735 /nfs/dbraw/zinc/88/77/35/972887735.db2.gz APMJINRJXSKBFK-WCFLWFBJSA-N -1 0 304.365 3.553 20 30 DHEDRM N#Cc1cc(N)c(Nc2cc(Cl)c([O-])c(Cl)c2)cc1C#N ZINC001210929340 1014090756 /nfs/dbraw/zinc/09/07/56/1014090756.db2.gz XZAUPTJBBQAICV-UHFFFAOYSA-N -1 0 319.151 3.768 20 30 DHEDRM O=C(/C=C\c1c(Cl)nc2ccccn21)c1ccc([O-])c(F)c1 ZINC000255194681 1014087384 /nfs/dbraw/zinc/08/73/84/1014087384.db2.gz LEJNAURTFWHNNU-ALCCZGGFSA-N -1 0 316.719 3.729 20 30 DHEDRM N#Cc1cc(Nc2ccccc2C(=O)[O-])ccc1N1CCCC1 ZINC001210968890 1014098963 /nfs/dbraw/zinc/09/89/63/1014098963.db2.gz NADUBCHAFHKDPW-UHFFFAOYSA-N -1 0 307.353 3.600 20 30 DHEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000659166330 975765706 /nfs/dbraw/zinc/76/57/06/975765706.db2.gz KHOWPHJDXATARJ-NVXWUHKLSA-N -1 0 315.413 3.569 20 30 DHEDRM C=CCCC1(CNC(=O)c2cccc(CC(=O)[O-])c2)CCCC1 ZINC000659167334 975765941 /nfs/dbraw/zinc/76/59/41/975765941.db2.gz SDNDWHKRODFOGV-UHFFFAOYSA-N -1 0 315.413 3.570 20 30 DHEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1ccccc1C#N ZINC001591773188 975910757 /nfs/dbraw/zinc/91/07/57/975910757.db2.gz QWJZMOJRWIOPHJ-UHFFFAOYSA-N -1 0 310.353 3.656 20 30 DHEDRM O=C([O-])c1csc(/C=C2\CSc3c(F)cccc3C2=O)c1 ZINC000782199446 1014324419 /nfs/dbraw/zinc/32/44/19/1014324419.db2.gz DOWITXKHKDSNPN-XBXARRHUSA-N -1 0 320.366 3.957 20 30 DHEDRM CC(C)c1ccc(C=NOCc2nc(C(=O)[O-])cs2)cc1 ZINC001591953368 976518064 /nfs/dbraw/zinc/51/80/64/976518064.db2.gz ZLNXSJGBLCYGQK-UHFFFAOYSA-N -1 0 304.371 3.515 20 30 DHEDRM Cc1ccc(F)c(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000160630600 1014338003 /nfs/dbraw/zinc/33/80/03/1014338003.db2.gz HUQKKNBNKPXUPR-QPJJXVBHSA-N -1 0 301.273 3.644 20 30 DHEDRM CC(/C=C/C(=O)c1ccc(OCC(=O)[O-])cc1)=C/c1ccccc1 ZINC001592210225 977253199 /nfs/dbraw/zinc/25/31/99/977253199.db2.gz BRGXSLUNIMRQIA-HMHGSNSKSA-N -1 0 322.360 3.992 20 30 DHEDRM CC(/C=C\C(=O)c1ccc(OCC(=O)[O-])cc1)=C/c1ccccc1 ZINC001592210228 977253516 /nfs/dbraw/zinc/25/35/16/977253516.db2.gz BRGXSLUNIMRQIA-LAKAAKMVSA-N -1 0 322.360 3.992 20 30 DHEDRM C[C@H](CC#N)OC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001592225714 977413026 /nfs/dbraw/zinc/41/30/26/977413026.db2.gz KYPMYNWMODFZTR-GFCCVEGCSA-N -1 0 309.321 3.511 20 30 DHEDRM C[C@@H](CC(=O)[O-])SCc1ccc(C#N)cc1C(F)(F)F ZINC001592422612 978037890 /nfs/dbraw/zinc/03/78/90/978037890.db2.gz SYOAVRQDNQHCSG-QMMMGPOBSA-N -1 0 303.305 3.673 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1NN=C(C)c1cc(F)ccc1F ZINC000756905885 978702024 /nfs/dbraw/zinc/70/20/24/978702024.db2.gz OPPBXQMLYNWEBR-UHFFFAOYSA-N -1 0 320.295 3.508 20 30 DHEDRM O=C([O-])c1cccc(/C=C2\COc3ccc(Cl)cc3C2=O)c1 ZINC000774131846 978746382 /nfs/dbraw/zinc/74/63/82/978746382.db2.gz VXEIBAATXPWWNA-KPKJPENVSA-N -1 0 314.724 3.697 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1sccc1Cl ZINC000782252482 978792641 /nfs/dbraw/zinc/79/26/41/978792641.db2.gz AKISRBSQSAOTNK-UHFFFAOYSA-N -1 0 310.762 3.554 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1N=NC(C)CCC(F)(F)F ZINC000783862714 978793884 /nfs/dbraw/zinc/79/38/84/978793884.db2.gz MPPHJZHCKVBLPD-UHFFFAOYSA-N -1 0 304.268 3.524 20 30 DHEDRM N#Cc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000788361013 978796879 /nfs/dbraw/zinc/79/68/79/978796879.db2.gz RSPKLVCPGWEIDN-XBXARRHUSA-N -1 0 311.724 3.806 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1N=NC[C@H]1CC(C)=C[C@@H](C)C1 ZINC000789637825 978798187 /nfs/dbraw/zinc/79/81/87/978798187.db2.gz UOFYCMIJNOWHGZ-DGCLKSJQSA-N -1 0 302.374 3.784 20 30 DHEDRM C=CCCCS(=O)(=O)[N-]c1nc2ccc(Cl)cc2s1 ZINC000427790956 1014526970 /nfs/dbraw/zinc/52/69/70/1014526970.db2.gz BWDAZXMHHQRVRC-UHFFFAOYSA-N -1 0 316.835 3.658 20 30 DHEDRM C[C@H]1C(N=Nc2ccccc2C(F)(F)F)CC[C@@H]1CC(=O)[O-] ZINC000814688627 978872496 /nfs/dbraw/zinc/87/24/96/978872496.db2.gz GNSKSSCVZREYAN-NXEZZACHSA-N -1 0 314.307 3.994 20 30 DHEDRM CC(C)(C#N)[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])c(F)c1 ZINC000835009712 979244037 /nfs/dbraw/zinc/24/40/37/979244037.db2.gz YYHGORRUEHENIK-GFCCVEGCSA-N -1 0 303.337 3.642 20 30 DHEDRM O=C([O-])c1ccc(N=NC[C@H]2CCC[C@H](C(F)(F)F)C2)nc1 ZINC000853325581 979606091 /nfs/dbraw/zinc/60/60/91/979606091.db2.gz JBMPAWVDGLQOMN-ONGXEEELSA-N -1 0 315.295 3.546 20 30 DHEDRM C[C@@H](Cc1ccc(NCc2cccc(C#N)c2F)cc1)C(=O)[O-] ZINC001592877382 979744909 /nfs/dbraw/zinc/74/49/09/979744909.db2.gz LCZKCQJPCTZNSZ-LBPRGKRZSA-N -1 0 312.344 3.573 20 30 DHEDRM N#CC(=C([O-])c1ncccc1Oc1ccccc1)c1ccccn1 ZINC000442081499 1014626260 /nfs/dbraw/zinc/62/62/60/1014626260.db2.gz CLBKMFJLLLDKLV-OAHLLOKOSA-N -1 0 315.332 3.759 20 30 DHEDRM Cc1csc([C@@H](C#N)C(=O)c2ccc(OC3CCC3)cc2)n1 ZINC000442601050 1014703326 /nfs/dbraw/zinc/70/33/26/1014703326.db2.gz SJANNNJFGLLPHU-HNNXBMFYSA-N -1 0 312.394 3.873 20 30 DHEDRM C=C[C@@H](CC)CC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000907719502 981210854 /nfs/dbraw/zinc/21/08/54/981210854.db2.gz PZKLZJOFSMJUNU-VIFPVBQESA-N -1 0 313.300 3.527 20 30 DHEDRM CCCC(C#N)(CCC)NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001595532927 981373888 /nfs/dbraw/zinc/37/38/88/981373888.db2.gz PKPGWIOLZBRKNR-UHFFFAOYSA-N -1 0 322.792 3.631 20 30 DHEDRM N#CC(=C([O-])c1csc(-c2ccc(F)cc2)n1)c1ccccn1 ZINC000126493769 1014737727 /nfs/dbraw/zinc/73/77/27/1014737727.db2.gz YDLMJUALVJODKN-ZDUSSCGKSA-N -1 0 323.352 3.834 20 30 DHEDRM CCCC[C@@H](SCCCOc1cccc(C#N)c1)C(=O)[O-] ZINC001595654984 982042499 /nfs/dbraw/zinc/04/24/99/982042499.db2.gz GWUNWLUIRLFWPZ-OAHLLOKOSA-N -1 0 307.415 3.704 20 30 DHEDRM CCCCCCCCOc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001595704313 982273375 /nfs/dbraw/zinc/27/33/75/982273375.db2.gz DXNUUXAKLCQGPC-UHFFFAOYSA-N -1 0 308.374 3.911 20 30 DHEDRM CCCCCCCCCN(C)C(=O)c1cccc(C(=O)[O-])n1 ZINC001595704608 982277194 /nfs/dbraw/zinc/27/71/94/982277194.db2.gz CUMUNPTZPSGZEB-UHFFFAOYSA-N -1 0 306.406 3.602 20 30 DHEDRM CCCCCCCC[C@H](C)C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-] ZINC001595704558 982277296 /nfs/dbraw/zinc/27/72/96/982277296.db2.gz AEXUFBQRXFXHCQ-STQMWFEESA-N -1 0 319.392 3.694 20 30 DHEDRM CCCCCCC[C@@H](C)CNC(=O)c1csc(C(=O)[O-])n1 ZINC001595704662 982277765 /nfs/dbraw/zinc/27/77/65/982277765.db2.gz GGCZMMRQQPBVQJ-LLVKDONJSA-N -1 0 312.435 3.568 20 30 DHEDRM CCCCCCCC(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC001595704865 982280992 /nfs/dbraw/zinc/28/09/92/982280992.db2.gz KMHHPZLUGXNXJE-NSHDSACASA-N -1 0 324.446 3.632 20 30 DHEDRM CCCCCCCC[C@@H](C)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001595705172 982282431 /nfs/dbraw/zinc/28/24/31/982282431.db2.gz QRYXUUZQZZDHTD-OWCLPIDISA-N -1 0 311.466 3.942 20 30 DHEDRM CCCCCCCC[C@H](C)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001595705258 982283381 /nfs/dbraw/zinc/28/33/81/982283381.db2.gz TUCXQQMPVIZHQM-MPGHIAIKSA-N -1 0 311.466 3.942 20 30 DHEDRM 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1020979649 /nfs/dbraw/zinc/97/96/49/1020979649.db2.gz TTWSESNCLVZVSA-OAHLLOKOSA-N -1 0 304.390 3.624 20 30 DHEDRM CCCCCc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)n[nH]1 ZINC000659010718 1021108277 /nfs/dbraw/zinc/10/82/77/1021108277.db2.gz XXGDBGOCSLYJMO-ZDUSSCGKSA-N -1 0 321.384 3.509 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2sccc2OC(F)F)n1 ZINC000105754015 1021169998 /nfs/dbraw/zinc/16/99/98/1021169998.db2.gz MJCRNJJKAWSIOH-ZETCQYMHSA-N -1 0 314.338 3.605 20 30 DHEDRM COc1ccc(-c2csc(C(C#N)=C([O-])C=CC3CC3)n2)cc1 ZINC000744061429 1021419552 /nfs/dbraw/zinc/41/95/52/1021419552.db2.gz KVXMCDXIEJQHDC-KHSJVXASSA-N -1 0 324.405 3.961 20 30 DHEDRM C=CCOc1ccccc1/C=C/C(=O)c1ccc(C(=O)[O-])s1 ZINC000007333370 1021455946 /nfs/dbraw/zinc/45/59/46/1021455946.db2.gz VZNPHJXUUYEYFK-BQYQJAHWSA-N -1 0 314.362 3.907 20 30 DHEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2cccc(Cl)c2)cc1 ZINC000070029210 1021487236 /nfs/dbraw/zinc/48/72/36/1021487236.db2.gz UJSSWYCSVKYNNY-UHFFFAOYSA-N -1 0 323.801 3.536 20 30 DHEDRM CC(C)c1cccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1 ZINC000850757447 1021642263 /nfs/dbraw/zinc/64/22/63/1021642263.db2.gz KNYOTGAYYIONCM-KRWDZBQOSA-N -1 0 312.413 3.581 20 30 DHEDRM C[C@H](Oc1cccc(/C=C\C(=O)c2ccc(F)cc2)c1)C(=O)[O-] ZINC000208114050 1021713413 /nfs/dbraw/zinc/71/34/13/1021713413.db2.gz GIYYCPNXTXJEIN-JSJZCHLLSA-N -1 0 314.312 3.574 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1CC[C@H](C)C1 ZINC000776507084 1021718819 /nfs/dbraw/zinc/71/88/19/1021718819.db2.gz MULJQASALMYBBP-NJZAAPMLSA-N -1 0 308.381 3.804 20 30 DHEDRM CC1(C)CC[C@H]1C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000851109730 1021741881 /nfs/dbraw/zinc/74/18/81/1021741881.db2.gz LVQBPNYWODUYHN-STQMWFEESA-N -1 0 315.438 3.955 20 30 DHEDRM CC(C)[C@H](NC(=O)c1cc(O)cc(C#N)c1)c1ccc(F)cc1 ZINC000619732528 1021864397 /nfs/dbraw/zinc/86/43/97/1021864397.db2.gz IBXMZKDSFQYRPH-KRWDZBQOSA-N -1 0 312.344 3.530 20 30 DHEDRM O=C([O-])c1cccc(C=NNC2CCC(F)(F)CC2)c1Cl ZINC000901341107 1021908882 /nfs/dbraw/zinc/90/88/82/1021908882.db2.gz WKGLJCYNIYCWPL-UHFFFAOYSA-N -1 0 316.735 3.540 20 30 DHEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)ccn1C ZINC000194890189 1022036341 /nfs/dbraw/zinc/03/63/41/1022036341.db2.gz BHTVLPYBOCTKBU-OAHLLOKOSA-N -1 0 321.405 3.947 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCc3cc(F)ccc32)c1 ZINC000920177918 1022077266 /nfs/dbraw/zinc/07/72/66/1022077266.db2.gz MHWPVQCLSGVWDJ-QANDDYDISA-N -1 0 300.289 3.546 20 30 DHEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000746444389 1022099411 /nfs/dbraw/zinc/09/94/11/1022099411.db2.gz ZCVXTWHGUDQAHD-UHFFFAOYSA-N -1 0 303.468 3.516 20 30 DHEDRM Cc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)ccc1C#N ZINC000766432308 1022114222 /nfs/dbraw/zinc/11/42/22/1022114222.db2.gz WFBZEGSIXLJHQF-UHFFFAOYSA-N -1 0 313.744 3.664 20 30 DHEDRM Cc1nc(C)c(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)o1 ZINC000183502478 1022160677 /nfs/dbraw/zinc/16/06/77/1022160677.db2.gz PLSGWUBRFTXOKJ-CYBMUJFWSA-N -1 0 323.377 3.905 20 30 DHEDRM Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)o1 ZINC000041559699 1022173632 /nfs/dbraw/zinc/17/36/32/1022173632.db2.gz SOIYBOSBJJCRKO-JTQLQIEISA-N -1 0 315.279 3.823 20 30 DHEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\CCc2ccc(F)cc2)c1[O-] ZINC000920942844 1022191771 /nfs/dbraw/zinc/19/17/71/1022191771.db2.gz HECOOFNPYCOSKZ-NVMNQCDNSA-N -1 0 322.723 3.755 20 30 DHEDRM CC1(C)OCC[C@@H]1C/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000852997874 1022192461 /nfs/dbraw/zinc/19/24/61/1022192461.db2.gz DFWGHTROEYCYKQ-LZUJDIRXSA-N -1 0 302.201 3.933 20 30 DHEDRM CC[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc(OC)cc1 ZINC000920947629 1022194176 /nfs/dbraw/zinc/19/41/76/1022194176.db2.gz OMKBGIVGLBXEQM-GYXHFJGISA-N -1 0 314.341 3.879 20 30 DHEDRM O=C([O-])c1cccc(NN=C2CCc3c2cccc3Cl)c1 ZINC000921254215 1022234369 /nfs/dbraw/zinc/23/43/69/1022234369.db2.gz ULVMAQJHGIRFLJ-UHFFFAOYSA-N -1 0 300.745 3.801 20 30 DHEDRM O=C([O-])c1cc(NN=C2CCc3c2cccc3F)ccc1Cl ZINC000921252533 1022234581 /nfs/dbraw/zinc/23/45/81/1022234581.db2.gz FITXQBHQKAKDGL-UHFFFAOYSA-N -1 0 318.735 3.940 20 30 DHEDRM O=C([O-])c1ccc(N=NC2CCC[C@@H]2Cc2ccccn2)cc1 ZINC000853252276 1022245087 /nfs/dbraw/zinc/24/50/87/1022245087.db2.gz LBKQHTZCUISECY-CQSZACIVSA-N -1 0 309.369 3.591 20 30 DHEDRM Cc1c(N=NC[C@@H]2CCN(c3ccccc3)C2)cccc1C(=O)[O-] ZINC000853370140 1022263933 /nfs/dbraw/zinc/26/39/33/1022263933.db2.gz DUMLXBJQVLFGMG-HNNXBMFYSA-N -1 0 323.396 3.617 20 30 DHEDRM CCC(F)(F)C(=O)[N-]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000854470194 1022476640 /nfs/dbraw/zinc/47/66/40/1022476640.db2.gz YGGFTUKXHAOUPO-UHFFFAOYSA-N -1 0 317.204 3.645 20 30 DHEDRM CN(C(=O)c1ccc(C#N)c([O-])c1)c1cccc2ccccc21 ZINC000615468818 1022493556 /nfs/dbraw/zinc/49/35/56/1022493556.db2.gz ZFTPKCVOTXNXCL-UHFFFAOYSA-N -1 0 302.333 3.694 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2ncoc2-c2ccccc2)n1 ZINC000112148637 1022530429 /nfs/dbraw/zinc/53/04/29/1022530429.db2.gz DNYOJNQICHPFGO-GFCCVEGCSA-N -1 0 309.350 3.597 20 30 DHEDRM CC(=NNc1ccc(F)cc1C)c1ccc(C(=O)[O-])c(F)c1 ZINC000776776323 1022569577 /nfs/dbraw/zinc/56/95/77/1022569577.db2.gz JTURTNMQEVKZBG-UHFFFAOYSA-N -1 0 304.296 3.808 20 30 DHEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1Cl ZINC000180004604 1022602409 /nfs/dbraw/zinc/60/24/09/1022602409.db2.gz AOPQGTTVSPHSHB-UHFFFAOYSA-N -1 0 320.801 3.629 20 30 DHEDRM Cc1cn2c(/C=C3/Cc4cc(O)ccc4C3=O)c(C)nc2s1 ZINC000187224211 1022644572 /nfs/dbraw/zinc/64/45/72/1022644572.db2.gz MYTDCDUFXIIHOO-GHXNOFRVSA-N -1 0 310.378 3.541 20 30 DHEDRM C=CCC(CC=C)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000238069481 1022675577 /nfs/dbraw/zinc/67/55/77/1022675577.db2.gz XQNZVYULPXHRDY-UHFFFAOYSA-N -1 0 319.426 3.711 20 30 DHEDRM COC(=O)CCCC[C@H](C)C(C)N=Nc1ccc(C(=O)[O-])cc1 ZINC000767734868 1022792841 /nfs/dbraw/zinc/79/28/41/1022792841.db2.gz PAPYTJRIUVSGTJ-LBPRGKRZSA-N -1 0 320.389 3.542 20 30 DHEDRM CCCc1nc(C)c(C([O-])=C(C#N)c2ccc3ccccc3n2)o1 ZINC000644786630 1022909673 /nfs/dbraw/zinc/90/96/73/1022909673.db2.gz FJRWHTJHUPMBET-AWEZNQCLSA-N -1 0 319.364 3.974 20 30 DHEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(-c3ccco3)s2)c1 ZINC000768185326 1022918418 /nfs/dbraw/zinc/91/84/18/1022918418.db2.gz PESYMIJYARISRR-UHFFFAOYSA-N -1 0 310.334 3.838 20 30 DHEDRM O=C(C=Cc1csc(-c2ccccn2)n1)c1sccc1[O-] ZINC000184517810 1022956038 /nfs/dbraw/zinc/95/60/38/1022956038.db2.gz JUYNVEDWIUMQRZ-SNAWJCMRSA-N -1 0 314.391 3.868 20 30 DHEDRM COc1cc(/C=C/C(=O)c2ccc([O-])c(Cl)c2)cc(OC)c1 ZINC000768757754 1023022452 /nfs/dbraw/zinc/02/24/52/1023022452.db2.gz QNYZVECQBRGSRG-HWKANZROSA-N -1 0 318.756 3.959 20 30 DHEDRM O=C([O-])c1cccc(N=NC(Cc2ccccc2)C(F)F)c1 ZINC000769566053 1023180368 /nfs/dbraw/zinc/18/03/68/1023180368.db2.gz CCZMCLUKPVURMO-UHFFFAOYSA-N -1 0 304.296 3.661 20 30 DHEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(C2CCCCC2)cc1 ZINC000124543713 1023343286 /nfs/dbraw/zinc/34/32/86/1023343286.db2.gz UOTXPZKQGSRBKD-SFHVURJKSA-N -1 0 324.424 3.679 20 30 DHEDRM Cn1cc(/C=C\C(=O)c2cc(F)ccc2[O-])c(-c2ccccc2)n1 ZINC000771526188 1023448605 /nfs/dbraw/zinc/44/86/05/1023448605.db2.gz VAUXWDAVWFDZHU-CLFYSBASSA-N -1 0 322.339 3.828 20 30 DHEDRM COc1cc2c(c(C=CC(=O)c3sccc3[O-])c1)O[C@@H](C)C2 ZINC000787479838 1023799121 /nfs/dbraw/zinc/79/91/21/1023799121.db2.gz LPQWDYPDZGKDLC-FSIBCCDJSA-N -1 0 316.378 3.682 20 30 DHEDRM CCCCCCCS(=O)(=O)[N-][C@@H]([C@H](C)CC)C(F)(F)F ZINC001211677798 1023817981 /nfs/dbraw/zinc/81/79/81/1023817981.db2.gz RKFRQSWDBGALFA-NEPJUHHUSA-N -1 0 317.417 3.853 20 30 DHEDRM C=C1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000652410327 1023851670 /nfs/dbraw/zinc/85/16/70/1023851670.db2.gz ZSHTXRKQLFSORW-CYBMUJFWSA-N -1 0 300.185 3.771 20 30 DHEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(C#N)cc1Cl ZINC000788409586 1023884276 /nfs/dbraw/zinc/88/42/76/1023884276.db2.gz VIAISICWYRHBCA-UHFFFAOYSA-N -1 0 313.744 3.746 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@H]2CCC3(CCCCC3)O2)c1 ZINC000790100530 1024224659 /nfs/dbraw/zinc/22/46/59/1024224659.db2.gz WNFPZHNFRCNGFK-JQFNYASXSA-N -1 0 318.373 3.601 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])C=Cc2cncc(F)c2)n1 ZINC000131183715 1024277105 /nfs/dbraw/zinc/27/71/05/1024277105.db2.gz RTGMFBZAOQMRGZ-ITDFMYJTSA-N -1 0 315.373 3.690 20 30 DHEDRM C=CCC1(C(=O)NOCc2ccc(C(F)(F)F)cc2)CCC1 ZINC000790806546 1024369670 /nfs/dbraw/zinc/36/96/70/1024369670.db2.gz HMLVRAMYIFJRMY-UHFFFAOYSA-N -1 0 313.319 4.000 20 30 DHEDRM CC(C)c1ncsc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000453588435 1024545388 /nfs/dbraw/zinc/54/53/88/1024545388.db2.gz LOHAPWJTVZESNA-LLVKDONJSA-N -1 0 324.409 3.643 20 30 DHEDRM COc1cc(C)ccc1C(=O)/C=C\c1cc([O-])ccc1[N+](=O)[O-] ZINC000772797202 1024673498 /nfs/dbraw/zinc/67/34/98/1024673498.db2.gz LWZGEAGFLADUCU-YWEYNIOJSA-N -1 0 313.309 3.514 20 30 DHEDRM CC[C@@H](C)n1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1C ZINC000350915682 1024864392 /nfs/dbraw/zinc/86/43/92/1024864392.db2.gz AXIASOFLPQTGBO-YPMHNXCESA-N -1 0 321.384 3.529 20 30 DHEDRM CCCCc1oc2ccccc2c1C=NN[C@@H](CC)C(=O)[O-] ZINC000793054792 1024869930 /nfs/dbraw/zinc/86/99/30/1024869930.db2.gz HHYNESRFPBWEII-AWEZNQCLSA-N -1 0 302.374 3.562 20 30 DHEDRM CC[C@@H](NN=Cc1ccc(-c2ccc(Cl)cc2)s1)C(=O)[O-] ZINC000793072496 1024877917 /nfs/dbraw/zinc/87/79/17/1024877917.db2.gz SWDCPICYZNXOFK-CYBMUJFWSA-N -1 0 322.817 3.855 20 30 DHEDRM Cc1cc(C)c(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c(=O)[nH]1 ZINC000354221256 1025385201 /nfs/dbraw/zinc/38/52/01/1025385201.db2.gz SEBCYTNCAWNJSN-LLVKDONJSA-N -1 0 323.377 3.504 20 30 DHEDRM CCOc1ccccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000041545743 1025411603 /nfs/dbraw/zinc/41/16/03/1025411603.db2.gz PRHGGZPXFONDHE-ZDUSSCGKSA-N -1 0 306.321 3.717 20 30 DHEDRM Cc1c(C([O-])=C(C#N)c2ccncn2)oc2c1c(C)ccc2C ZINC000354479900 1025441374 /nfs/dbraw/zinc/44/13/74/1025441374.db2.gz WPGMYGUSZNSZFC-ZDUSSCGKSA-N -1 0 305.337 3.638 20 30 DHEDRM Cc1cc(O)cc2c1C(=O)/C(=C/c1cccc(-n3cccn3)c1)O2 ZINC000760264396 1025498387 /nfs/dbraw/zinc/49/83/87/1025498387.db2.gz RUSYFUZIULFGIK-YVLHZVERSA-N -1 0 318.332 3.503 20 30 DHEDRM CC(C)c1scnc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000355066213 1025597487 /nfs/dbraw/zinc/59/74/87/1025597487.db2.gz WRAAVARHLMRCIG-SNVBAGLBSA-N -1 0 311.366 3.898 20 30 DHEDRM C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000073766703 1025792258 /nfs/dbraw/zinc/79/22/58/1025792258.db2.gz XNEUZFSKIYEHES-MGPLVRAMSA-N -1 0 315.398 3.693 20 30 DHEDRM C=CCOc1ccccc1/C=C1\Cc2c(ccc([O-])c2F)C1=O ZINC000806575285 1025931611 /nfs/dbraw/zinc/93/16/11/1025931611.db2.gz WPVRDFWCTDXTTL-JLHYYAGUSA-N -1 0 310.324 3.919 20 30 DHEDRM Oc1ccc(CN(CCC(F)(F)F)CC(F)(F)F)cc1F ZINC000894124998 1026065495 /nfs/dbraw/zinc/06/54/95/1026065495.db2.gz RESLUFRFEOSWAC-UHFFFAOYSA-N -1 0 319.220 3.848 20 30 DHEDRM C=C(C)C[C@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807838173 1026131339 /nfs/dbraw/zinc/13/13/39/1026131339.db2.gz KDMHGSKEKOGCGF-VIFPVBQESA-N -1 0 302.201 3.918 20 30 DHEDRM O=C([O-])c1cc(/C=C2\Cc3cc(Cl)ccc3C2=O)ccc1O ZINC000809153863 1026467216 /nfs/dbraw/zinc/46/72/16/1026467216.db2.gz HHLUPOWAUTWANP-VZUCSPMQSA-N -1 0 314.724 3.566 20 30 DHEDRM C#Cc1ccccc1CC(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000810834007 1026863057 /nfs/dbraw/zinc/86/30/57/1026863057.db2.gz JEAAFFOEQRBWFA-UHFFFAOYSA-N -1 0 320.175 3.862 20 30 DHEDRM C=CCCCCCCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000811589854 1027036175 /nfs/dbraw/zinc/03/61/75/1027036175.db2.gz JDKLIVLDURMISQ-UHFFFAOYSA-N -1 0 306.362 3.557 20 30 DHEDRM O=C([O-])c1ccc(NN=Cc2cc(O)cc(C(F)(F)F)c2)cc1 ZINC000811628920 1027040018 /nfs/dbraw/zinc/04/00/18/1027040018.db2.gz NYTIALHWSNHWMU-UHFFFAOYSA-N -1 0 324.258 3.555 20 30 DHEDRM CC(=NOC/C=C\Cl)c1cc(Br)c(F)cc1[O-] ZINC000811668714 1027058558 /nfs/dbraw/zinc/05/85/58/1027058558.db2.gz JIELEKCUSFWFJW-HXPSRMRWSA-N -1 0 322.561 3.787 20 30 DHEDRM O=C([O-])c1ccc(/C=C\C(=O)c2nccc3ccccc32)cc1 ZINC000811699854 1027071873 /nfs/dbraw/zinc/07/18/73/1027071873.db2.gz XZZKSTYOUFWHNE-YFHOEESVSA-N -1 0 303.317 3.829 20 30 DHEDRM O=C(/C=C/c1cc([N+](=O)[O-])ccc1Cl)c1cc(O)ccc1[O-] ZINC000156655411 1027140324 /nfs/dbraw/zinc/14/03/24/1027140324.db2.gz CSWKFEDCTFIFSV-ORCRQEGFSA-N -1 0 319.700 3.556 20 30 DHEDRM 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CS[C@H](C)CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000156223208 1029413746 /nfs/dbraw/zinc/41/37/46/1029413746.db2.gz OHAQTTJZXCFMEV-MFKMUULPSA-N -1 0 314.410 3.510 20 30 DHEDRM C[C@@H]1C(N=Nc2cc(Cl)nc(Cl)c2)CC[C@H]1CC(=O)[O-] ZINC000819828398 1029619244 /nfs/dbraw/zinc/61/92/44/1029619244.db2.gz BLHHEBLFSGWWQN-YUMQZZPRSA-N -1 0 316.188 3.677 20 30 DHEDRM O=C([O-])c1ccccc1N=NC=CCc1ccc(F)c(F)c1 ZINC000794887084 1030101997 /nfs/dbraw/zinc/10/19/97/1030101997.db2.gz FPUMZRREXOJZNN-TWUMCCCFSA-N -1 0 302.280 3.774 20 30 DHEDRM C#CC[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000823506356 1030311372 /nfs/dbraw/zinc/31/13/72/1030311372.db2.gz NPDTYYIRSRQYRF-JTQLQIEISA-N -1 0 312.196 3.575 20 30 DHEDRM COc1cccc(C(=O)/C=C\c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000794928069 1030391659 /nfs/dbraw/zinc/39/16/59/1030391659.db2.gz VEKTWFJCXMOZAI-FPLPWBNLSA-N -1 0 310.349 3.906 20 30 DHEDRM COc1ccc2c(c1)C(=O)/C(=C\c1cc(C(=O)[O-])c(C)cc1C)C2 ZINC000794940898 1030425299 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C=CCN(CC1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185989205 333372071 /nfs/dbraw/zinc/37/20/71/333372071.db2.gz BRTFXOPPMQLGHE-UHFFFAOYSA-N -1 0 318.373 3.509 20 30 DHEDRM C=CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000187267518 333427972 /nfs/dbraw/zinc/42/79/72/333427972.db2.gz HYVUOUIJPFEBGI-CQSZACIVSA-N -1 0 312.325 3.599 20 30 DHEDRM C=CCc1cccc(C(C)C)c1NC(=O)N(C)CCCC(=O)[O-] ZINC000417778906 335144361 /nfs/dbraw/zinc/14/43/61/335144361.db2.gz VHKUCRBQUZHKRW-UHFFFAOYSA-N -1 0 318.417 3.867 20 30 DHEDRM Cc1nn(C(C)C)cc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000571224129 333685030 /nfs/dbraw/zinc/68/50/30/333685030.db2.gz RJKMJVYAHXWSPJ-LBPRGKRZSA-N -1 0 324.409 3.872 20 30 DHEDRM COc1ccsc1/C=C1\CCc2oc(C(=O)[O-])c(C)c2C1=O ZINC000268756491 333993407 /nfs/dbraw/zinc/99/34/07/333993407.db2.gz XWLOILPZBVSHIE-VQHVLOKHSA-N -1 0 318.350 3.569 20 30 DHEDRM CCCC[C@H](ON=C(C)C)C(=O)Nc1cc(C(C)=O)ccc1[O-] ZINC000273518756 334048301 /nfs/dbraw/zinc/04/83/01/334048301.db2.gz 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ZINC000361543604 336761789 /nfs/dbraw/zinc/76/17/89/336761789.db2.gz OXOCRUHUBSQFHO-CQSZACIVSA-N -1 0 303.346 3.658 20 30 DHEDRM CC(=Cc1csc2ccccc12)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193610209 337078500 /nfs/dbraw/zinc/07/85/00/337078500.db2.gz WZMFKTCOIRGWNO-JXMROGBWSA-N -1 0 307.378 3.725 20 30 DHEDRM COc1ccccc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000177772029 337157303 /nfs/dbraw/zinc/15/73/03/337157303.db2.gz NFLMQBUMYNXVRK-LBPRGKRZSA-N -1 0 300.383 3.765 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2sc(CC3CC3)nc2C)n1 ZINC000190773896 337290644 /nfs/dbraw/zinc/29/06/44/337290644.db2.gz ZPNWCSVEBICRKK-NSHDSACASA-N -1 0 317.439 3.659 20 30 DHEDRM CCCc1ncc(C([O-])=C(C#N)c2cnc3ccccc3n2)s1 ZINC000190916865 337291313 /nfs/dbraw/zinc/29/13/13/337291313.db2.gz SZXSXECRVXWUOL-LLVKDONJSA-N -1 0 322.393 3.529 20 30 DHEDRM Cc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1F ZINC000190923600 337291488 /nfs/dbraw/zinc/29/14/88/337291488.db2.gz IBGNKJPWNAJSCO-CYBMUJFWSA-N -1 0 305.312 3.567 20 30 DHEDRM C=C(C)C[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000263270398 337625982 /nfs/dbraw/zinc/62/59/82/337625982.db2.gz LWYWMJBUIRYKBK-RISCZKNCSA-N -1 0 309.793 3.574 20 30 DHEDRM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC000006950889 337993201 /nfs/dbraw/zinc/99/32/01/337993201.db2.gz IAPRQYCNQBVVAJ-UHFFFAOYSA-N -1 0 314.410 3.657 20 30 DHEDRM CC(C)c1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)n[nH]1 ZINC000430621007 338109948 /nfs/dbraw/zinc/10/99/48/338109948.db2.gz CSDARBDQGVFJSF-SNVBAGLBSA-N -1 0 316.430 3.777 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2cccc3c2OCC3(C)C)n1 ZINC000434614667 338221105 /nfs/dbraw/zinc/22/11/05/338221105.db2.gz IUAZDLSFDGMMMP-GFCCVEGCSA-N -1 0 312.394 3.612 20 30 DHEDRM CCCCn1ncc(C([O-])=C(C#N)c2nc3ccccc3o2)c1C ZINC000435741855 338247283 /nfs/dbraw/zinc/24/72/83/338247283.db2.gz QYIMHLFIISQQIU-CYBMUJFWSA-N -1 0 322.368 3.623 20 30 DHEDRM CC[C@H](CC#N)NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436964454 338296078 /nfs/dbraw/zinc/29/60/78/338296078.db2.gz 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Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1[C@H](C)[C@@H]1C1CC1 ZINC000528913254 340738813 /nfs/dbraw/zinc/73/88/13/340738813.db2.gz MHJIOHPLPOWOKV-CMEAIPBUSA-N -1 0 320.392 3.660 20 30 DHEDRM CCC(C#N)(CC)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000528946238 340740344 /nfs/dbraw/zinc/74/03/44/340740344.db2.gz PONUCYOAMWNWHV-UHFFFAOYSA-N -1 0 301.173 3.967 20 30 DHEDRM N#Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000545444813 341125268 /nfs/dbraw/zinc/12/52/68/341125268.db2.gz NZEOZWYEAPSXNE-UHFFFAOYSA-N -1 0 313.165 3.884 20 30 DHEDRM Cc1ccc(C=CC(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)o1 ZINC000077882593 341232199 /nfs/dbraw/zinc/23/21/99/341232199.db2.gz VDQYVILWEURFRW-NHAQELONSA-N -1 0 319.382 3.649 20 30 DHEDRM CCCCC(CC)N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC000736439710 598788258 /nfs/dbraw/zinc/78/82/58/598788258.db2.gz TYKQKZCTNVGJAK-UHFFFAOYSA-N -1 0 319.413 3.520 20 30 DHEDRM O=C([O-])c1ccc2[nH]cc(C=NNc3ccc(F)cc3F)c2c1 ZINC000740190731 600180698 /nfs/dbraw/zinc/18/06/98/600180698.db2.gz PVOCBJYEJWUUOV-UHFFFAOYSA-N -1 0 315.279 3.590 20 30 DHEDRM C=C(Br)CSc1nc2ccc(C(=O)[O-])cc2o1 ZINC000736095155 600277998 /nfs/dbraw/zinc/27/79/98/600277998.db2.gz LKJAXFYDLLUXGL-UHFFFAOYSA-N -1 0 314.160 3.527 20 30 DHEDRM CCCCCCCCCNC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736983966 600341999 /nfs/dbraw/zinc/34/19/99/600341999.db2.gz TXQUEDGRXGLWPV-HNNXBMFYSA-N -1 0 324.465 3.633 20 30 DHEDRM Cc1ccc2c(c1C)C(=O)/C(=C/c1ccc(C(=O)[O-])cc1)CO2 ZINC000737443085 600366359 /nfs/dbraw/zinc/36/63/59/600366359.db2.gz FKOQCSQMOYWZOQ-OQLLNIDSSA-N -1 0 308.333 3.660 20 30 DHEDRM N#Cc1ccnc(S[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000739142423 600379236 /nfs/dbraw/zinc/37/92/36/600379236.db2.gz LOGRYWBANVWMAI-CYBMUJFWSA-N -1 0 304.758 3.525 20 30 DHEDRM CO[C@@H](C)c1cccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737732115 600597488 /nfs/dbraw/zinc/59/74/88/600597488.db2.gz BPBJYLFYAXJPNO-YVEFUNNKSA-N -1 0 310.353 3.503 20 30 DHEDRM CC(C)c1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736512809 600603586 /nfs/dbraw/zinc/60/35/86/600603586.db2.gz NVQZGKZXIHPAJQ-KRWDZBQOSA-N -1 0 323.348 3.664 20 30 DHEDRM C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)[O-] ZINC000737694290 600741474 /nfs/dbraw/zinc/74/14/74/600741474.db2.gz JUOREWMWQHBEBI-SNVBAGLBSA-N -1 0 316.744 3.889 20 30 DHEDRM C[C@@H](Nc1ccc(OCCC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000827773201 600745464 /nfs/dbraw/zinc/74/54/64/600745464.db2.gz CJFYLKPOPCUUTJ-CYBMUJFWSA-N -1 0 310.353 3.585 20 30 DHEDRM O=C([O-])COc1ccc(C(=O)/C=C\c2ccccc2C2CC2)cc1 ZINC000833252838 601208276 /nfs/dbraw/zinc/20/82/76/601208276.db2.gz KCVJBEYGNGGVRU-XFXZXTDPSA-N -1 0 322.360 3.924 20 30 DHEDRM N#Cc1cccc([C@@H](Nc2ccc3ccccc3c2)C(=O)[O-])c1 ZINC000833076810 601298202 /nfs/dbraw/zinc/29/82/02/601298202.db2.gz ZJXKJNQISOZNCZ-GOSISDBHSA-N -1 0 302.333 3.949 20 30 DHEDRM CC(C)Oc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000827058456 601300241 /nfs/dbraw/zinc/30/02/41/601300241.db2.gz GCMMLQHIVQTBLC-QGZVFWFLSA-N -1 0 310.353 3.583 20 30 DHEDRM N#Cc1cccc([C@H](C(=O)[O-])N2CCC[C@H]2c2cccs2)c1 ZINC000833074161 601309904 /nfs/dbraw/zinc/30/99/04/601309904.db2.gz QGMCPOHUBUZISK-GOEBONIOSA-N -1 0 312.394 3.583 20 30 DHEDRM CN(Cc1cc2ccccc2o1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830811103 601323782 /nfs/dbraw/zinc/32/37/82/601323782.db2.gz MNGOEMABNZLFQO-GOSISDBHSA-N -1 0 320.348 3.562 20 30 DHEDRM O=C([O-])c1ccc(C=NN=C2c3ccccc3-c3ccccc32)[nH]1 ZINC000749809863 601336686 /nfs/dbraw/zinc/33/66/86/601336686.db2.gz LHOAKWNSWFKOMD-UHFFFAOYSA-N -1 0 315.332 3.565 20 30 DHEDRM C[C@H](CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)CC(C)(C)C ZINC000827391927 601349943 /nfs/dbraw/zinc/34/99/43/601349943.db2.gz OGXQQOMRHQKTAK-WBMJQRKESA-N -1 0 317.385 3.690 20 30 DHEDRM C=CCc1ccc(OCc2ccc(C(=O)[O-])c(F)c2)c(OC)c1 ZINC000825705928 601629313 /nfs/dbraw/zinc/62/93/13/601629313.db2.gz VUQIBAXGOSQAHN-UHFFFAOYSA-N -1 0 316.328 3.840 20 30 DHEDRM C[C@@H](Oc1ccc(C=NNc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000794856610 602065285 /nfs/dbraw/zinc/06/52/85/602065285.db2.gz NEAQCXATWGUOGA-LLVKDONJSA-N -1 0 318.760 3.638 20 30 DHEDRM C=CCC(CC=C)C(=O)N(c1ccccc1)[C@H](CC)C(=O)[O-] ZINC000825659925 602295177 /nfs/dbraw/zinc/29/51/77/602295177.db2.gz LFYRMMVLGZXTPX-MRXNPFEDSA-N -1 0 301.386 3.651 20 30 DHEDRM O=C([O-])c1ccc(NCC#Cc2ccc(Cl)cc2)cc1F ZINC000833320642 602304284 /nfs/dbraw/zinc/30/42/84/602304284.db2.gz XDMAMNCGJAQQRC-UHFFFAOYSA-N -1 0 303.720 3.641 20 30 DHEDRM C=C1CCN(C(=O)c2cc3ccccc3cc2NC(=O)[O-])CC1 ZINC000738494026 602675841 /nfs/dbraw/zinc/67/58/41/602675841.db2.gz PDGCLGPPNOEVPT-UHFFFAOYSA-N -1 0 310.353 3.722 20 30 DHEDRM C#CCOc1ccccc1CNc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000823467502 603178550 /nfs/dbraw/zinc/17/85/50/603178550.db2.gz YGOZZWARLOXEQT-CQSZACIVSA-N -1 0 324.380 3.639 20 30 DHEDRM N#CC1(c2nc(-c3cccc(NC(=O)[O-])c3)no2)CCCCC1 ZINC000831075817 603771115 /nfs/dbraw/zinc/77/11/15/603771115.db2.gz DCZZEEAYYKTNCH-UHFFFAOYSA-N -1 0 312.329 3.552 20 30 DHEDRM C=CCC(CC=C)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000823490914 604066891 /nfs/dbraw/zinc/06/68/91/604066891.db2.gz NPNCWCMZKQCPOB-LBPRGKRZSA-N -1 0 302.374 3.722 20 30 DHEDRM O=C([O-])c1ccc(C(=O)/C=C/c2cccc(OC(F)F)c2)cc1 ZINC000833309986 604630882 /nfs/dbraw/zinc/63/08/82/604630882.db2.gz KTHDZNYGJFFRSG-RUDMXATFSA-N -1 0 318.275 3.882 20 30 DHEDRM CC(C)c1nc(C#N)c(N=NC(C)[C@H](C)CCCCC(=O)[O-])o1 ZINC000814821040 604637987 /nfs/dbraw/zinc/63/79/87/604637987.db2.gz UHYIGCDMKZTDBX-LLVKDONJSA-N -1 0 320.393 3.739 20 30 DHEDRM CC(=NNCc1cc(F)ccc1F)[C@H](C)CCCCC(=O)[O-] ZINC000814809265 604637998 /nfs/dbraw/zinc/63/79/98/604637998.db2.gz UMNGKWNSQKATJR-LLVKDONJSA-N -1 0 312.360 3.711 20 30 DHEDRM CC(=NNCc1ccc(F)cc1F)[C@H](C)CCCCC(=O)[O-] ZINC000814829709 604638606 /nfs/dbraw/zinc/63/86/06/604638606.db2.gz GVMOQJQQGQFIKO-LLVKDONJSA-N -1 0 312.360 3.711 20 30 DHEDRM CC(N=Nc1cnc2ccccc2n1)[C@H](C)CCCCC(=O)[O-] ZINC000814831059 604638715 /nfs/dbraw/zinc/63/87/15/604638715.db2.gz ZHBQTKSIURGWNY-GFCCVEGCSA-N -1 0 314.389 3.699 20 30 DHEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc2ccccc2c1 ZINC000763369015 604666924 /nfs/dbraw/zinc/66/69/24/604666924.db2.gz DUEVRIMMRDMJCN-UHFFFAOYSA-N -1 0 305.337 3.769 20 30 DHEDRM C=C[C@@H](CC(=O)O[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000833370262 604731811 /nfs/dbraw/zinc/73/18/11/604731811.db2.gz ACOQKFCKBHHWAA-KSSFIOAISA-N -1 0 310.349 3.715 20 30 DHEDRM C=C[C@@H](CC(=O)O[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000833370258 604731925 /nfs/dbraw/zinc/73/19/25/604731925.db2.gz ACOQKFCKBHHWAA-KBXCAEBGSA-N -1 0 310.349 3.715 20 30 DHEDRM C=C[C@H](CC(=O)Oc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000833370644 604762291 /nfs/dbraw/zinc/76/22/91/604762291.db2.gz FQJXMJNMXDAEJD-OAHLLOKOSA-N -1 0 310.349 3.579 20 30 DHEDRM N#CCCCOc1cccc(NCc2ccc(C(=O)[O-])cc2)c1 ZINC000321704041 604775063 /nfs/dbraw/zinc/77/50/63/604775063.db2.gz UIBZSFNQRWMXMH-UHFFFAOYSA-N -1 0 310.353 3.679 20 30 DHEDRM C=CCCC[C@@H](C)NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000398066376 605073231 /nfs/dbraw/zinc/07/32/31/605073231.db2.gz DYOHBPUXHDYHGM-CYBMUJFWSA-N -1 0 304.390 3.570 20 30 DHEDRM O=C([O-])c1ccccc1N=NC(C[C@@H]1CCOC1)c1ccccc1 ZINC000753924218 605097234 /nfs/dbraw/zinc/09/72/34/605097234.db2.gz RJLBIYPNXHUGTG-AWEZNQCLSA-N -1 0 324.380 3.628 20 30 DHEDRM CC(C)(C)c1ncc(C=NNc2ccccc2C(=O)[O-])s1 ZINC000833450440 605098958 /nfs/dbraw/zinc/09/89/58/605098958.db2.gz CBGVEVKNBWHNDQ-UHFFFAOYSA-N -1 0 303.387 3.585 20 30 DHEDRM C[C@H]1C/C(=C\c2ccc(OCC(=O)[O-])cc2)C(=O)c2ccccc21 ZINC000255584219 605144412 /nfs/dbraw/zinc/14/44/12/605144412.db2.gz IHZJRWPJHQWUQP-JMRXEAOASA-N -1 0 322.360 3.924 20 30 DHEDRM CC1(C)c2ccccc2C(=O)/C1=C\c1ccc(OCC(=O)[O-])cc1 ZINC000833555088 605146694 /nfs/dbraw/zinc/14/66/94/605146694.db2.gz PSHXMFZWRLWIPY-GZTJUZNOSA-N -1 0 322.360 3.708 20 30 DHEDRM Cc1ccc(C(=O)Nc2cccc(C#N)c2C)cc1NC(=O)[O-] ZINC000830234241 605204297 /nfs/dbraw/zinc/20/42/97/605204297.db2.gz PFWYOVPIRREFFZ-UHFFFAOYSA-N -1 0 309.325 3.517 20 30 DHEDRM C=C(C)CN(C)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000833368668 605397022 /nfs/dbraw/zinc/39/70/22/605397022.db2.gz OZYXNNDDUHJLRY-UHFFFAOYSA-N -1 0 310.419 3.784 20 30 DHEDRM N#CC1(COC(=O)c2ccc(NC(=O)[O-])cc2Cl)CCCC1 ZINC000833964969 605782270 /nfs/dbraw/zinc/78/22/70/605782270.db2.gz WDFQXMZLSPMBCW-UHFFFAOYSA-N -1 0 322.748 3.671 20 30 DHEDRM N#CC1(c2ccc(C(=O)Oc3ccc(NC(=O)[O-])cc3)cc2)CC1 ZINC000833963621 606110421 /nfs/dbraw/zinc/11/04/21/606110421.db2.gz PDEHSDNOSYORSA-UHFFFAOYSA-N -1 0 322.320 3.551 20 30 DHEDRM C=CC[C@@H]1CCCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC001602718177 971373162 /nfs/dbraw/zinc/37/31/62/971373162.db2.gz FIUMXYQDMJXLKZ-OAHLLOKOSA-N -1 0 316.401 3.524 20 30 DHEDRM O=C(CCC1CCCC1)[N-]S(=O)(=O)c1ccccc1Cl ZINC000048518883 1013092778 /nfs/dbraw/zinc/09/27/78/1013092778.db2.gz SBXKCKGSGQZFEP-UHFFFAOYSA-N -1 0 315.822 3.956 20 30 DHEDRM CCCCC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000048519741 1013102265 /nfs/dbraw/zinc/10/22/65/1013102265.db2.gz HQZDCPPONKHRKB-UHFFFAOYSA-N -1 0 309.309 3.541 20 30 DHEDRM C=CCCc1ccccc1NC(=O)NCCCCCC(=O)[O-] ZINC000417798444 953420602 /nfs/dbraw/zinc/42/06/02/953420602.db2.gz RQTPZHJZTIZJTN-UHFFFAOYSA-N -1 0 304.390 3.572 20 30 DHEDRM Cc1cc(C)c(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)cc1C ZINC000008321969 956885669 /nfs/dbraw/zinc/88/56/69/956885669.db2.gz DMEWQPLELJBVNA-RMKNXTFCSA-N -1 0 324.376 3.971 20 30 DHEDRM C#CCN(CC(=O)[O-])[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC001588420476 958204815 /nfs/dbraw/zinc/20/48/15/958204815.db2.gz ZQNZRTSYLGHBMG-HNNXBMFYSA-N -1 0 309.365 3.560 20 30 DHEDRM C=CC1(CC(=O)NCc2ccc(C(=O)[O-])cc2)CCCCC1 ZINC001588451945 958417357 /nfs/dbraw/zinc/41/73/57/958417357.db2.gz FYAAQTJNFFFARP-UHFFFAOYSA-N -1 0 301.386 3.528 20 30 DHEDRM O=C([O-])c1ccc(/C=C2/CCOc3cc(F)ccc3C2=O)cc1 ZINC000180457815 959438052 /nfs/dbraw/zinc/43/80/52/959438052.db2.gz AIQAFHQLTWOZFT-LCYFTJDESA-N -1 0 312.296 3.573 20 30 DHEDRM Cc1nc(N[C@@H](CCC(C)(C)C)C(=O)[O-])c(Cl)cc1C#N ZINC001594460195 959446898 /nfs/dbraw/zinc/44/68/98/959446898.db2.gz VODLURVHXYHGLK-LBPRGKRZSA-N -1 0 309.797 3.607 20 30 DHEDRM Cc1cc(NC(=O)C[C@H](CC#N)c2ccccc2)ccc1C(=O)[O-] ZINC001574337846 960913380 /nfs/dbraw/zinc/91/33/80/960913380.db2.gz LXJSLJARLVSMDL-HNNXBMFYSA-N -1 0 322.364 3.719 20 30 DHEDRM O=C([O-])c1ccc(-c2ccc(/C=C\C(=O)c3ccncc3)o2)cc1 ZINC001319953476 960964729 /nfs/dbraw/zinc/96/47/29/960964729.db2.gz ANXKZUHZYDXJJS-ALCCZGGFSA-N -1 0 319.316 3.936 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC001573331881 962818702 /nfs/dbraw/zinc/81/87/02/962818702.db2.gz CZONEDIIBUQFQJ-KRWDZBQOSA-N -1 0 315.413 3.895 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC001573332547 962837099 /nfs/dbraw/zinc/83/70/99/962837099.db2.gz OSVCZCPPLSGMJB-RDTXWAMCSA-N -1 0 315.413 3.716 20 30 DHEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001573352838 962993432 /nfs/dbraw/zinc/99/34/32/962993432.db2.gz KWKFTAVSCBUXRL-GJZGRUSLSA-N -1 0 307.434 3.663 20 30 DHEDRM C=CCC1(CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCCC1 ZINC001573352875 962994682 /nfs/dbraw/zinc/99/46/82/962994682.db2.gz LVLWBFWREPLBAB-UHFFFAOYSA-N -1 0 320.364 3.782 20 30 DHEDRM C=CCCC[C@@H](NC(=O)/C(C)=C\C1CCC(C)CC1)C(=O)[O-] ZINC001573357767 963021403 /nfs/dbraw/zinc/02/14/03/963021403.db2.gz SECBTEONEXHNRA-RCTLQQIKSA-N -1 0 307.434 3.685 20 30 DHEDRM C=CCCC[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001573364669 963050018 /nfs/dbraw/zinc/05/00/18/963050018.db2.gz AIXVMVKXACSPHE-GFCCVEGCSA-N -1 0 316.184 3.533 20 30 DHEDRM C=CCCC[C@H](NC(=O)c1cc2cc(F)ccc2s1)C(=O)[O-] ZINC001573367138 963064292 /nfs/dbraw/zinc/06/42/92/963064292.db2.gz SFDCTFLDMARKCT-LBPRGKRZSA-N -1 0 321.373 3.580 20 30 DHEDRM C#CCCCCC(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001588440686 964042110 /nfs/dbraw/zinc/04/21/10/964042110.db2.gz JDWFJDSRXHULEW-UHFFFAOYSA-N -1 0 320.414 3.631 20 30 DHEDRM C#CCCCCCC(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001588440794 964044928 /nfs/dbraw/zinc/04/49/28/964044928.db2.gz QTFXEISUFFYWOZ-UHFFFAOYSA-N -1 0 311.740 3.700 20 30 DHEDRM C#CCCCCCC(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001588440850 964046783 /nfs/dbraw/zinc/04/67/83/964046783.db2.gz UAPFLIWMXSVGOT-UHFFFAOYSA-N -1 0 305.399 3.629 20 30 DHEDRM CC(C)n1nccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430622629 1013641865 /nfs/dbraw/zinc/64/18/65/1013641865.db2.gz FVSITEGVWAVNRU-LLVKDONJSA-N -1 0 316.430 3.708 20 30 DHEDRM Cc1ncsc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430640884 1013730726 /nfs/dbraw/zinc/73/07/26/1013730726.db2.gz LGCGBWXSQSOEJW-VIFPVBQESA-N -1 0 305.428 3.696 20 30 DHEDRM CC(C)C1CCC(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000330607400 1013825920 /nfs/dbraw/zinc/82/59/20/1013825920.db2.gz JSAHMTUAEVHRAX-UHFFFAOYSA-N -1 0 306.362 3.820 20 30 DHEDRM Cc1cc([C@@H](C)NC(=O)N=c2nc(C(C)(C)C)[n-]s2)c(C)o1 ZINC000330834730 1013841413 /nfs/dbraw/zinc/84/14/13/1013841413.db2.gz VQPGKBLQBZETSL-SECBINFHSA-N -1 0 322.434 3.554 20 30 DHEDRM C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2ccc(F)cc2[O-])cc1 ZINC000255131729 1013850139 /nfs/dbraw/zinc/85/01/39/1013850139.db2.gz RCKBYNJBDZSNIC-TWLAMCEISA-N -1 0 311.312 3.718 20 30 DHEDRM Cc1nc(C([O-])=C(C#N)c2nc3ccccc3s2)sc1C ZINC000683689190 1013856602 /nfs/dbraw/zinc/85/66/02/1013856602.db2.gz QLRFJQKQSRBTDV-JTQLQIEISA-N -1 0 313.407 3.860 20 30 DHEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)C2CC=CC2)c1C ZINC000077940535 1013857615 /nfs/dbraw/zinc/85/76/15/1013857615.db2.gz OGKADOMIQQETDM-UHFFFAOYSA-N -1 0 307.415 3.532 20 30 DHEDRM Cc1[nH]c2ccccc2c1C(=O)/C=C/c1ccc([N+](=O)[O-])c([O-])c1 ZINC000748147418 1014030910 /nfs/dbraw/zinc/03/09/10/1014030910.db2.gz OBFBVYZGKXCQPG-VQHVLOKHSA-N -1 0 322.320 3.986 20 30 DHEDRM COC(=O)c1scc(C#N)c1Nc1cccc([O-])c1Cl ZINC001210852023 1014071123 /nfs/dbraw/zinc/07/11/23/1014071123.db2.gz RWKKYLZWFCKZTD-UHFFFAOYSA-N -1 0 308.746 3.509 20 30 DHEDRM O=C([O-])c1ccc(/C=C2\CCOc3cc(F)ccc3C2=O)cc1 ZINC000588419226 974965099 /nfs/dbraw/zinc/96/50/99/974965099.db2.gz AIQAFHQLTWOZFT-UKTHLTGXSA-N -1 0 312.296 3.573 20 30 DHEDRM CC(C)(C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000083791362 1014226782 /nfs/dbraw/zinc/22/67/82/1014226782.db2.gz DZAKIVHJEQCAGR-UHFFFAOYSA-N -1 0 303.811 3.563 20 30 DHEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000659166747 975765872 /nfs/dbraw/zinc/76/58/72/975765872.db2.gz SALKZORACVPZSX-DOTOQJQBSA-N -1 0 315.413 3.569 20 30 DHEDRM C=CC[C@@H]1N(C(=O)c2cccc(CC(=O)[O-])c2)CCCC1(C)C ZINC000668321833 975997829 /nfs/dbraw/zinc/99/78/29/975997829.db2.gz ZZEOEZKEHHJUEA-INIZCTEOSA-N -1 0 315.413 3.521 20 30 DHEDRM CC(C)Oc1cccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC001591795963 976004998 /nfs/dbraw/zinc/00/49/98/976004998.db2.gz XCUQLIXXNRQMFA-KRWDZBQOSA-N -1 0 310.353 3.583 20 30 DHEDRM COc1ccc2c(c1)C(=O)/C(=C\c1cc(C(=O)[O-])cs1)CC2 ZINC000782207481 1014406360 /nfs/dbraw/zinc/40/63/60/1014406360.db2.gz OLMUQOHQFHXLNZ-WDZFZDKYSA-N -1 0 314.362 3.667 20 30 DHEDRM N#Cc1cnc2c(Cl)cccc2c1NCCCCCC(=O)[O-] ZINC000580892964 1014428674 /nfs/dbraw/zinc/42/86/74/1014428674.db2.gz QCRRSWFYMJIPMT-UHFFFAOYSA-N -1 0 317.776 3.817 20 30 DHEDRM CCO[C@@H]1CC(N=Nc2cccc(C(=O)[O-])c2)C12CCCC2 ZINC000743417964 978679025 /nfs/dbraw/zinc/67/90/25/978679025.db2.gz RGUOZRDQVNACMX-OAHLLOKOSA-N -1 0 302.374 3.522 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1N=NC(C)CSC(C)(C)C ZINC000756901667 978701702 /nfs/dbraw/zinc/70/17/02/978701702.db2.gz VOMUNHGVIHFGPV-UHFFFAOYSA-N -1 0 310.419 3.713 20 30 DHEDRM O=C([O-])c1cccc(/C=C/C(=O)c2ccccc2OC(F)F)c1 ZINC000774119709 978746065 /nfs/dbraw/zinc/74/60/65/978746065.db2.gz GHYYYLHGVOAQMJ-CMDGGOBGSA-N -1 0 318.275 3.882 20 30 DHEDRM Cn1cc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)c2ccccc21 ZINC000774139339 978746882 /nfs/dbraw/zinc/74/68/82/978746882.db2.gz OXMUCBVAQCJGTN-KTKRTIGZSA-N -1 0 305.333 3.773 20 30 DHEDRM O=C([O-])c1ccc(N=NCc2ccc(SC(F)F)cc2)nc1 ZINC000781596265 978791286 /nfs/dbraw/zinc/79/12/86/978791286.db2.gz AULWMOMAOYZPGK-UHFFFAOYSA-N -1 0 323.324 3.541 20 30 DHEDRM N#Cc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000788361014 978797002 /nfs/dbraw/zinc/79/70/02/978797002.db2.gz RSPKLVCPGWEIDN-YWEYNIOJSA-N -1 0 311.724 3.806 20 30 DHEDRM CC(C)c1nc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)cs1 ZINC000812243951 978868979 /nfs/dbraw/zinc/86/89/79/978868979.db2.gz WGUUUAXMEAJUMV-VOTSOKGWSA-N -1 0 301.367 3.861 20 30 DHEDRM C[C@@H]1C(N=Nc2nc3ccccc3s2)CC[C@H]1CC(=O)[O-] ZINC000814685761 978871933 /nfs/dbraw/zinc/87/19/33/978871933.db2.gz WCGBZHDFYGULHK-UWVGGRQHSA-N -1 0 303.387 3.585 20 30 DHEDRM C=CC[C@@H]1N(C(=O)c2ccc(/C=C\C(=O)[O-])o2)CCCC1(C)C ZINC000826573017 978947035 /nfs/dbraw/zinc/94/70/35/978947035.db2.gz YRBMWDQBGKUJCG-WWRUEGTHSA-N -1 0 317.385 3.584 20 30 DHEDRM C=C[C@@H](CC(=O)Nc1ccsc1C(=O)[O-])c1ccccc1 ZINC000833372017 979172529 /nfs/dbraw/zinc/17/25/29/979172529.db2.gz ZPXHMEQFESUIDH-NSHDSACASA-N -1 0 301.367 3.745 20 30 DHEDRM Cc1cc([N-]S(=O)(=O)c2ccccc2C#N)cc(C)c1Cl ZINC000442229643 1014646452 /nfs/dbraw/zinc/64/64/52/1014646452.db2.gz NNLFORXTSWWGEH-UHFFFAOYSA-N -1 0 320.801 3.629 20 30 DHEDRM N#CC1(CCCCN2CC[C@H](C(=O)[O-])c3ccccc32)CCC1 ZINC000903701089 981015231 /nfs/dbraw/zinc/01/52/31/981015231.db2.gz FYDZJOHANAOGHC-INIZCTEOSA-N -1 0 312.413 3.929 20 30 DHEDRM C=C[C@@H](CC)CC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000907609640 981199556 /nfs/dbraw/zinc/19/95/56/981199556.db2.gz DWGQCZSQFLUSDI-SMDDNHRTSA-N -1 0 309.793 3.574 20 30 DHEDRM C=CCC(C)(C)C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000909217086 981434733 /nfs/dbraw/zinc/43/47/33/981434733.db2.gz PIEMMUMMWYXQKW-UHFFFAOYSA-N -1 0 317.410 3.818 20 30 DHEDRM CCCCCCCC(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001595703232 982268721 /nfs/dbraw/zinc/26/87/21/982268721.db2.gz QSZWSWKERWKZCG-QGZVFWFLSA-N -1 0 305.418 3.906 20 30 DHEDRM CCCCCCCCC/C=C/C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001595705444 982285167 /nfs/dbraw/zinc/28/51/67/982285167.db2.gz ZWOWWSNYLJANAN-BWLFODOESA-N -1 0 313.413 3.707 20 30 DHEDRM CCC[C@H](C(=O)Nc1n[nH]c(C(F)(F)F)n1)c1ccccc1 ZINC000071798888 1014845384 /nfs/dbraw/zinc/84/53/84/1014845384.db2.gz XTIUQWCECMHAHM-JTQLQIEISA-N -1 0 312.295 3.995 20 30 DHEDRM N#CC1(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CC2(CC2)C1 ZINC000923100851 982724678 /nfs/dbraw/zinc/72/46/78/982724678.db2.gz BVUVMYRMEAQYGC-UHFFFAOYSA-N -1 0 320.348 3.560 20 30 DHEDRM O=C([O-])c1ccc(-c2ccc(/C=C\C(=O)c3cccnc3)o2)cc1 ZINC001116003267 982923100 /nfs/dbraw/zinc/92/31/00/982923100.db2.gz SBGOTCIZZGFOHZ-CLFYSBASSA-N -1 0 319.316 3.936 20 30 DHEDRM C=C(C)C[C@H](NC(=O)C=C1CCC(C(C)(C)C)CC1)C(=O)[O-] ZINC001588540918 983605833 /nfs/dbraw/zinc/60/58/33/983605833.db2.gz OUKFKZVWLKTEKY-LOACHALJSA-N -1 0 307.434 3.685 20 30 DHEDRM C=C(C)Cc1cccc(C(=O)[O-])c1OCCc1cscn1 ZINC001588576827 983653890 /nfs/dbraw/zinc/65/38/90/983653890.db2.gz AMMXLSOXTHRBOO-UHFFFAOYSA-N -1 0 303.383 3.581 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N1C[C@H](C(C)(C)C)Cc2ccccc21 ZINC001588612337 983702614 /nfs/dbraw/zinc/70/26/14/983702614.db2.gz NIPAGAMOSCNQBD-OAHLLOKOSA-N -1 0 315.413 3.659 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N(CCC)[C@H](CC)c1ccccc1 ZINC001588612520 983703484 /nfs/dbraw/zinc/70/34/84/983703484.db2.gz 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ZINC001588690767 983877064 /nfs/dbraw/zinc/87/70/64/983877064.db2.gz LCMCGXFXYIHNLM-AWEZNQCLSA-N -1 0 309.365 3.992 20 30 DHEDRM C=C[C@@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC001588713174 983948278 /nfs/dbraw/zinc/94/82/78/983948278.db2.gz RTXZMDLXXKEZAJ-OAHLLOKOSA-N -1 0 300.285 3.608 20 30 DHEDRM C=CC1(CC(=O)OCc2nc(C)c(C(=O)[O-])s2)CCCCC1 ZINC001588719524 983961053 /nfs/dbraw/zinc/96/10/53/983961053.db2.gz VJGJNTXFXHHGBJ-UHFFFAOYSA-N -1 0 323.414 3.720 20 30 DHEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001588744440 984042891 /nfs/dbraw/zinc/04/28/91/984042891.db2.gz LHHGSJSYAKNEJC-INIZCTEOSA-N -1 0 324.380 3.694 20 30 DHEDRM C=CCC1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCCCC1 ZINC001588764480 984122330 /nfs/dbraw/zinc/12/23/30/984122330.db2.gz BGVJCSVLECBRDU-UHFFFAOYSA-N -1 0 305.349 3.989 20 30 DHEDRM C=CCC1(CNC(=O)c2cc(C)cc(C(=O)[O-])c2)CCCC1 ZINC001588767073 984127627 /nfs/dbraw/zinc/12/76/27/984127627.db2.gz HPRFAUARVIOHDI-UHFFFAOYSA-N -1 0 301.386 3.560 20 30 DHEDRM C=CCC1(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)CCCC1 ZINC001588767102 984128330 /nfs/dbraw/zinc/12/83/30/984128330.db2.gz JMKGCWGXFILMOK-UHFFFAOYSA-N -1 0 320.364 3.782 20 30 DHEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001588771066 984137400 /nfs/dbraw/zinc/13/74/00/984137400.db2.gz NJGJCTQQHXUZHB-HIFRSBDPSA-N -1 0 316.401 3.950 20 30 DHEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001588771521 984140206 /nfs/dbraw/zinc/14/02/06/984140206.db2.gz WZRZFLKGFVUNIN-FZMZJTMJSA-N -1 0 320.364 3.780 20 30 DHEDRM C=CC[C@@H]1CCN1[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001588772223 984141958 /nfs/dbraw/zinc/14/19/58/984141958.db2.gz ASVVHEVWMPRGBN-MFKMUULPSA-N -1 0 300.185 3.770 20 30 DHEDRM C=CCCC(C)(C)CNC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588776725 984152938 /nfs/dbraw/zinc/15/29/38/984152938.db2.gz CUEIATLOOKEKMP-AWEZNQCLSA-N -1 0 324.465 3.511 20 30 DHEDRM C=CCCC(C)(C)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001588777683 984157313 /nfs/dbraw/zinc/15/73/13/984157313.db2.gz 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/nfs/dbraw/zinc/27/52/25/984275225.db2.gz DKWSKLDHFRLELJ-UHFFFAOYSA-N -1 0 324.380 3.825 20 30 DHEDRM C=CCN(Cc1cccc(C#N)c1)[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001588832490 984322679 /nfs/dbraw/zinc/32/26/79/984322679.db2.gz HJFBGMKDHJWJHQ-CQSZACIVSA-N -1 0 324.380 3.907 20 30 DHEDRM C=CCN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001588832576 984323642 /nfs/dbraw/zinc/32/36/42/984323642.db2.gz JQINUZNZGQODPW-UHFFFAOYSA-N -1 0 324.380 3.913 20 30 DHEDRM CC(=O)c1c(C)cc(OCc2cccc(C(=O)[O-])c2C#N)cc1C ZINC001589255659 985896741 /nfs/dbraw/zinc/89/67/41/985896741.db2.gz ZTNWPDMJLCBTBR-UHFFFAOYSA-N -1 0 323.348 3.655 20 30 DHEDRM Cc1c(C#N)cccc1NC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001599974433 986066098 /nfs/dbraw/zinc/06/60/98/986066098.db2.gz CJQUYWBAAOPAAB-GFCCVEGCSA-N -1 0 323.352 3.699 20 30 DHEDRM CC(C)(C)Oc1cccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC001590419596 989961377 /nfs/dbraw/zinc/96/13/77/989961377.db2.gz FIBVFBHCFWBYCL-KRWDZBQOSA-N -1 0 324.380 3.973 20 30 DHEDRM C[C@@H]1CCC[C@H](CC(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)C1 ZINC000329095032 1015639255 /nfs/dbraw/zinc/63/92/55/1015639255.db2.gz KQNFZNHTJKSOFW-NEPJUHHUSA-N -1 0 314.389 3.982 20 30 DHEDRM CN(CC(C)(C)C#N)[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001598419139 991751475 /nfs/dbraw/zinc/75/14/75/991751475.db2.gz COGCXRYPJDUNFK-LBPRGKRZSA-N -1 0 315.200 3.601 20 30 DHEDRM Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)nn1C(F)F ZINC000341709594 1015687728 /nfs/dbraw/zinc/68/77/28/1015687728.db2.gz WDPATVZFIVWVNW-VIFPVBQESA-N -1 0 324.356 3.657 20 30 DHEDRM CC(C)CN(Cc1cc(C(=O)[O-])cs1)c1ccc(C#N)cc1 ZINC001591342496 992320904 /nfs/dbraw/zinc/32/09/04/992320904.db2.gz DWTCFXXHZWDKKN-UHFFFAOYSA-N -1 0 314.410 3.981 20 30 DHEDRM COc1cc(Nc2ccc(C#N)c(Cl)c2)cc(C(=O)[O-])c1 ZINC001213591376 1015702499 /nfs/dbraw/zinc/70/24/99/1015702499.db2.gz ZDFIFNHHYXKVFI-UHFFFAOYSA-N -1 0 302.717 3.662 20 30 DHEDRM C[C@H](Nc1ccc(C2CC2)c(C#N)c1)c1ncc(C(=O)[O-])s1 ZINC001593363841 995038707 /nfs/dbraw/zinc/03/87/07/995038707.db2.gz 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ZINC000176323155 1016011519 /nfs/dbraw/zinc/01/15/19/1016011519.db2.gz UQPUSPZRZXVKGU-BOFQVRIASA-N -1 0 320.389 3.705 20 30 DHEDRM COc1cc(C#N)ccc1CSCc1cccc(C(=O)[O-])c1 ZINC001599347407 998033213 /nfs/dbraw/zinc/03/32/13/998033213.db2.gz GPEJILYZLMNGHO-UHFFFAOYSA-N -1 0 313.378 3.698 20 30 DHEDRM COc1cc(C(=O)/C=C/c2ccoc2C(=O)[O-])ccc1SC ZINC001599350059 998077990 /nfs/dbraw/zinc/07/79/90/998077990.db2.gz UURQOTRVBMNIFN-HWKANZROSA-N -1 0 318.350 3.604 20 30 DHEDRM COc1ccc(Cl)cc1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001599577093 998462170 /nfs/dbraw/zinc/46/21/70/998462170.db2.gz GYZKHJHBTXNLPD-ARJAWSKDSA-N -1 0 306.701 3.536 20 30 DHEDRM CO[C@@H](CN=Nc1ccc(C(=O)[O-])c(Cl)c1)C1CCCC1 ZINC001599044386 999140748 /nfs/dbraw/zinc/14/07/48/999140748.db2.gz WJUFMQIIWOYMSP-AWEZNQCLSA-N -1 0 310.781 3.641 20 30 DHEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc([O-])c(F)c1 ZINC000588508916 1016517297 /nfs/dbraw/zinc/51/72/97/1016517297.db2.gz UVRJQPZPLOHEGZ-DJWKRKHSSA-N -1 0 321.691 3.989 20 30 DHEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N/CC1(CF)CCOCC1 ZINC000840710683 1016581815 /nfs/dbraw/zinc/58/18/15/1016581815.db2.gz UGMQMRQCMQVVAW-CNHKJKLMSA-N -1 0 320.191 3.884 20 30 DHEDRM Cc1cc(Nc2nc(Cl)cc(C)c2C#N)cc(C(=O)[O-])c1 ZINC001211542861 1016633996 /nfs/dbraw/zinc/63/39/96/1016633996.db2.gz RLVBVSOANDEFQD-UHFFFAOYSA-N -1 0 301.733 3.665 20 30 DHEDRM N#Cc1ccc(Nc2ccc(CCC(=O)[O-])cc2)c(F)c1F ZINC001213632030 1016921406 /nfs/dbraw/zinc/92/14/06/1016921406.db2.gz SAHQFHJBOIRZMB-UHFFFAOYSA-N -1 0 302.280 3.597 20 30 DHEDRM Cc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c(C)o1 ZINC000362169770 1032258546 /nfs/dbraw/zinc/25/85/46/1032258546.db2.gz BQVPTABTVALVCC-LBPRGKRZSA-N -1 0 308.259 3.800 20 30 DHEDRM N#CCC[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000121002574 1032412847 /nfs/dbraw/zinc/41/28/47/1032412847.db2.gz XIABHJZIFZTDTC-HNNXBMFYSA-N -1 0 314.772 3.820 20 30 DHEDRM N#C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[O-])c1ccccc1 ZINC001148806127 1032446440 /nfs/dbraw/zinc/44/64/40/1032446440.db2.gz 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ZINC000179008959 1017204664 /nfs/dbraw/zinc/20/46/64/1017204664.db2.gz GBEXSGMKIWXPJF-CQSZACIVSA-N -1 0 313.316 3.866 20 30 DHEDRM N#Cc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2Cl)s1 ZINC000588559598 1017881281 /nfs/dbraw/zinc/88/12/81/1017881281.db2.gz SKYBBRRRJODGQP-XQRVVYSFSA-N -1 0 317.753 3.867 20 30 DHEDRM Cc1cccnc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000674299663 1017943643 /nfs/dbraw/zinc/94/36/43/1017943643.db2.gz SETLSMGRBNCYMV-LLVKDONJSA-N -1 0 311.341 3.629 20 30 DHEDRM Cc1c2cccc(Cl)c2oc1C([O-])=C(C#N)c1ccncn1 ZINC000354468376 1018799305 /nfs/dbraw/zinc/79/93/05/1018799305.db2.gz LYXFNXKDDHSADH-LLVKDONJSA-N -1 0 311.728 3.675 20 30 DHEDRM CC(C)(C)OCCCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000611145468 1019402067 /nfs/dbraw/zinc/40/20/67/1019402067.db2.gz WRDFLHKHMJENTN-UHFFFAOYSA-N -1 0 307.438 3.548 20 30 DHEDRM Cc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(C)cc2C)s1 ZINC000065763934 1019749373 /nfs/dbraw/zinc/74/93/73/1019749373.db2.gz DEAFHDMSDZABPQ-UHFFFAOYSA-N -1 0 323.439 3.561 20 30 DHEDRM CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccc(F)cc1[O-] ZINC000727779000 1019777339 /nfs/dbraw/zinc/77/73/39/1019777339.db2.gz VXIKKOKMWORNLT-UHFFFAOYSA-N -1 0 303.293 3.584 20 30 DHEDRM Cc1cc(C(=O)[O-])ccc1Nc1ccc(N2CCCC2)c(C#N)c1 ZINC001211624951 1019884004 /nfs/dbraw/zinc/88/40/04/1019884004.db2.gz YOBUCTRSGXDOGY-UHFFFAOYSA-N -1 0 321.380 3.909 20 30 DHEDRM O=C([O-])c1cc(C(=O)/C=C/c2cc(F)c(F)c(F)c2)cs1 ZINC000730148273 1019954128 /nfs/dbraw/zinc/95/41/28/1019954128.db2.gz DGMRDTZDGOVRBP-OWOJBTEDSA-N -1 0 312.268 3.760 20 30 DHEDRM C=CCOc1cccc(/C=C/C(=O)c2csc(C(=O)[O-])c2)c1 ZINC000730148903 1019954182 /nfs/dbraw/zinc/95/41/82/1019954182.db2.gz PEMRGVDKGGJEDC-VOTSOKGWSA-N -1 0 314.362 3.907 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000255617078 1019997164 /nfs/dbraw/zinc/99/71/64/1019997164.db2.gz HIPRZBWYVHDPLF-UHFFFAOYSA-N -1 0 321.676 3.613 20 30 DHEDRM O=C(/C=C/c1cccc(OC(F)F)c1)c1ccc(O)cc1[O-] ZINC000176954470 1020105890 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O=C([O-])COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1 ZINC000733204939 1020344313 /nfs/dbraw/zinc/34/43/13/1020344313.db2.gz FGDQGOUJAZPKRG-RUDMXATFSA-N -1 0 316.740 3.700 20 30 DHEDRM CO[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000733204799 1020346104 /nfs/dbraw/zinc/34/61/04/1020346104.db2.gz AANSSXLQBYDJFF-UKDBMXSWSA-N -1 0 316.106 3.695 20 30 DHEDRM O=C([O-])COc1cccc(/C=C\C(=O)c2cccc(Cl)c2)c1 ZINC000733205541 1020346199 /nfs/dbraw/zinc/34/61/99/1020346199.db2.gz YXXIKWDTJZEPEM-FPLPWBNLSA-N -1 0 316.740 3.700 20 30 DHEDRM COc1ccc2c(c1)CC/C(=C/c1cc(C(=O)[O-])cs1)C2=O ZINC000765826562 1020453752 /nfs/dbraw/zinc/45/37/52/1020453752.db2.gz RKAXJFLTKDGCKZ-XFFZJAGNSA-N -1 0 314.362 3.667 20 30 DHEDRM CCn1nc(C(C)C)cc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000073976957 1020515836 /nfs/dbraw/zinc/51/58/36/1020515836.db2.gz MWCLEJZTDOQIFJ-LBPRGKRZSA-N -1 0 322.368 3.658 20 30 DHEDRM Cc1cc(F)ccc1/C=C\C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000749590510 1020523192 /nfs/dbraw/zinc/52/31/92/1020523192.db2.gz 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CCCCCc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)n[nH]1 ZINC000659010717 1021107618 /nfs/dbraw/zinc/10/76/18/1021107618.db2.gz XXGDBGOCSLYJMO-CYBMUJFWSA-N -1 0 321.384 3.509 20 30 DHEDRM O=C([O-])c1ccc(C(=O)C=Cc2c[nH]c(-c3ccccc3)n2)s1 ZINC000742432071 1021123569 /nfs/dbraw/zinc/12/35/69/1021123569.db2.gz RYRLNPSTSBCEBB-SREVYHEPSA-N -1 0 324.361 3.733 20 30 DHEDRM N#Cc1cc(C(F)(F)F)cc(-c2c(F)ccc([O-])c2F)n1 ZINC001241290686 1021188181 /nfs/dbraw/zinc/18/81/81/1021188181.db2.gz AWXATHBIYSDLCT-UHFFFAOYSA-N -1 0 300.186 3.623 20 30 DHEDRM CS[C@@H]1CC[C@@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000743042107 1021208149 /nfs/dbraw/zinc/20/81/49/1021208149.db2.gz GKVLYBQJPVBTAB-UOZUHTBQSA-N -1 0 314.794 3.657 20 30 DHEDRM CC1(C)C(N=Nc2ccc(Cl)c(C(=O)[O-])c2)[C@@H]2CCCO[C@@H]21 ZINC000743417927 1021289355 /nfs/dbraw/zinc/28/93/55/1021289355.db2.gz PZKAEQIPJQFHSJ-HZMBPMFUSA-N -1 0 322.792 3.641 20 30 DHEDRM CCO[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cc2)C12CCCC2 ZINC000743419375 1021290109 /nfs/dbraw/zinc/29/01/09/1021290109.db2.gz UAOGBCXWBJWQEF-OAHLLOKOSA-N -1 0 302.374 3.522 20 30 DHEDRM CC(C)Oc1ccccc1C/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000917558468 1021294972 /nfs/dbraw/zinc/29/49/72/1021294972.db2.gz SRJZNOMWVNVXCY-WOJGMQOQSA-N -1 0 314.341 3.707 20 30 DHEDRM N#Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000189755092 1021437933 /nfs/dbraw/zinc/43/79/33/1021437933.db2.gz LEVNUYUVUXVBME-UHFFFAOYSA-N -1 0 307.136 3.823 20 30 DHEDRM CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000070031402 1021486249 /nfs/dbraw/zinc/48/62/49/1021486249.db2.gz YSIDZIQEMUZGNE-CYBMUJFWSA-N -1 0 323.458 3.893 20 30 DHEDRM COc1ccc(C)cc1C=NNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000744756251 1021593803 /nfs/dbraw/zinc/59/38/03/1021593803.db2.gz RTMHOVLXQCCHBR-UHFFFAOYSA-N -1 0 318.760 3.801 20 30 DHEDRM Cc1ccsc1/C=C/C(=O)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000745021511 1021640982 /nfs/dbraw/zinc/64/09/82/1021640982.db2.gz QAQNCUBJNMMMDJ-NNNHXZLVSA-N -1 0 316.378 3.805 20 30 DHEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2cccc(F)c2)c1)C(=O)[O-] ZINC000745021472 1021641013 /nfs/dbraw/zinc/64/10/13/1021641013.db2.gz PCFQOIFAWJBISK-JLVNDZCYSA-N -1 0 314.312 3.574 20 30 DHEDRM Cc1ccccc1/C=C\C(=O)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000745020092 1021641593 /nfs/dbraw/zinc/64/15/93/1021641593.db2.gz BOAZSUBHPDPDGN-IWMPZKFUSA-N -1 0 310.349 3.743 20 30 DHEDRM Cc1ccsc1/C=C\C(=O)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000745021513 1021642086 /nfs/dbraw/zinc/64/20/86/1021642086.db2.gz QAQNCUBJNMMMDJ-ZHRWSRJISA-N -1 0 316.378 3.805 20 30 DHEDRM CCc1ncc(C([O-])=C(C#N)c2ccc3ccccc3n2)s1 ZINC000146806874 1021643609 /nfs/dbraw/zinc/64/36/09/1021643609.db2.gz LVVXCCUEXPQVRP-LBPRGKRZSA-N -1 0 307.378 3.744 20 30 DHEDRM C[C@H]1CC(NN=Cc2cc(Cl)c([O-])cc2Cl)C[C@H](C)O1 ZINC000901305852 1021677853 /nfs/dbraw/zinc/67/78/53/1021677853.db2.gz GCHHVNVDAWBTFW-IUCAKERBSA-N -1 0 317.216 3.579 20 30 DHEDRM N#CC(=C([O-])c1cc2cccc(F)c2o1)c1nc2ccccc2[nH]1 ZINC000122415342 1021705053 /nfs/dbraw/zinc/70/50/53/1021705053.db2.gz MYMSAMIKOWPZMD-NSHDSACASA-N -1 0 319.295 3.938 20 30 DHEDRM C[C@@H](Oc1cccc(/C=C\C(=O)c2cccc(F)c2)c1)C(=O)[O-] ZINC000208112870 1021714521 /nfs/dbraw/zinc/71/45/21/1021714521.db2.gz HUNZXKRTQCJDKP-JLVNDZCYSA-N -1 0 314.312 3.574 20 30 DHEDRM CCCCCCCCc1nnc(NC(=O)c2ccon2)s1 ZINC000920278304 1022095255 /nfs/dbraw/zinc/09/52/55/1022095255.db2.gz GXFQZXGGHANVMX-UHFFFAOYSA-N -1 0 308.407 3.681 20 30 DHEDRM CC(CCc1cccc(F)c1)N=Nc1ccc(C(=O)[O-])cc1 ZINC000920360052 1022108820 /nfs/dbraw/zinc/10/88/20/1022108820.db2.gz UHJCPRGRJBKRIT-UHFFFAOYSA-N -1 0 300.333 3.945 20 30 DHEDRM CC(F)(F)C(=O)[N-]C(CCC(F)(F)F)CCC(F)(F)F ZINC000853851048 1022361036 /nfs/dbraw/zinc/36/10/36/1022361036.db2.gz PEGCRBWYKUEMPR-UHFFFAOYSA-N -1 0 315.204 3.811 20 30 DHEDRM Cc1cn2c(/C=C/C(=O)c3ccc([O-])c(F)c3)c(C)nc2s1 ZINC000170851826 1022431736 /nfs/dbraw/zinc/43/17/36/1022431736.db2.gz LPBLLBRYBPZEFH-GQCTYLIASA-N -1 0 316.357 3.753 20 30 DHEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1Cl ZINC000179985331 1022599807 /nfs/dbraw/zinc/59/98/07/1022599807.db2.gz VFQCYMAWDSNHPO-UHFFFAOYSA-N -1 0 320.801 3.629 20 30 DHEDRM C=CC[C@@H]1CCCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000855438800 1022634140 /nfs/dbraw/zinc/63/41/40/1022634140.db2.gz PACNXRUJMMVBEM-LLVKDONJSA-N -1 0 302.399 3.545 20 30 DHEDRM Cc1nc(C(C)C)oc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000644786644 1022906392 /nfs/dbraw/zinc/90/63/92/1022906392.db2.gz JBNCCLILXMCMOH-NSHDSACASA-N -1 0 309.325 3.738 20 30 DHEDRM CC(CCCCCCC(=O)[O-])N=Nc1nc2cccnc2s1 ZINC000857218835 1022970147 /nfs/dbraw/zinc/97/01/47/1022970147.db2.gz WUPUSCSMMDGHNJ-UHFFFAOYSA-N -1 0 320.418 3.904 20 30 DHEDRM CC(=NNc1ccccc1C(=O)[O-])c1ccc(O)c(Cl)c1 ZINC000768772046 1023023967 /nfs/dbraw/zinc/02/39/67/1023023967.db2.gz GXUAEUXPYVSBFZ-UHFFFAOYSA-N -1 0 304.733 3.580 20 30 DHEDRM C#CCN(CC)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000769168150 1023096293 /nfs/dbraw/zinc/09/62/93/1023096293.db2.gz XSGWCVMUAZMYFY-UHFFFAOYSA-N 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O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000809159945 1026471987 /nfs/dbraw/zinc/47/19/87/1026471987.db2.gz ZRKCBIARVMBIAE-DAXSKMNVSA-N -1 0 321.691 3.989 20 30 DHEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(C2=CCCC2)cc1 ZINC000810535305 1026778614 /nfs/dbraw/zinc/77/86/14/1026778614.db2.gz DUEFQSXHEFMZDY-GOSISDBHSA-N -1 0 322.408 3.635 20 30 DHEDRM Cc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nc1C ZINC000420278175 1026797869 /nfs/dbraw/zinc/79/78/69/1026797869.db2.gz UXPCQFLEHPARMZ-LBPRGKRZSA-N -1 0 313.426 3.943 20 30 DHEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1nccc2ccccc21 ZINC000811629212 1027040321 /nfs/dbraw/zinc/04/03/21/1027040321.db2.gz VEPNOLHXTNNOGB-UHFFFAOYSA-N -1 0 305.337 3.769 20 30 DHEDRM Cc1cccnc1N=NC1CCCCc2cc(C(=O)[O-])ccc21 ZINC000811649152 1027050113 /nfs/dbraw/zinc/05/01/13/1027050113.db2.gz CSANVAMHASCZQX-UHFFFAOYSA-N -1 0 309.369 3.631 20 30 DHEDRM N#Cc1c(F)cccc1/C=C\C(=O)c1cc(F)cc(F)c1[O-] ZINC000811693919 1027068667 /nfs/dbraw/zinc/06/86/67/1027068667.db2.gz 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Cc1c(C=NNc2ccc(C(=O)[O-])cc2)n(C)c2ccccc12 ZINC000814680710 1028151795 /nfs/dbraw/zinc/15/17/95/1028151795.db2.gz FTFIVSAFCIVGCJ-UHFFFAOYSA-N -1 0 307.353 3.631 20 30 DHEDRM CC(Cc1ccc(O)cc1)N=Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000814688508 1028167988 /nfs/dbraw/zinc/16/79/88/1028167988.db2.gz AQPMFOUEWPPYRI-UHFFFAOYSA-N -1 0 318.760 3.774 20 30 DHEDRM CC(=NNc1cccc2ncccc21)c1csc(C(=O)[O-])c1 ZINC000814804211 1028228808 /nfs/dbraw/zinc/22/88/08/1028228808.db2.gz DTSQGSMNSACNGZ-UHFFFAOYSA-N -1 0 311.366 3.831 20 30 DHEDRM CC(CCCCCCC(=O)[O-])=NNCc1ccc(F)c(F)c1 ZINC000814808427 1028231492 /nfs/dbraw/zinc/23/14/92/1028231492.db2.gz KRYXXYZCZLEHGM-UHFFFAOYSA-N -1 0 312.360 3.856 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1N=NC1CCCC12CCCC2 ZINC000814886461 1028263724 /nfs/dbraw/zinc/26/37/24/1028263724.db2.gz CLOFOBIEOOKABY-UHFFFAOYSA-N -1 0 302.374 3.906 20 30 DHEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)=NOCC(C)C ZINC000814883920 1028281185 /nfs/dbraw/zinc/28/11/85/1028281185.db2.gz HPHDEAOTGPKAOX-UHFFFAOYSA-N -1 0 307.390 3.521 20 30 DHEDRM O=C([O-])C1(c2cccc(Cl)c2)CC(=NOC/C=C\Cl)C1 ZINC000814934459 1028290884 /nfs/dbraw/zinc/29/08/84/1028290884.db2.gz VNDKGOTWQWIJQV-OAIFAGKMSA-N -1 0 314.168 3.581 20 30 DHEDRM CCCCOc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000748003359 1028527383 /nfs/dbraw/zinc/52/73/83/1028527383.db2.gz OJPBYTYMHBCCPD-UHFFFAOYSA-N -1 0 310.353 3.695 20 30 DHEDRM Cc1c(C(=O)/C=C\c2cc(Cl)c([O-])cc2Cl)cnn1C ZINC000778519972 1028683249 /nfs/dbraw/zinc/68/32/49/1028683249.db2.gz VNWSOCLNPKEYEB-ARJAWSKDSA-N -1 0 311.168 3.637 20 30 DHEDRM O=C(C=CC1CC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000076755763 1028709495 /nfs/dbraw/zinc/70/94/95/1028709495.db2.gz AGJXUUDUUNQSJN-ZZXKWVIFSA-N -1 0 320.197 3.605 20 30 DHEDRM Cc1noc(C(C)C)c1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000041541232 1028746361 /nfs/dbraw/zinc/74/63/61/1028746361.db2.gz PROIEEQNHAHHGS-NSHDSACASA-N -1 0 309.325 3.738 20 30 DHEDRM CC(C)c1nocc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000528917548 1028936344 /nfs/dbraw/zinc/93/63/44/1028936344.db2.gz 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O=C([O-])COc1ccc(/C=C/C(=O)c2cc3ccccc3o2)cc1 ZINC000007745000 1029821096 /nfs/dbraw/zinc/82/10/96/1029821096.db2.gz FGHVLQMEBCUPHR-JXMROGBWSA-N -1 0 322.316 3.792 20 30 DHEDRM N#Cc1c(F)cccc1/C=C(\CC(=O)[O-])c1nc2ccccc2o1 ZINC000357142728 1029910404 /nfs/dbraw/zinc/91/04/04/1029910404.db2.gz CBKVDZHKUWYBGY-XYOKQWHBSA-N -1 0 322.295 3.854 20 30 DHEDRM N#Cc1c(F)cccc1/C=C(/CC(=O)[O-])c1nc2ccccc2o1 ZINC000357142719 1029911038 /nfs/dbraw/zinc/91/10/38/1029911038.db2.gz CBKVDZHKUWYBGY-WQLSENKSSA-N -1 0 322.295 3.854 20 30 DHEDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C1\Cc2c(cccc2O)C1=O ZINC000794940346 1030395933 /nfs/dbraw/zinc/39/59/33/1030395933.db2.gz XPUJGQPZRRUEOE-NTUHNPAUSA-N -1 0 308.333 3.530 20 30 DHEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccco3)n2)cc1 ZINC000066544142 1030513323 /nfs/dbraw/zinc/51/33/23/1030513323.db2.gz QXISISRWRKMUDB-CYBMUJFWSA-N -1 0 324.361 3.902 20 30 DHEDRM N#CC(=C([O-])c1ccco1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066545011 1030514504 /nfs/dbraw/zinc/51/45/04/1030514504.db2.gz 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1031734313 /nfs/dbraw/zinc/73/43/13/1031734313.db2.gz CVGNDJDYOPKTKH-DGCLKSJQSA-N -1 0 303.427 3.811 20 30 DHEDRM CCC(C)=CC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845833026 1031734607 /nfs/dbraw/zinc/73/46/07/1031734607.db2.gz IRYQPHGOLCAPSX-RUNBWSAHSA-N -1 0 301.411 3.875 20 30 DHEDRM CCCC=CC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845837495 1031736823 /nfs/dbraw/zinc/73/68/23/1031736823.db2.gz ORGVSDIRNXJDEX-UKOWJOKBSA-N -1 0 301.411 3.875 20 30 DHEDRM Cc1cc(C)c(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)o1 ZINC000845842089 1031741166 /nfs/dbraw/zinc/74/11/66/1031741166.db2.gz RGFDUKBWQRTWPL-HNNXBMFYSA-N -1 0 307.349 3.520 20 30 DHEDRM CC[C@H](C)n1ncc(C([O-])=C(C#N)c2nc3ccccc3o2)c1C ZINC000361195550 1031783004 /nfs/dbraw/zinc/78/30/04/1031783004.db2.gz JZLHSSGOOXUNFU-WCQYABFASA-N -1 0 322.368 3.794 20 30 DHEDRM CC(C)(C)c1nc(C([O-])=C(C#N)c2nc(C3CC3)cs2)co1 ZINC000873542468 1031864480 /nfs/dbraw/zinc/86/44/80/1031864480.db2.gz QXTSJYPCROHLHF-SNVBAGLBSA-N -1 0 315.398 3.796 20 30 DHEDRM Cc1ccc(F)cc1/C=C\C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000777920580 1031886177 /nfs/dbraw/zinc/88/61/77/1031886177.db2.gz PEBJXJYNHYLTOL-UTCJRWHESA-N -1 0 301.273 3.644 20 30 DHEDRM CCc1ncsc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000361540231 1031976886 /nfs/dbraw/zinc/97/68/86/1031976886.db2.gz IMYLKVYMQVIWNN-CYBMUJFWSA-N -1 0 307.378 3.744 20 30 DHEDRM CCCCCCCCC[C@H](CCC)[NH2+]CCOP(=O)([O-])[O-] ZINC001173284820 1033677348 /nfs/dbraw/zinc/67/73/48/1033677348.db2.gz KAAMWLVNYUOLMQ-HNNXBMFYSA-N -1 0 323.414 3.995 20 30 DHEDRM C=C[C@@H](C)O[N-]C(=O)[C@@H](CC)c1ccc(Br)cc1 ZINC000862133312 1033768915 /nfs/dbraw/zinc/76/89/15/1033768915.db2.gz XNMLXVCRVDFSFX-MFKMUULPSA-N -1 0 312.207 3.565 20 30 DHEDRM O=C(/C=C\c1ccccc1OC(F)F)c1ccc(O)cc1[O-] ZINC000210011950 1034007893 /nfs/dbraw/zinc/00/78/93/1034007893.db2.gz MRCQPTOFUHKVKH-YVMONPNESA-N -1 0 306.264 3.595 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1N=NCc1ccc(C(F)F)cc1 ZINC000794524835 1034081411 /nfs/dbraw/zinc/08/14/11/1034081411.db2.gz 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1035264269 /nfs/dbraw/zinc/26/42/69/1035264269.db2.gz BHWBDIBMDONXSY-UHFFFAOYSA-N -1 0 301.352 3.671 20 30 DHEDRM N#CCc1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)ccc1F ZINC001176588926 1035290676 /nfs/dbraw/zinc/29/06/76/1035290676.db2.gz PWCHQKSCMYOPKY-UHFFFAOYSA-N -1 0 310.328 3.752 20 30 DHEDRM N#Cc1cc(F)cc(F)c1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176597061 1035296617 /nfs/dbraw/zinc/29/66/17/1035296617.db2.gz LKOSUCFELWRBGZ-ZZXKWVIFSA-N -1 0 300.264 3.678 20 30 DHEDRM C[C@H](C#N)c1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001176676725 1035311454 /nfs/dbraw/zinc/31/14/54/1035311454.db2.gz IIGPCQHBHLUEJC-SNVBAGLBSA-N -1 0 311.297 3.664 20 30 DHEDRM N#Cc1ccc(Nc2c(F)cc(F)c([O-])c2F)c(F)c1F ZINC001176673334 1035311577 /nfs/dbraw/zinc/31/15/77/1035311577.db2.gz SVEXDYYOCISLBL-UHFFFAOYSA-N -1 0 300.186 3.703 20 30 DHEDRM CCOc1nc(C(=O)Nc2scc(C(C)(C)C)c2C#N)co1 ZINC000905776408 1035638079 /nfs/dbraw/zinc/63/80/79/1035638079.db2.gz BHSALHQIUYJTJQ-UHFFFAOYSA-N -1 0 319.386 3.556 20 30 DHEDRM C=CCn1ncc2ccc(N[C@@H]3CC[C@@H](CC(=O)[O-])[C@@H]3C)cc21 ZINC000905752419 1035642112 /nfs/dbraw/zinc/64/21/12/1035642112.db2.gz PNXHRMNYTBCDGW-HEHGZKQESA-N -1 0 313.401 3.524 20 30 DHEDRM C=CCn1ncc2ccc(N[C@@H]3CC[C@H](C(=O)[O-])[C@H](C)C3)cc21 ZINC000905752606 1035643688 /nfs/dbraw/zinc/64/36/88/1035643688.db2.gz SMCWOORHJKBZGF-XPKDYRNWSA-N -1 0 313.401 3.524 20 30 DHEDRM N#Cc1cc(C(=O)Nc2c(Cl)ccc3ncccc32)ccc1[O-] ZINC001193506050 1035654785 /nfs/dbraw/zinc/65/47/85/1035654785.db2.gz QSSOJYUSAFABBF-UHFFFAOYSA-N -1 0 323.739 3.718 20 30 DHEDRM CCc1cc(NC(=O)c2ccc([O-])c(C#N)c2)cc(CC)c1C#N ZINC001193512379 1035657766 /nfs/dbraw/zinc/65/77/66/1035657766.db2.gz NGXSPJRUDXTPBR-UHFFFAOYSA-N -1 0 319.364 3.513 20 30 DHEDRM Cc1cc(=O)n(-c2ccc(-c3ccc(C4CC4)c(C#N)c3)cn2)[n-]1 ZINC000906199237 1035824635 /nfs/dbraw/zinc/82/46/35/1035824635.db2.gz MQCZRMKWONSIHJ-UHFFFAOYSA-N -1 0 316.364 3.610 20 30 DHEDRM CCCCCCCC[C@H](C)CC(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000775603573 1035958763 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ZINC001195914877 1036386815 /nfs/dbraw/zinc/38/68/15/1036386815.db2.gz ZLFFHDRAMJTDMF-UHFFFAOYSA-N -1 0 319.336 3.659 20 30 DHEDRM C=C(C)COc1cccc(NC(=O)c2ccc(F)cc2[O-])c1 ZINC001182570083 1036389448 /nfs/dbraw/zinc/38/94/48/1036389448.db2.gz VFHSVPRMHPEXAH-UHFFFAOYSA-N -1 0 301.317 3.739 20 30 DHEDRM C=CCCC[C@H](NC(=O)Nc1ccc(C(F)F)cc1)C(=O)[O-] ZINC000908638873 1036457676 /nfs/dbraw/zinc/45/76/76/1036457676.db2.gz YYYOYPZXBOYHQB-LBPRGKRZSA-N -1 0 312.316 3.555 20 30 DHEDRM O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000176379054 1036609274 /nfs/dbraw/zinc/60/92/74/1036609274.db2.gz JGSBZGVXHDWCOA-DAFODLJHSA-N -1 0 309.730 3.911 20 30 DHEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)N2CC=CC2)c1 ZINC001197364558 1036752939 /nfs/dbraw/zinc/75/29/39/1036752939.db2.gz CPIDCIULDQMXQZ-UHFFFAOYSA-N -1 0 315.413 3.947 20 30 DHEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)N(C)CC#N)c1 ZINC001197364922 1036754347 /nfs/dbraw/zinc/75/43/47/1036754347.db2.gz FXBPFMPEFUKNEF-UHFFFAOYSA-N -1 0 316.401 3.531 20 30 DHEDRM O=C(CCC(=O)C1=CC=C[CH]1)Nc1cc2ccccc2cc1O ZINC001184245550 1036783500 /nfs/dbraw/zinc/78/35/00/1036783500.db2.gz SPAJRPYZVULNLU-UHFFFAOYSA-N -1 0 306.341 3.534 20 30 DHEDRM O=C(CCC(=O)C1=CC=C[CH]1)Nc1ccc2cc(F)ccc2c1 ZINC001184245176 1036784376 /nfs/dbraw/zinc/78/43/76/1036784376.db2.gz KRTXEVOTTPURQY-UHFFFAOYSA-N -1 0 308.332 3.967 20 30 DHEDRM CC(C)C[C@H](NC(=O)CCC(=O)C1=CC=C[CH]1)c1ccccc1 ZINC001184244149 1036784715 /nfs/dbraw/zinc/78/47/15/1036784715.db2.gz MZXZGFKBUKGDQT-SFHVURJKSA-N -1 0 310.417 3.940 20 30 DHEDRM O=C(CCC(=O)C1=CC=C[CH]1)Nc1ccccc1-c1nccs1 ZINC001184243305 1036784932 /nfs/dbraw/zinc/78/49/32/1036784932.db2.gz CKLRYCQADWAANY-UHFFFAOYSA-N -1 0 323.397 3.798 20 30 DHEDRM N#CCC[C@@H](NC(=O)c1cccc(Cl)c1[O-])c1ccccc1 ZINC000775782244 1036849879 /nfs/dbraw/zinc/84/98/79/1036849879.db2.gz TWCTXPCAWSIMPS-OAHLLOKOSA-N -1 0 314.772 3.820 20 30 DHEDRM C=CCOc1ccc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000238152515 1037042124 /nfs/dbraw/zinc/04/21/24/1037042124.db2.gz 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ZINC000054892878 1038000210 /nfs/dbraw/zinc/00/02/10/1038000210.db2.gz VLAXIBRKUXFHEI-QGMBQPNBSA-N -1 0 323.179 3.757 20 30 DHEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(CCCC)cc1 ZINC000916877858 1038019114 /nfs/dbraw/zinc/01/91/14/1038019114.db2.gz XZKZALDSAWQLGT-KRWDZBQOSA-N -1 0 314.429 3.658 20 30 DHEDRM O=C(/C=C\c1nc2c(s1)CCCC2)c1ccc([O-])c(F)c1 ZINC000776264581 1038121455 /nfs/dbraw/zinc/12/14/55/1038121455.db2.gz HHZHQLCHUOVMBT-FPLPWBNLSA-N -1 0 303.358 3.763 20 30 DHEDRM O=C(/C=C\c1nc2c(s1)CCCC2)c1cc(F)ccc1[O-] ZINC000776264077 1038123943 /nfs/dbraw/zinc/12/39/43/1038123943.db2.gz FPUOYSVPHBUDGI-FPLPWBNLSA-N -1 0 303.358 3.763 20 30 DHEDRM CCCCCCCCCCC(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000917098260 1038192017 /nfs/dbraw/zinc/19/20/17/1038192017.db2.gz CFSQWAJVACBGTB-UHFFFAOYSA-N -1 0 301.394 3.622 20 30 DHEDRM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)c2cc(O)cc(C#N)c2)C1 ZINC000587989368 1038207704 /nfs/dbraw/zinc/20/77/04/1038207704.db2.gz HHEHLXQFSKSVOL-KUHUBIRLSA-N -1 0 320.392 3.877 20 30 DHEDRM 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601312228 /nfs/dbraw/zinc/31/22/28/601312228.db2.gz XWWQDTKNZJHJTN-HZPDHXFCSA-N -1 0 312.394 3.583 20 30 DHEDRM CCc1ccc([C@@H]2CCCN2[C@@H](C(=O)[O-])c2cccc(C#N)c2)o1 ZINC000830237688 601318821 /nfs/dbraw/zinc/31/88/21/601318821.db2.gz MECOGLYABVLIPA-FUHWJXTLSA-N -1 0 324.380 3.676 20 30 DHEDRM O=C([O-])c1cc(/C=C/C(=O)c2cc(Cl)sc2Cl)c[nH]1 ZINC000833298225 601792426 /nfs/dbraw/zinc/79/24/26/601792426.db2.gz QKFQPEPCDJWPSJ-OWOJBTEDSA-N -1 0 316.165 3.977 20 30 DHEDRM CCOc1ccc(Cl)cc1C(=O)/C=C\c1c[nH]c(C(=O)[O-])c1 ZINC000830080504 601792860 /nfs/dbraw/zinc/79/28/60/601792860.db2.gz OBOREDHWPADOOZ-HYXAFXHYSA-N -1 0 319.744 3.661 20 30 DHEDRM C[C@@H](Oc1ccc(C=NNc2ccccc2Cl)cc1)C(=O)[O-] ZINC000794862995 602065279 /nfs/dbraw/zinc/06/52/79/602065279.db2.gz XPRVIQKTBQVHPD-LLVKDONJSA-N -1 0 318.760 3.638 20 30 DHEDRM C[C@H](Oc1ccc(/C=C/C(=O)c2ccccc2F)cc1)C(=O)[O-] ZINC000827884337 602106066 /nfs/dbraw/zinc/10/60/66/602106066.db2.gz GGTASKHLHWQAHG-OBIHZWKSSA-N -1 0 314.312 3.574 20 30 DHEDRM C[C@@H](Oc1ccc(/C=C/C(=O)C2CCCCC2)cc1)C(=O)[O-] ZINC000827884702 602108511 /nfs/dbraw/zinc/10/85/11/602108511.db2.gz ZJWOBKJWWLOFNY-CNELAYHGSA-N -1 0 302.370 3.701 20 30 DHEDRM C[C@@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000738989577 602602054 /nfs/dbraw/zinc/60/20/54/602602054.db2.gz RNLNBYKFHMCHCC-LLVKDONJSA-N -1 0 324.340 3.531 20 30 DHEDRM C[C@H](NC(=O)[O-])c1ccc(CNc2cccc(F)c2C#N)cc1 ZINC000825403087 604347824 /nfs/dbraw/zinc/34/78/24/604347824.db2.gz SMGOGOYOIXKJTC-NSHDSACASA-N -1 0 313.332 3.638 20 30 DHEDRM CC(C)CC1(C(=O)OCc2cccc(C(=O)[O-])c2C#N)CCC1 ZINC000833480370 604584672 /nfs/dbraw/zinc/58/46/72/604584672.db2.gz PATJBRIHVDJGRJ-UHFFFAOYSA-N -1 0 315.369 3.516 20 30 DHEDRM CC(C)c1ncc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)s1 ZINC000827158855 604628879 /nfs/dbraw/zinc/62/88/79/604628879.db2.gz SJHVDQGAQRIGBR-FPLPWBNLSA-N -1 0 301.367 3.861 20 30 DHEDRM CC(C)c1nc(C#N)c(N=NC(C)[C@@H](C)CCCCC(=O)[O-])o1 ZINC000814821041 604637922 /nfs/dbraw/zinc/63/79/22/604637922.db2.gz 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C=CCC[C@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccccc1 ZINC000833372968 605262434 /nfs/dbraw/zinc/26/24/34/605262434.db2.gz BYSFFVAVSFHNJT-SFHVURJKSA-N -1 0 323.392 3.751 20 30 DHEDRM N#CCc1ccc(-c2nc(-c3cccc(NC(=O)[O-])c3)no2)cc1 ZINC000833967946 605488641 /nfs/dbraw/zinc/48/86/41/605488641.db2.gz OGSPQTDXMKYIIZ-UHFFFAOYSA-N -1 0 320.308 3.560 20 30 DHEDRM C#CCCCCCC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000833361723 605619217 /nfs/dbraw/zinc/61/92/17/605619217.db2.gz JDDPKEVJOZFMKG-OAHLLOKOSA-N -1 0 321.804 3.556 20 30 DHEDRM C=CCCC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833372932 605714311 /nfs/dbraw/zinc/71/43/11/605714311.db2.gz BHHVVFYGMVNBRF-GFCCVEGCSA-N -1 0 303.141 3.629 20 30 DHEDRM C=C[C@@H](CC)CC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001602717215 971364570 /nfs/dbraw/zinc/36/45/70/971364570.db2.gz DPBXTUBEBZQJDT-AWEZNQCLSA-N -1 0 315.413 3.693 20 30 DHEDRM C=CCC1(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CCCCC1 ZINC001602718487 971374979 /nfs/dbraw/zinc/37/49/79/971374979.db2.gz 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C=C(CC(C)C)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001573326331 962803311 /nfs/dbraw/zinc/80/33/11/962803311.db2.gz VHEZYKIADFGTJP-OAHLLOKOSA-N -1 0 303.402 3.557 20 30 DHEDRM C=CC(C)(C)CCCNC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC001573347978 962954337 /nfs/dbraw/zinc/95/43/37/962954337.db2.gz RAMCJLOLGGKLKT-UHFFFAOYSA-N -1 0 319.405 3.568 20 30 DHEDRM C=C[C@@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001573348268 962957841 /nfs/dbraw/zinc/95/78/41/962957841.db2.gz URDLXEIMUCIEBA-QGZVFWFLSA-N -1 0 310.349 3.788 20 30 DHEDRM C=CCC1(C(=O)N2CCc3cc(C(=O)[O-])ccc32)CCCCC1 ZINC001573353447 963002357 /nfs/dbraw/zinc/00/23/57/963002357.db2.gz VTFBQFLIVOADJF-UHFFFAOYSA-N -1 0 313.397 3.801 20 30 DHEDRM C=CCC1(NC(=O)c2ccc(C(=O)[O-])cc2F)CCCCC1 ZINC001573353593 963004494 /nfs/dbraw/zinc/00/44/94/963004494.db2.gz ZQPPESLCQNTFFR-UHFFFAOYSA-N -1 0 305.349 3.533 20 30 DHEDRM C=CCCC[C@H](C(=O)Nc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC001573357828 963021278 /nfs/dbraw/zinc/02/12/78/963021278.db2.gz TYZGPHIAVCUYGZ-HNNXBMFYSA-N -1 0 324.380 3.858 20 30 DHEDRM C=CCCC[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC001573365422 963053968 /nfs/dbraw/zinc/05/39/68/963053968.db2.gz GECXASPDMFOXOZ-INIZCTEOSA-N -1 0 324.380 3.607 20 30 DHEDRM C=CCCCCCN(C)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655904778 1013811546 /nfs/dbraw/zinc/81/15/46/1013811546.db2.gz NAXIQMKITPCOJW-QLFBSQMISA-N -1 0 324.465 3.510 20 30 DHEDRM CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000049135701 1013845599 /nfs/dbraw/zinc/84/55/99/1013845599.db2.gz UEISGJALFBMHHT-UHFFFAOYSA-N -1 0 307.774 3.561 20 30 DHEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000076757652 1013854892 /nfs/dbraw/zinc/85/48/92/1013854892.db2.gz BXCTZUZBGKRIRF-BXUZGUMPSA-N -1 0 309.431 3.775 20 30 DHEDRM Cc1ccc(C#N)cc1Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001210501890 1013888725 /nfs/dbraw/zinc/88/87/25/1013888725.db2.gz YZZMLFKUPLELNG-UHFFFAOYSA-N -1 0 322.773 3.510 20 30 DHEDRM CCCCCCCCCN(C)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000918397914 969644565 /nfs/dbraw/zinc/64/45/65/969644565.db2.gz QPXPDEQXGZZXBM-UHFFFAOYSA-N -1 0 306.406 3.602 20 30 DHEDRM CCCCCCCC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000317757094 970384620 /nfs/dbraw/zinc/38/46/20/970384620.db2.gz QOWCNLATJCMQIH-UHFFFAOYSA-N -1 0 303.402 3.630 20 30 DHEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000659166754 975765643 /nfs/dbraw/zinc/76/56/43/975765643.db2.gz SALKZORACVPZSX-WBVHZDCISA-N -1 0 315.413 3.569 20 30 DHEDRM C=CC[C@@H]1N(C(=O)c2ccc(C(=O)[O-])s2)CCCC1(C)C ZINC000668320836 975997224 /nfs/dbraw/zinc/99/72/24/975997224.db2.gz IBYKCWKUBWICPY-ZDUSSCGKSA-N -1 0 307.415 3.653 20 30 DHEDRM CC(C)c1cccc2c1OC/C(=C/c1cccc(C(=O)[O-])n1)C2=O ZINC001591995221 976640584 /nfs/dbraw/zinc/64/05/84/976640584.db2.gz VCPANPLXVCNKOH-XFXZXTDPSA-N -1 0 323.348 3.562 20 30 DHEDRM CC(C)n1cc(/C=C2\CCCc3cc(C(=O)[O-])ccc3C2=O)cn1 ZINC001592126829 976950549 /nfs/dbraw/zinc/95/05/49/976950549.db2.gz JATRNIYASMYHRR-OVCLIPMQSA-N -1 0 324.380 3.765 20 30 DHEDRM CC(/C=C/C(=O)c1ccc(OCC(=O)[O-])cc1)=C\c1ccccc1 ZINC001592210226 977253210 /nfs/dbraw/zinc/25/32/10/977253210.db2.gz BRGXSLUNIMRQIA-HMYPBVIVSA-N -1 0 322.360 3.992 20 30 DHEDRM Cc1cc2ccc(Cl)cc2nc1N=NC(C)CCC(=O)[O-] ZINC001592469894 978215108 /nfs/dbraw/zinc/21/51/08/978215108.db2.gz BRAVZDPKZVTHLT-UHFFFAOYSA-N -1 0 305.765 3.849 20 30 DHEDRM Cc1ccc(N=NC(C)CCCc2cccnc2)cc1C(=O)[O-] ZINC001592490300 978280153 /nfs/dbraw/zinc/28/01/53/978280153.db2.gz ANVHFAAMQHWHFF-UHFFFAOYSA-N -1 0 311.385 3.899 20 30 DHEDRM Cc1nc2ccc(C=NNc3ccccc3C(=O)[O-])cc2s1 ZINC000754916376 978696741 /nfs/dbraw/zinc/69/67/41/978696741.db2.gz DHZVENBSUPTMKS-UHFFFAOYSA-N -1 0 311.366 3.749 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1c(F)cccc1Cl ZINC000756900996 978701274 /nfs/dbraw/zinc/70/12/74/978701274.db2.gz FXGCZDSZFYJCHT-UHFFFAOYSA-N -1 0 322.723 3.632 20 30 DHEDRM CCCC(CCc1ccccc1)N=Nc1ccc(C(=O)[O-])cn1 ZINC000763370064 978721956 /nfs/dbraw/zinc/72/19/56/978721956.db2.gz ZWBHDWABAOTCAP-UHFFFAOYSA-N -1 0 311.385 3.981 20 30 DHEDRM COc1ccc2c(c1)CC/C(=C/c1cccc(C(=O)[O-])c1)C2=O ZINC000765823668 978723919 /nfs/dbraw/zinc/72/39/19/978723919.db2.gz GWHKLZJCHLTCDY-ZROIWOOFSA-N -1 0 308.333 3.606 20 30 DHEDRM C[C@]1(c2ccccc2)CCC(N=Nc2ccc(C(=O)[O-])cn2)C1 ZINC000780236043 978784657 /nfs/dbraw/zinc/78/46/57/978784657.db2.gz LVCQIZOUIXPMIY-SFHVURJKSA-N -1 0 309.369 3.690 20 30 DHEDRM Cc1c(C(=O)/C=C\c2cc(C(=O)[O-])cs2)cnn1C(C)(C)C ZINC000787187722 978795829 /nfs/dbraw/zinc/79/58/29/978795829.db2.gz ZPRHBWDFPYAHSX-WAYWQWQTSA-N -1 0 318.398 3.602 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1ccsc1Cl ZINC000790171946 978798486 /nfs/dbraw/zinc/79/84/86/978798486.db2.gz JVFYWZOYBLALSS-UHFFFAOYSA-N -1 0 310.762 3.554 20 30 DHEDRM C=CCCCS(=O)(=O)[N-]c1nc(-c2ccccc2)cs1 ZINC000427785559 1014528419 /nfs/dbraw/zinc/52/84/19/1014528419.db2.gz PWUUVFJDOVMYKD-UHFFFAOYSA-N -1 0 308.428 3.518 20 30 DHEDRM CC(N=Nc1ncnc2sccc21)[C@H](C)CCCCC(=O)[O-] ZINC000814767766 978883100 /nfs/dbraw/zinc/88/31/00/978883100.db2.gz 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/nfs/dbraw/zinc/19/80/38/981198038.db2.gz FOCYEIQPWOCIEK-GFCCVEGCSA-N -1 0 307.415 3.545 20 30 DHEDRM C=C[C@@H](CC)CC(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000907603679 981199079 /nfs/dbraw/zinc/19/90/79/981199079.db2.gz MTUUSLLVEBXWNS-SWLSCSKDSA-N -1 0 321.442 3.643 20 30 DHEDRM N#Cc1ccc(C(=O)N2CCC[C@@H]2CC2CCCCC2)cc1O ZINC000442947172 1014777015 /nfs/dbraw/zinc/77/70/15/1014777015.db2.gz RZNVWNYXIFKDJR-QGZVFWFLSA-N -1 0 312.413 3.839 20 30 DHEDRM CCCC[C@@H](Sc1cc(C)c([N+](=O)[O-])cc1C#N)C(=O)[O-] ZINC001595657817 982066918 /nfs/dbraw/zinc/06/69/18/982066918.db2.gz SRHLQXIDKDBNDQ-GFCCVEGCSA-N -1 0 308.359 3.510 20 30 DHEDRM CCCCCCCC[C@@H](C)CC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001595704666 982278098 /nfs/dbraw/zinc/27/80/98/982278098.db2.gz GGHKAKVURGWWBR-ILXRZTDVSA-N -1 0 315.429 3.787 20 30 DHEDRM CCCCCCCC[C@@H](C)C(=O)N1C2CCC1(C(=O)[O-])CC2 ZINC001595705271 982283574 /nfs/dbraw/zinc/28/35/74/982283574.db2.gz UAUFKVZZXXMGCJ-KSTDHSDQSA-N -1 0 309.450 3.981 20 30 DHEDRM CC(C)(C)C(=O)c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000443285306 1014859326 /nfs/dbraw/zinc/85/93/26/1014859326.db2.gz FDDKWNWLCKIYPK-UHFFFAOYSA-N -1 0 322.364 3.745 20 30 DHEDRM CCCOc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1C ZINC001595966620 983173691 /nfs/dbraw/zinc/17/36/91/983173691.db2.gz MFIJZRAWTWQIOY-SFHVURJKSA-N -1 0 324.380 3.893 20 30 DHEDRM C#C[C@H](NCc1ccsc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001588376164 983349913 /nfs/dbraw/zinc/34/99/13/983349913.db2.gz BQLNFDKNNIQJAJ-ZDUSSCGKSA-N -1 0 305.786 3.564 20 30 DHEDRM C#C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1F ZINC001588378347 983362264 /nfs/dbraw/zinc/36/22/64/983362264.db2.gz XGPOHXWULLKBBV-INIZCTEOSA-N -1 0 317.747 3.641 20 30 DHEDRM C=C(C)C[C@@H](NC(=O)c1cc2cccc(Cl)c2s1)C(=O)[O-] ZINC001588546271 983614589 /nfs/dbraw/zinc/61/45/89/983614589.db2.gz DBFDZTOCZCGTIP-LLVKDONJSA-N -1 0 323.801 3.704 20 30 DHEDRM CCN(C[C@H](C)C#N)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001596231016 983625814 /nfs/dbraw/zinc/62/58/14/983625814.db2.gz FYGJMYKVXSNKSF-RNCFNFMXSA-N -1 0 315.200 3.601 20 30 DHEDRM C=C(C)CCC(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588559254 983639953 /nfs/dbraw/zinc/63/99/53/983639953.db2.gz LOPXICUURDFPCJ-ZDUSSCGKSA-N -1 0 316.275 3.888 20 30 DHEDRM C=C(C)c1cccc(NC(=O)NC(CC)(CC)CC(=O)[O-])c1 ZINC001588605660 983693893 /nfs/dbraw/zinc/69/38/93/983693893.db2.gz MDIQGZSLVLLVTC-UHFFFAOYSA-N -1 0 304.390 3.875 20 30 DHEDRM C=C(CC(C)C)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001588606162 983696300 /nfs/dbraw/zinc/69/63/00/983696300.db2.gz WUBVHARHOTXBIX-UHFFFAOYSA-N -1 0 305.374 3.713 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N(Cc1ccccc1)c1ccccc1 ZINC001588612843 983704054 /nfs/dbraw/zinc/70/40/54/983704054.db2.gz YLFGEEAUCGOSGT-UHFFFAOYSA-N -1 0 309.365 3.641 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)NC(C)(C)c1ccc2ccccc2c1 ZINC001588618945 983713844 /nfs/dbraw/zinc/71/38/44/983713844.db2.gz GDCCXOIMXOCGST-UHFFFAOYSA-N -1 0 311.381 3.612 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC001588630489 983744335 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C=CCC1(C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)CCC1 ZINC001588763288 984119443 /nfs/dbraw/zinc/11/94/43/984119443.db2.gz SDJDGYIYZHXPKP-HNNXBMFYSA-N -1 0 307.434 3.520 20 30 DHEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001588770618 984135143 /nfs/dbraw/zinc/13/51/43/984135143.db2.gz BLGFWXYQSTXGJU-ABAIWWIYSA-N -1 0 320.364 3.780 20 30 DHEDRM C=CC[C@@H]1CCCN(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)C1 ZINC001588771483 984140361 /nfs/dbraw/zinc/14/03/61/984140361.db2.gz VYLFPEHOTGLFMZ-CYBMUJFWSA-N -1 0 302.374 3.513 20 30 DHEDRM C=CC[C@H]1CCN1[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001588772961 984145977 /nfs/dbraw/zinc/14/59/77/984145977.db2.gz RUQMZUMSXDVQMV-QWHCGFSZSA-N -1 0 300.185 3.770 20 30 DHEDRM C=CCC[C@H](NC(=O)c1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC001588778447 984160418 /nfs/dbraw/zinc/16/04/18/984160418.db2.gz ASNNKAAWJKPXSK-SFHVURJKSA-N -1 0 323.392 3.751 20 30 DHEDRM C=CCC[C@H](NC(=O)c1oc(C(=O)[O-])cc1C)c1ccccc1 ZINC001588778506 984160823 /nfs/dbraw/zinc/16/08/23/984160823.db2.gz 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ZINC001588817881 984277788 /nfs/dbraw/zinc/27/77/88/984277788.db2.gz XSRYNPWAVRIIBB-SHTZXODSSA-N -1 0 301.386 3.635 20 30 DHEDRM C=CCN(Cc1ccccc1F)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001588831589 984314969 /nfs/dbraw/zinc/31/49/69/984314969.db2.gz CIWBFHWJSMFUDI-GFCCVEGCSA-N -1 0 303.333 3.866 20 30 DHEDRM C=CCOc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC001588875110 984451230 /nfs/dbraw/zinc/45/12/30/984451230.db2.gz WIEKFOOFUMZBIO-YVMONPNESA-N -1 0 314.362 3.907 20 30 DHEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H](C)[C@H](C)CC ZINC001588882457 984463059 /nfs/dbraw/zinc/46/30/59/984463059.db2.gz UMZUPSUJMIODBE-NEPJUHHUSA-N -1 0 320.385 3.710 20 30 DHEDRM C=CCc1cccc(C(C)C)c1NC(=O)CCSCC(=O)[O-] ZINC001588886197 984471051 /nfs/dbraw/zinc/47/10/51/984471051.db2.gz FAZQIIMBJGHIFQ-UHFFFAOYSA-N -1 0 321.442 3.685 20 30 DHEDRM C=CCn1c2ccccc2nc1S[C@@H](C(=O)[O-])[C@H](C)CC ZINC001588905652 984537707 /nfs/dbraw/zinc/53/77/07/984537707.db2.gz ZXZQYBZAPDCGJT-BXUZGUMPSA-N -1 0 304.415 3.814 20 30 DHEDRM C/C(=C\C(=O)[O-])CSc1ccc(C#N)c(C(F)(F)F)c1 ZINC001588952387 984686022 /nfs/dbraw/zinc/68/60/22/984686022.db2.gz PLVXNIJPMKAAOY-XBXARRHUSA-N -1 0 301.289 3.700 20 30 DHEDRM O=C1c2ccc(F)cc2OCC/C1=C\c1cc(F)c([O-])c(F)c1 ZINC000588419439 1015083497 /nfs/dbraw/zinc/08/34/97/1015083497.db2.gz KRIKOOSUGUXNOQ-BJMVGYQFSA-N -1 0 320.266 3.858 20 30 DHEDRM CC(=NNc1cccc(F)c1C(=O)[O-])c1cccc(F)c1F ZINC001589017429 985004104 /nfs/dbraw/zinc/00/41/04/985004104.db2.gz NWMNUMYHIPVTNO-UHFFFAOYSA-N -1 0 308.259 3.638 20 30 DHEDRM C=CCCC[C@H](C(=O)[N-]OCc1ccccn1)c1ccccc1 ZINC000909519336 1015092023 /nfs/dbraw/zinc/09/20/23/1015092023.db2.gz HIHRMXAHKKIANR-SFHVURJKSA-N -1 0 310.397 3.770 20 30 DHEDRM O=C([O-])c1cc(C(=O)/C=C\c2cccc3cnccc23)cs1 ZINC000588423158 1015178319 /nfs/dbraw/zinc/17/83/19/1015178319.db2.gz HYBZXWCDSUTHID-PLNGDYQASA-N -1 0 309.346 3.891 20 30 DHEDRM Cc1c(C(=O)/C=C\c2cccc(C(=O)[O-])c2)cnn1C(C)(C)C ZINC001599974483 986066288 /nfs/dbraw/zinc/06/62/88/986066288.db2.gz DZPZVRQHVVHJKU-HJWRWDBZSA-N -1 0 312.369 3.541 20 30 DHEDRM CCC[C@@H](C#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843569557 1015189842 /nfs/dbraw/zinc/18/98/42/1015189842.db2.gz DKCXXQKGRMLOKS-QMMMGPOBSA-N -1 0 321.154 3.894 20 30 DHEDRM C[C@H](C#N)CN(Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)C1CC1 ZINC001589330443 986172110 /nfs/dbraw/zinc/17/21/10/986172110.db2.gz FLAAOJDPOAXLJL-CYBMUJFWSA-N -1 0 324.380 3.769 20 30 DHEDRM CCc1ccsc1C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000077880483 1015214789 /nfs/dbraw/zinc/21/47/89/1015214789.db2.gz VLLUEMAPZSBNQX-NSHDSACASA-N -1 0 323.439 3.706 20 30 DHEDRM Cc1ccc(C)c(C(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)c1 ZINC000077881061 1015214924 /nfs/dbraw/zinc/21/49/24/1015214924.db2.gz SWRVHTHTSZNYIO-AWEZNQCLSA-N -1 0 317.410 3.699 20 30 DHEDRM CCOc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)cc1F ZINC001597081119 986622787 /nfs/dbraw/zinc/62/27/87/986622787.db2.gz AEOADXWBBKHFOP-YCRREMRBSA-N -1 0 314.312 3.819 20 30 DHEDRM CCOc1ccc(O)c(/C=N/[C@@H](CC2CCCCC2)C(=O)[O-])c1 ZINC001597130862 986853929 /nfs/dbraw/zinc/85/39/29/986853929.db2.gz YHIZIANNDSDTSP-QUYZQLMHSA-N -1 0 319.401 3.633 20 30 DHEDRM CC(C)(C#N)CC(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC001589554075 987297854 /nfs/dbraw/zinc/29/78/54/987297854.db2.gz ULJDUKPIDKCNEY-UHFFFAOYSA-N -1 0 317.366 3.583 20 30 DHEDRM CCSc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC001597271202 987317793 /nfs/dbraw/zinc/31/77/93/987317793.db2.gz ZNFNNOGLVHYBTD-YVMONPNESA-N -1 0 302.351 3.986 20 30 DHEDRM CC(C)(C)c1ccc(C#N)c(NCC2(CC(=O)[O-])CCCC2)n1 ZINC001590472732 990045501 /nfs/dbraw/zinc/04/55/01/990045501.db2.gz WHUKPQMQCCMSDO-UHFFFAOYSA-N -1 0 315.417 3.698 20 30 DHEDRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000329265099 1015672076 /nfs/dbraw/zinc/67/20/76/1015672076.db2.gz CEEDJLNMMPMYCH-NYRNMGCKSA-N -1 0 302.157 3.712 20 30 DHEDRM CSC(C)(C)CCN=Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599782288 992380678 /nfs/dbraw/zinc/38/06/78/992380678.db2.gz UZTZTMQLHRPXBJ-UHFFFAOYSA-N -1 0 300.811 3.968 20 30 DHEDRM Cc1nc(C2CC2)oc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000329526711 1015728850 /nfs/dbraw/zinc/72/88/50/1015728850.db2.gz RQIZTGIPZNQVCL-NSHDSACASA-N -1 0 315.398 3.930 20 30 DHEDRM C[C@@H](NN=C1CCC[C@@H](CCCC(=O)[O-])C1)c1ccncc1 ZINC001593319619 994848426 /nfs/dbraw/zinc/84/84/26/994848426.db2.gz QUNYQSULNVIVKH-KGLIPLIRSA-N -1 0 303.406 3.533 20 30 DHEDRM C[C@H](NC(=O)c1cc(F)cc(Cl)c1[O-])c1cccc(C#N)c1 ZINC000610882504 1015910174 /nfs/dbraw/zinc/91/01/74/1015910174.db2.gz GNHPNAUVKXTIBR-VIFPVBQESA-N -1 0 318.735 3.547 20 30 DHEDRM CCO[C@H](CC/N=C/c1cc([N+](=O)[O-])ccc1[O-])C1CCCC1 ZINC000176323171 1016012034 /nfs/dbraw/zinc/01/20/34/1016012034.db2.gz UQPUSPZRZXVKGU-YPOUMIDOSA-N -1 0 320.389 3.705 20 30 DHEDRM CC(C)(C(=O)[O-])c1ccc(NC2CCC(C)(C#N)CC2)cc1 ZINC001593740804 996358943 /nfs/dbraw/zinc/35/89/43/996358943.db2.gz VVLFDLWOCUNWPR-UHFFFAOYSA-N -1 0 300.402 3.933 20 30 DHEDRM CC(N=Nc1ccc(C(F)(F)F)cn1)c1ccc(O)c(F)c1 ZINC000728427331 1016072926 /nfs/dbraw/zinc/07/29/26/1016072926.db2.gz NPSYZHCZFXOHGL-UHFFFAOYSA-N -1 0 313.254 3.781 20 30 DHEDRM COc1ccc(CNc2cc(Cl)cc(C(=O)[O-])c2)cc1C#N ZINC001599573605 998406591 /nfs/dbraw/zinc/40/65/91/998406591.db2.gz GYKGHFNKXMPKBU-UHFFFAOYSA-N -1 0 316.744 3.531 20 30 DHEDRM CO[C@@H](C(=O)[O-])c1ccccc1OCCC1(C#N)CCCCC1 ZINC001599025568 999014052 /nfs/dbraw/zinc/01/40/52/999014052.db2.gz AGUNQBIEDVLIQZ-MRXNPFEDSA-N -1 0 317.385 3.702 20 30 DHEDRM CCCc1occc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000342628387 1016881959 /nfs/dbraw/zinc/88/19/59/1016881959.db2.gz CVCLUALSSMVNSK-CYBMUJFWSA-N -1 0 307.353 3.609 20 30 DHEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000080250453 1032296609 /nfs/dbraw/zinc/29/66/09/1032296609.db2.gz UTWGZKVFTFIEDQ-TZMCWYRMSA-N -1 0 309.431 3.857 20 30 DHEDRM O=C(C=Cc1ccc([N+](=O)[O-])cc1Cl)c1sccc1[O-] ZINC000773151582 1032581026 /nfs/dbraw/zinc/58/10/26/1032581026.db2.gz XAFIDYUVQMTCEC-DUXPYHPUSA-N -1 0 309.730 3.911 20 30 DHEDRM O=C(C=Cc1cnc(-c2ccncc2)s1)c1sccc1[O-] ZINC000773147984 1032576675 /nfs/dbraw/zinc/57/66/75/1032576675.db2.gz FWQWQBRJWHZGNZ-OWOJBTEDSA-N -1 0 314.391 3.868 20 30 DHEDRM O=C(C=Cc1cccs1)[N-]S(=O)(=O)CC1CCCCC1 ZINC000049514173 1011960729 /nfs/dbraw/zinc/96/07/29/1011960729.db2.gz DLUCRYSYPAIZNM-CMDGGOBGSA-N -1 0 313.444 3.628 20 30 DHEDRM Cc1ccc(C#N)cc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC001625782857 1012113126 /nfs/dbraw/zinc/11/31/26/1012113126.db2.gz KUWZSRXSQGWNTN-UHFFFAOYSA-N -1 0 304.708 3.617 20 30 DHEDRM O=C(/C=C\c1c(Cl)nc2sccn12)c1ccc(F)cc1[O-] ZINC000254944407 1012539216 /nfs/dbraw/zinc/53/92/16/1012539216.db2.gz KQFNEOVWDGBWBX-ARJAWSKDSA-N -1 0 322.748 3.790 20 30 DHEDRM O=C(/C=C\c1ccc(OC(F)F)c(F)c1)c1ccc(O)cc1[O-] ZINC000254968364 1012599700 /nfs/dbraw/zinc/59/97/00/1012599700.db2.gz CZTSKAHAKLKBMJ-KTAJNNJTSA-N -1 0 324.254 3.734 20 30 DHEDRM C[C@H](C#N)CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000178462497 1017175798 /nfs/dbraw/zinc/17/57/98/1017175798.db2.gz XFRFCZWPXLYBGW-LLVKDONJSA-N -1 0 314.772 3.602 20 30 DHEDRM CNC(=O)c1cccc(N=Cc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000255539884 1017491397 /nfs/dbraw/zinc/49/13/97/1017491397.db2.gz NBMYZIJIOPCHTK-UHFFFAOYSA-N -1 0 323.179 3.809 20 30 DHEDRM CC(C)c1nc(C([O-])=C(C#N)c2nc3ccccc3o2)cs1 ZINC000171146579 1017976131 /nfs/dbraw/zinc/97/61/31/1017976131.db2.gz OMBDNXBHEVRSNQ-SNVBAGLBSA-N -1 0 311.366 3.898 20 30 DHEDRM COc1ccsc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000358408985 1018110044 /nfs/dbraw/zinc/11/00/44/1018110044.db2.gz VPWHKBVJIWZZIO-SECBINFHSA-N -1 0 314.391 3.856 20 30 DHEDRM Cc1ccncc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000676103914 1018665177 /nfs/dbraw/zinc/66/51/77/1018665177.db2.gz MBZFLEMBOZYGNG-LLVKDONJSA-N -1 0 311.341 3.629 20 30 DHEDRM N#Cc1ccc([O-])c(NC(=O)CCc2ccc(Cl)s2)c1 ZINC000176829133 1019134857 /nfs/dbraw/zinc/13/48/57/1019134857.db2.gz MALIKXNSUWTKQE-UHFFFAOYSA-N -1 0 306.774 3.550 20 30 DHEDRM N#C[C@H](C(=O)c1occ2c1CCC2)c1ccc2ccccc2n1 ZINC000671746113 1019904154 /nfs/dbraw/zinc/90/41/54/1019904154.db2.gz MHQIIGLNJSDYIE-HNNXBMFYSA-N -1 0 302.333 3.807 20 30 DHEDRM O=C([O-])c1ccc(C(=O)/C=C\c2ccc3ncccc3c2)s1 ZINC000730590858 1020006824 /nfs/dbraw/zinc/00/68/24/1020006824.db2.gz VHCQXZPFXVZNFO-XQRVVYSFSA-N -1 0 309.346 3.891 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\CCCc2c[nH]c3ccccc23)c1 ZINC000730733301 1020018232 /nfs/dbraw/zinc/01/82/32/1020018232.db2.gz WQXWLQURBFIGIX-ODLFYWEKSA-N -1 0 323.352 3.833 20 30 DHEDRM Cc1cc(C(=O)[O-])ccc1Nc1ccc(C#N)c2ncccc12 ZINC001211629100 1020160031 /nfs/dbraw/zinc/16/00/31/1020160031.db2.gz XTIZSGRCNYSIEM-UHFFFAOYSA-N -1 0 303.321 3.857 20 30 DHEDRM CC(C)Cn1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)n1 ZINC000892425228 1020209037 /nfs/dbraw/zinc/20/90/37/1020209037.db2.gz WFMMMQASCYQLFJ-LBPRGKRZSA-N -1 0 324.409 3.639 20 30 DHEDRM CSc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)o1 ZINC000647377951 1020258448 /nfs/dbraw/zinc/25/84/48/1020258448.db2.gz CTUGXFHJLCWNCK-VIFPVBQESA-N -1 0 304.396 3.825 20 30 DHEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\CC2CCSCC2)c1[O-] ZINC000733205012 1020343745 /nfs/dbraw/zinc/34/37/45/1020343745.db2.gz HESPEWASKMPFCL-NVNXTCNLSA-N -1 0 314.794 3.516 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/CCc2ccc(F)cc2Cl)c1 ZINC000733205561 1020345517 /nfs/dbraw/zinc/34/55/17/1020345517.db2.gz ZNDGORHKLLEZSO-GIJQJNRQSA-N -1 0 322.723 3.755 20 30 DHEDRM CC(C)(C)c1ccc(N=NCc2ccc(O)c(Cl)c2)nn1 ZINC001116087864 1020351678 /nfs/dbraw/zinc/35/16/78/1020351678.db2.gz NVKDZFNFWBHZTE-UHFFFAOYSA-N -1 0 304.781 3.579 20 30 DHEDRM Cc1cccc2c1OC/C(=C\c1cc(F)c([O-])c(F)c1)C2=O ZINC000749891404 1020370236 /nfs/dbraw/zinc/37/02/36/1020370236.db2.gz JIALBKWZCYDESI-VZUCSPMQSA-N -1 0 302.276 3.638 20 30 DHEDRM Cc1cc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc(C)c1O ZINC000255838487 1020423793 /nfs/dbraw/zinc/42/37/93/1020423793.db2.gz BJEGOORHXKVYKG-HYXAFXHYSA-N -1 0 313.309 3.519 20 30 DHEDRM CC[C@H](Sc1ccccc1)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000179728939 1020439589 /nfs/dbraw/zinc/43/95/89/1020439589.db2.gz YLRPGZOHPQGCAH-INIZCTEOSA-N -1 0 312.394 3.773 20 30 DHEDRM O=C([O-])c1cccc(NN=Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000013140084 1020483057 /nfs/dbraw/zinc/48/30/57/1020483057.db2.gz NUHLAYHIDANNAI-UHFFFAOYSA-N -1 0 324.258 3.729 20 30 DHEDRM CCOc1cccc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000749590496 1020522517 /nfs/dbraw/zinc/52/25/17/1020522517.db2.gz QRRQHCVSSHWGRN-VURMDHGXSA-N -1 0 313.309 3.595 20 30 DHEDRM N#Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2F)ccc1Cl ZINC001212514103 1020585134 /nfs/dbraw/zinc/58/51/34/1020585134.db2.gz BUVKKLKHPIWOHC-UHFFFAOYSA-N -1 0 308.671 3.932 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H](Cc2ccccc2)C2CC2)c1 ZINC000736430744 1020816957 /nfs/dbraw/zinc/81/69/57/1020816957.db2.gz GMMQJIIPEOATLC-DAQNXSASSA-N -1 0 310.353 3.741 20 30 DHEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2nccc3ccccc32)cc1 ZINC000738620439 1020881015 /nfs/dbraw/zinc/88/10/15/1020881015.db2.gz PZOASEFDEAJBNN-KTKRTIGZSA-N -1 0 317.344 3.758 20 30 DHEDRM Cn1c(C([O-])=C(C#N)c2nc3ccccc3o2)cc2ccccc21 ZINC000066516582 1020902360 /nfs/dbraw/zinc/90/23/60/1020902360.db2.gz QMKFSHXTUZCCTA-CYBMUJFWSA-N -1 0 315.332 3.810 20 30 DHEDRM N#Cc1cc(NC(=O)Nc2cccc(Cl)c2)c([O-])cc1F ZINC001202247562 1021195125 /nfs/dbraw/zinc/19/51/25/1021195125.db2.gz BOJKBKLUGLXQLN-UHFFFAOYSA-N -1 0 305.696 3.700 20 30 DHEDRM O=C([O-])c1ccc(C(=O)/C=C\c2nc3c(s2)CCCC3)s1 ZINC000776266859 1021197035 /nfs/dbraw/zinc/19/70/35/1021197035.db2.gz UBUCCJDCNKXLSK-YVMONPNESA-N -1 0 319.407 3.678 20 30 DHEDRM C=CCN(CCc1ccccc1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000177122930 1021216390 /nfs/dbraw/zinc/21/63/90/1021216390.db2.gz SBGMPUVDYCAVNC-UHFFFAOYSA-N -1 0 317.335 3.541 20 30 DHEDRM CCc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)oc1CC ZINC000128574734 1021291060 /nfs/dbraw/zinc/29/10/60/1021291060.db2.gz CSISNBKOYWGAGF-GFCCVEGCSA-N -1 0 307.353 3.771 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2cncc3[nH]ccc32)n1 ZINC000892803219 1021626675 /nfs/dbraw/zinc/62/66/75/1021626675.db2.gz QENZZWAHQNFDKJ-NSHDSACASA-N -1 0 310.382 3.633 20 30 DHEDRM CC(C)c1cccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1 ZINC000850757448 1021641879 /nfs/dbraw/zinc/64/18/79/1021641879.db2.gz KNYOTGAYYIONCM-QGZVFWFLSA-N -1 0 312.413 3.581 20 30 DHEDRM N#CC(=C([O-])c1csc(C2CC2)n1)c1nc2ccccc2o1 ZINC000194990685 1021827489 /nfs/dbraw/zinc/82/74/89/1021827489.db2.gz IXFZTBDSIRHDGY-JTQLQIEISA-N -1 0 309.350 3.652 20 30 DHEDRM CCCCCCCC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000851617923 1021952606 /nfs/dbraw/zinc/95/26/06/1021952606.db2.gz GGRLSSIYLYCJOJ-OWCLPIDISA-N -1 0 309.450 3.839 20 30 DHEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1cc(C)sc1C ZINC000746431146 1022082494 /nfs/dbraw/zinc/08/24/94/1022082494.db2.gz CWLYWKPLCKHZBQ-UHFFFAOYSA-N -1 0 317.476 3.530 20 30 DHEDRM O=C([O-])c1cc(N=NCC2Cc3ccccc3C2)ccc1Cl ZINC000766429835 1022111944 /nfs/dbraw/zinc/11/19/44/1022111944.db2.gz KBJRIULJRJZQIW-UHFFFAOYSA-N -1 0 314.772 3.851 20 30 DHEDRM CC(C)Oc1cccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000921268852 1022239837 /nfs/dbraw/zinc/23/98/37/1022239837.db2.gz FIQCZACGGRBLOG-DHZHZOJOSA-N -1 0 324.376 3.997 20 30 DHEDRM C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1cccc(F)c1F ZINC000766670202 1022368884 /nfs/dbraw/zinc/36/88/84/1022368884.db2.gz CPXMTGWLUNKCSG-ZBPACCJBSA-N -1 0 306.268 3.759 20 30 DHEDRM C=CCCCCCCCCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000854474037 1022478484 /nfs/dbraw/zinc/47/84/84/1022478484.db2.gz JBQSYVPBHRDBPQ-UHFFFAOYSA-N -1 0 317.389 3.575 20 30 DHEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)C2CC2)cc1 ZINC000068335887 1022603626 /nfs/dbraw/zinc/60/36/26/1022603626.db2.gz BQVOVQZLZUFCRS-LBPRGKRZSA-N -1 0 309.431 3.721 20 30 DHEDRM C=CCCO[N-]C(=O)Cc1csc(-c2ccc(CC)cc2)n1 ZINC000856032050 1022740112 /nfs/dbraw/zinc/74/01/12/1022740112.db2.gz IQORVAXNEQRTFH-UHFFFAOYSA-N -1 0 316.426 3.539 20 30 DHEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\[C@@H]2CCCC(F)(F)C2)c1[O-] ZINC000767690609 1022782700 /nfs/dbraw/zinc/78/27/00/1022782700.db2.gz RTTKJFONZWGZCK-FBVSVWLOSA-N -1 0 318.707 3.951 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1CC12CCC2 ZINC000759813118 1023041320 /nfs/dbraw/zinc/04/13/20/1023041320.db2.gz FEMMEFTXEIZJME-KBPBESRZSA-N -1 0 306.365 3.558 20 30 DHEDRM Cn1cc(/C=C/C(=O)c2ccccc2[O-])c(-c2cccs2)n1 ZINC000769610032 1023187185 /nfs/dbraw/zinc/18/71/85/1023187185.db2.gz MOMUWQUZMIWOIC-CMDGGOBGSA-N -1 0 310.378 3.750 20 30 DHEDRM COc1cccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1F ZINC000769717812 1023200097 /nfs/dbraw/zinc/20/00/97/1023200097.db2.gz CIAKOHHSMWWPMM-UHFFFAOYSA-N -1 0 324.695 3.852 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1N=NC1CC[C@@H]1c1ccccc1 ZINC000769800600 1023217438 /nfs/dbraw/zinc/21/74/38/1023217438.db2.gz YWXSRXHAQFOPLS-CQSZACIVSA-N -1 0 310.353 3.739 20 30 DHEDRM C[C@@H]1C[C@@H](C/N=C/c2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000770568804 1023324784 /nfs/dbraw/zinc/32/47/84/1023324784.db2.gz ODMYSHZUJHUHJP-BNDNKLTHSA-N -1 0 302.201 3.933 20 30 DHEDRM C=CC[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccncc1 ZINC000772285185 1023541057 /nfs/dbraw/zinc/54/10/57/1023541057.db2.gz UGYQXYDSUDNCGE-AWEZNQCLSA-N -1 0 320.751 3.627 20 30 DHEDRM O=C([N-]C12CCC(C(F)(F)F)(CC1)CC2)C(F)(F)C(F)F ZINC000785693375 1023605607 /nfs/dbraw/zinc/60/56/07/1023605607.db2.gz KTTVJWDHNSJILT-UHFFFAOYSA-N -1 0 321.236 3.658 20 30 DHEDRM CC(C)[C@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(F)(F)F ZINC000787141246 1023763000 /nfs/dbraw/zinc/76/30/00/1023763000.db2.gz KZYYERLRFHZXGG-INVHCZKESA-N -1 0 324.686 3.960 20 30 DHEDRM CCCCCCCS(=O)(=O)[N-][C@H]([C@H](C)CC)C(F)(F)F ZINC001211677801 1023818176 /nfs/dbraw/zinc/81/81/76/1023818176.db2.gz RKFRQSWDBGALFA-VXGBXAGGSA-N -1 0 317.417 3.853 20 30 DHEDRM O=C(/C=C\c1ncc(C(F)(F)F)s1)c1ccc(F)cc1[O-] ZINC000788356442 1023875850 /nfs/dbraw/zinc/87/58/50/1023875850.db2.gz TWWRDMKMDJFZNZ-ARJAWSKDSA-N -1 0 317.263 3.903 20 30 DHEDRM CC(=NNc1cc(F)c(F)cc1F)c1cc(C(=O)[O-])ccc1C ZINC000788427418 1023880294 /nfs/dbraw/zinc/88/02/94/1023880294.db2.gz ACRFDXRRBNBKRR-UHFFFAOYSA-N -1 0 322.286 3.947 20 30 DHEDRM Cc1ccc2nc(/C=C\C(=O)c3ccc([O-])c(Cl)c3)cn2c1 ZINC000789147218 1024006336 /nfs/dbraw/zinc/00/63/36/1024006336.db2.gz GSKQNQWIRQYPRS-XQRVVYSFSA-N -1 0 312.756 3.898 20 30 DHEDRM C[C@H](CC#N)Sc1ccccc1[N-]C(=S)NC1(C)CC1 ZINC000789232192 1024034001 /nfs/dbraw/zinc/03/40/01/1024034001.db2.gz LMNKLRURSYTVEC-LLVKDONJSA-N -1 0 305.472 3.920 20 30 DHEDRM O=C([O-])c1ccc(C(=O)/C=C\c2ccccc2OC(F)F)s1 ZINC000213227219 1024151393 /nfs/dbraw/zinc/15/13/93/1024151393.db2.gz NPKAJBUZKGGKOZ-WAYWQWQTSA-N -1 0 324.304 3.944 20 30 DHEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccsc1 ZINC000125810629 1024220326 /nfs/dbraw/zinc/22/03/26/1024220326.db2.gz VPNDADISYXNUQW-ZDUSSCGKSA-N -1 0 308.362 3.743 20 30 DHEDRM COC1(CN=Nc2ccc(Cl)c(C(=O)[O-])c2)CCCCC1 ZINC000790141935 1024227276 /nfs/dbraw/zinc/22/72/76/1024227276.db2.gz YZSSKPVKIOEHQE-UHFFFAOYSA-N -1 0 310.781 3.785 20 30 DHEDRM O=C(/C=C/c1nccn1-c1ccccc1)c1ccc(F)cc1[O-] ZINC000790221830 1024255067 /nfs/dbraw/zinc/25/50/67/1024255067.db2.gz IADVSGCTRMQFJC-CMDGGOBGSA-N -1 0 308.312 3.613 20 30 DHEDRM O=C(/C=C/c1ccnn1-c1ccccc1)c1ccc([O-])c(F)c1 ZINC000790599732 1024333968 /nfs/dbraw/zinc/33/39/68/1024333968.db2.gz CHRZDAHQSHIUOX-VQHVLOKHSA-N -1 0 308.312 3.613 20 30 DHEDRM O=C(/C=C/c1cc(-n2ccnc2)cs1)c1ccc([O-])c(F)c1 ZINC000783708143 1024685447 /nfs/dbraw/zinc/68/54/47/1024685447.db2.gz VATVMCKMTVJVOO-DUXPYHPUSA-N -1 0 314.341 3.675 20 30 DHEDRM O=C1c2ccsc2CC/C1=C\c1cc([O-])ccc1[N+](=O)[O-] ZINC000772808667 1024737113 /nfs/dbraw/zinc/73/71/13/1024737113.db2.gz VMWPEIHYIKNWML-VQHVLOKHSA-N -1 0 301.323 3.574 20 30 DHEDRM O=C([O-])c1ccc(NN=Cc2cc(F)cc3cccnc23)cc1 ZINC000760219219 1024754173 /nfs/dbraw/zinc/75/41/73/1024754173.db2.gz UDMFEKWAYWYCEL-UHFFFAOYSA-N -1 0 309.300 3.518 20 30 DHEDRM CCC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(C(=O)[O-])cc1 ZINC000760224973 1024764659 /nfs/dbraw/zinc/76/46/59/1024764659.db2.gz GQWSCFZLJJKFFL-UHFFFAOYSA-N -1 0 313.313 3.519 20 30 DHEDRM N#Cc1ccc(NC(=O)CCCCC(=O)c2ccccc2)c(O)c1 ZINC001143530101 1024828290 /nfs/dbraw/zinc/82/82/90/1024828290.db2.gz VSAFNMYEYNHHNF-UHFFFAOYSA-N -1 0 322.364 3.646 20 30 DHEDRM CC[C@H](C)n1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1C ZINC000350915679 1024863588 /nfs/dbraw/zinc/86/35/88/1024863588.db2.gz AXIASOFLPQTGBO-AAEUAGOBSA-N -1 0 321.384 3.529 20 30 DHEDRM CCC(N=Nc1cccc(Cl)n1)c1ccc(C(=O)[O-])cc1 ZINC000793173494 1024922120 /nfs/dbraw/zinc/92/21/20/1024922120.db2.gz AMCFOZSSOMLADC-UHFFFAOYSA-N -1 0 303.749 3.659 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2c(C)onc2-c2ccccc2)n1 ZINC000041521714 1025408377 /nfs/dbraw/zinc/40/83/77/1025408377.db2.gz BFULRAOETFOVPK-ZDUSSCGKSA-N -1 0 323.377 3.905 20 30 DHEDRM CC(C)c1cc(C([O-])=C(C#N)c2ccncn2)c2ccccc2n1 ZINC000354394863 1025420047 /nfs/dbraw/zinc/42/00/47/1025420047.db2.gz DFCGJJKIIFZGEE-OAHLLOKOSA-N -1 0 316.364 3.638 20 30 DHEDRM CCCCCCCC(=O)N[C@H](CC(=O)[O-])c1ccccc1C ZINC000236841541 1025428035 /nfs/dbraw/zinc/42/80/35/1025428035.db2.gz NXZLULGIOQNJRP-MRXNPFEDSA-N -1 0 305.418 3.988 20 30 DHEDRM N#CC(=C([O-])c1ccccc1-c1ccccc1C#N)c1ccncn1 ZINC000354475037 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O=C(C[C@@H]1CCCc2ccccc21)[N-]S(=O)(=O)C1CCCC1 ZINC000086054486 1026187286 /nfs/dbraw/zinc/18/72/86/1026187286.db2.gz PCAJJSDBFAEPFP-AWEZNQCLSA-N -1 0 321.442 3.726 20 30 DHEDRM O=C(C=Cc1ccccc1Cl)[N-]S(=O)(=O)C1CCCC1 ZINC000086055635 1026192596 /nfs/dbraw/zinc/19/25/96/1026192596.db2.gz KGDCUZMKSVFBEM-MDZDMXLPSA-N -1 0 313.806 3.582 20 30 DHEDRM COC(=O)c1ccc(-c2cc(F)c([O-])c(Cl)c2)cc1C#N ZINC001244499053 1026667009 /nfs/dbraw/zinc/66/70/09/1026667009.db2.gz CCTUYKBJSXBVML-UHFFFAOYSA-N -1 0 305.692 3.510 20 30 DHEDRM C#CCCN(Cc1cc(Cl)cc(F)c1[O-])CC(F)(F)F ZINC000768534400 1026737615 /nfs/dbraw/zinc/73/76/15/1026737615.db2.gz OPCRCAXLZACUFH-UHFFFAOYSA-N -1 0 309.690 3.572 20 30 DHEDRM O=C([O-])Cc1ccc(C(=O)/C=C/C=C\c2ccc(F)cc2)cc1 ZINC000747697180 1026975917 /nfs/dbraw/zinc/97/59/17/1026975917.db2.gz VRMNAAMCMWAQDI-HSFFGMMNSA-N -1 0 310.324 3.905 20 30 DHEDRM O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1coc2ccccc12 ZINC000747705062 1026987799 /nfs/dbraw/zinc/98/77/99/1026987799.db2.gz KJXQKMMUTFVHFT-VMPITWQZSA-N -1 0 309.277 3.943 20 30 DHEDRM N#Cc1c(F)cccc1/C=C/C(=O)c1cc(F)cc(F)c1[O-] ZINC000811693928 1027068935 /nfs/dbraw/zinc/06/89/35/1027068935.db2.gz QSJAKBNPQHIBDP-SNAWJCMRSA-N -1 0 303.239 3.577 20 30 DHEDRM COc1ccc(CCC(C)N=Nc2ccccc2C(=O)[O-])cc1 ZINC000812444358 1027284097 /nfs/dbraw/zinc/28/40/97/1027284097.db2.gz DTCDKVWWVDWENJ-UHFFFAOYSA-N -1 0 312.369 3.814 20 30 DHEDRM N#Cc1cc(F)cc(F)c1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203333202 1027419824 /nfs/dbraw/zinc/41/98/24/1027419824.db2.gz ZYTPLLHTFHTSGN-UHFFFAOYSA-N -1 0 310.206 3.556 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])C=Cc2ccc(Cl)cc2)n1 ZINC000047358178 1027597896 /nfs/dbraw/zinc/59/78/96/1027597896.db2.gz GOWRIKIUEOLFDC-WXJAXGNASA-N -1 0 302.786 3.995 20 30 DHEDRM Cc1ccc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)cc1C#N ZINC000600672521 1027780604 /nfs/dbraw/zinc/78/06/04/1027780604.db2.gz MZGYATVLLNDQQW-UHFFFAOYSA-N -1 0 322.412 3.571 20 30 DHEDRM Cn1nccc1-c1ccccc1/C=C/C(=O)c1ccccc1[O-] ZINC000814190157 1027945319 /nfs/dbraw/zinc/94/53/19/1027945319.db2.gz OQSGMFKJBRDVOS-ZHACJKMWSA-N -1 0 304.349 3.689 20 30 DHEDRM CC[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000048409124 1028048075 /nfs/dbraw/zinc/04/80/75/1028048075.db2.gz BEJGUNXGFQKNGB-ZETCQYMHSA-N -1 0 310.202 3.685 20 30 DHEDRM C[C@@H]1CC(N=Nc2nc3ccccc3s2)CC[C@H]1C(=O)[O-] ZINC000814685838 1028153576 /nfs/dbraw/zinc/15/35/76/1028153576.db2.gz WZGBICGOYOWWGE-MWLCHTKSSA-N -1 0 303.387 3.585 20 30 DHEDRM CCC(=[NH+][N-]c1cccc(C(=O)[O-])c1)c1ccc(Cl)c(N)c1 ZINC000814687917 1028167658 /nfs/dbraw/zinc/16/76/58/1028167658.db2.gz XXJPBLNUZZIJMA-UHFFFAOYSA-N -1 0 317.776 3.847 20 30 DHEDRM N#Cc1ccc([O-])c(NC(=O)c2cc(C3CC3)oc2C2CC2)c1 ZINC000935109490 1028201369 /nfs/dbraw/zinc/20/13/69/1028201369.db2.gz YFAATJYVEBPGEO-UHFFFAOYSA-N -1 0 308.337 3.864 20 30 DHEDRM COc1cccc(N=NC(C)[C@@H]2C[C@H](CC(=O)[O-])C2(C)C)c1 ZINC000814777653 1028204473 /nfs/dbraw/zinc/20/44/73/1028204473.db2.gz VYSOUWVJVHISMD-DOMZBBRYSA-N -1 0 304.390 3.620 20 30 DHEDRM CC(=NNc1cccc(F)c1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814815252 1028222816 /nfs/dbraw/zinc/22/28/16/1028222816.db2.gz RJPOABMVRYCZJP-GFCCVEGCSA-N -1 0 316.332 3.514 20 30 DHEDRM C[C@H](NN=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@H]1C)c1ccccc1 ZINC000814815434 1028223707 /nfs/dbraw/zinc/22/37/07/1028223707.db2.gz XMDLELFMKQCGSQ-YDHLFZDLSA-N -1 0 302.418 3.850 20 30 DHEDRM CC(=NNc1nccc2sccc21)c1csc(C(=O)[O-])c1 ZINC000814808559 1028232535 /nfs/dbraw/zinc/23/25/35/1028232535.db2.gz BWLLJISFASDTRY-UHFFFAOYSA-N -1 0 317.395 3.892 20 30 DHEDRM CC(=NNCCCc1ccccc1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814837760 1028239331 /nfs/dbraw/zinc/23/93/31/1028239331.db2.gz JRGSUUWIDOPRJG-SJORKVTESA-N -1 0 316.445 3.722 20 30 DHEDRM Oc1cccc(C=NNc2cc(F)c(F)cc2F)c1Cl ZINC000814849737 1028244669 /nfs/dbraw/zinc/24/46/69/1028244669.db2.gz IDBPGUMNIUXVTH-UHFFFAOYSA-N -1 0 300.667 3.909 20 30 DHEDRM Cc1cc(C)c(C(=O)[O-])cc1C=NNc1cc(F)c(F)c(F)c1 ZINC000814863778 1028249542 /nfs/dbraw/zinc/24/95/42/1028249542.db2.gz BWJPLHWRXGXDFU-UHFFFAOYSA-N -1 0 322.286 3.865 20 30 DHEDRM CC(=NOC1CCCC1)c1cccc(OCCCC(=O)[O-])c1 ZINC000814893821 1028264928 /nfs/dbraw/zinc/26/49/28/1028264928.db2.gz CPGQXVUZHQGZRD-UHFFFAOYSA-N -1 0 305.374 3.613 20 30 DHEDRM CC(C)[C@H](Cc1ccccc1)NN=C1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000814906572 1028272863 /nfs/dbraw/zinc/27/28/63/1028272863.db2.gz AIRMJFSAALRVDW-QGTPRVQTSA-N -1 0 316.445 3.720 20 30 DHEDRM CC(N=Nc1nccnc1C1CCC1)[C@H](C)CCCCC(=O)[O-] ZINC000814931826 1028290108 /nfs/dbraw/zinc/29/01/08/1028290108.db2.gz GRLCJXGBQHTHNV-GFCCVEGCSA-N -1 0 318.421 3.813 20 30 DHEDRM CC(C)c1ccsc1C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000049003754 1028329876 /nfs/dbraw/zinc/32/98/76/1028329876.db2.gz KGPWPWHISILBJK-UHFFFAOYSA-N -1 0 309.412 3.565 20 30 DHEDRM C[C@@H]1CCc2c(C(=O)Nc3cc(C#N)ccc3[O-])csc2C1 ZINC000748003439 1028537815 /nfs/dbraw/zinc/53/78/15/1028537815.db2.gz UUHAKAULMRUSDG-SNVBAGLBSA-N -1 0 312.394 3.702 20 30 DHEDRM C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)C1 ZINC000076760729 1028713544 /nfs/dbraw/zinc/71/35/44/1028713544.db2.gz GLWCUNKXSVVPRQ-GNEQJTLISA-N -1 0 307.415 3.770 20 30 DHEDRM CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000076762710 1028714670 /nfs/dbraw/zinc/71/46/70/1028714670.db2.gz QQUOTERUMPDJHU-GFCCVEGCSA-N -1 0 320.414 3.625 20 30 DHEDRM Cc1c2cccc(F)c2oc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000041573853 1028755914 /nfs/dbraw/zinc/75/59/14/1028755914.db2.gz QWHQBWNJGRYWDF-CYBMUJFWSA-N -1 0 323.327 3.777 20 30 DHEDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC=CC1 ZINC000077940549 1029181489 /nfs/dbraw/zinc/18/14/89/1029181489.db2.gz QKMLLEWBBZNXJD-UHFFFAOYSA-N -1 0 320.197 3.605 20 30 DHEDRM O=C([O-])c1cc(/C=C\C(=O)c2cccc(Cl)c2)ccc1O ZINC000779358891 1029204727 /nfs/dbraw/zinc/20/47/27/1029204727.db2.gz YHWVQAJMMKZEBH-XQRVVYSFSA-N -1 0 302.713 3.640 20 30 DHEDRM C=C(C)CN(CC)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC001136098439 1029326429 /nfs/dbraw/zinc/32/64/29/1029326429.db2.gz DWYNKKOQBXCYRL-UHFFFAOYSA-N -1 0 313.353 3.503 20 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/nfs/dbraw/zinc/33/09/32/1030330932.db2.gz HEFUOUSCQHPXQC-RMKNXTFCSA-N -1 0 310.349 3.906 20 30 DHEDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C1/CCc2c(O)cccc2C1=O ZINC000794942153 1030425319 /nfs/dbraw/zinc/42/53/19/1030425319.db2.gz JEVBTPORGIKMOI-LCYFTJDESA-N -1 0 322.360 3.920 20 30 DHEDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1ccc2c(c1)COC2 ZINC000794942072 1030425611 /nfs/dbraw/zinc/42/56/11/1030425611.db2.gz HFOGLPKFWQZCJP-WAYWQWQTSA-N -1 0 322.360 3.928 20 30 DHEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccco3)n2)cc1 ZINC000066544140 1030514558 /nfs/dbraw/zinc/51/45/58/1030514558.db2.gz QXISISRWRKMUDB-ZDUSSCGKSA-N -1 0 324.361 3.902 20 30 DHEDRM [O-]c1cc(Cl)c(C=NNc2cccc(F)n2)cc1Cl ZINC000795006454 1030554544 /nfs/dbraw/zinc/55/45/44/1030554544.db2.gz JAMANAOOODPJHA-UHFFFAOYSA-N -1 0 300.120 3.679 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2cccc(OC(C)(C)C)n2)n1 ZINC000626283084 1030702549 /nfs/dbraw/zinc/70/25/49/1030702549.db2.gz CKFWKBWRABTUEW-NSHDSACASA-N -1 0 315.398 3.514 20 30 DHEDRM Cc1cc(F)ncc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000870225367 1030946032 /nfs/dbraw/zinc/94/60/32/1030946032.db2.gz QAVDCFOVVWRLGG-JTQLQIEISA-N -1 0 303.362 3.599 20 30 DHEDRM CCCCCCCC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000844158166 1030994281 /nfs/dbraw/zinc/99/42/81/1030994281.db2.gz UVSXQSOSFXBEHK-UHFFFAOYSA-N -1 0 318.417 3.634 20 30 DHEDRM COc1ccc(/C=C\C(=O)c2ccccc2[O-])cc1OC(F)F ZINC000757474911 1031188890 /nfs/dbraw/zinc/18/88/90/1031188890.db2.gz NJDGPUOZQGQWPU-VURMDHGXSA-N -1 0 320.291 3.898 20 30 DHEDRM Cc1c(N=NC2CCCC[C@H]2[C@H]2CCOC2)cccc1C(=O)[O-] ZINC000844622709 1031257726 /nfs/dbraw/zinc/25/77/26/1031257726.db2.gz IKYLGUSPATUDIU-ZFWWWQNUSA-N -1 0 316.401 3.688 20 30 DHEDRM Cc1c(NN=Cc2cnc(C(C)C)s2)cccc1C(=O)[O-] ZINC000844622758 1031257913 /nfs/dbraw/zinc/25/79/13/1031257913.db2.gz CYMUIEMPGUKLNH-UHFFFAOYSA-N -1 0 303.387 3.719 20 30 DHEDRM CCCOc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1C ZINC000871665265 1031259978 /nfs/dbraw/zinc/25/99/78/1031259978.db2.gz GJBCBFIDYFDYGY-JLHYYAGUSA-N -1 0 323.396 3.608 20 30 DHEDRM N#C[C@@H]1CCCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000928223701 1031261006 /nfs/dbraw/zinc/26/10/06/1031261006.db2.gz QGBXJDVMMWQNIG-NSHDSACASA-N -1 0 314.772 3.575 20 30 DHEDRM C=C[C@@H](C)ONC(=O)Nc1nc(C)c(Cc2ccccc2)s1 ZINC000844654366 1031271444 /nfs/dbraw/zinc/27/14/44/1031271444.db2.gz QNBXTCCFAPCNJM-LLVKDONJSA-N -1 0 317.414 3.670 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2cc(C(C)C)n(C)n2)n1 ZINC000080456239 1031369192 /nfs/dbraw/zinc/36/91/92/1031369192.db2.gz CSRUJTFZNBFSAL-LLVKDONJSA-N -1 0 316.430 3.613 20 30 DHEDRM CC1(C)CCc2c([n-]n(-c3ccc(C#N)c(Cl)c3)c2=O)C1 ZINC000871957009 1031385658 /nfs/dbraw/zinc/38/56/58/1031385658.db2.gz KXLWIXAYHOJBMX-GFCCVEGCSA-N -1 0 301.777 3.741 20 30 DHEDRM O=C([O-])c1ccccc1N=NCC1([C@H]2CCCCO2)CCC1 ZINC000872337819 1031585522 /nfs/dbraw/zinc/58/55/22/1031585522.db2.gz HRXWOXBBTQBRHX-OAHLLOKOSA-N -1 0 302.374 3.522 20 30 DHEDRM C=CC(C)(C)CCCNC(=O)c1c(C)ccc(C)c1C(=O)[O-] ZINC000873005858 1031690843 /nfs/dbraw/zinc/69/08/43/1031690843.db2.gz RQUMSBHLHMQFHQ-UHFFFAOYSA-N -1 0 303.402 3.724 20 30 DHEDRM CCC[C@@H](C)C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845835759 1031734661 /nfs/dbraw/zinc/73/46/61/1031734661.db2.gz FAIQJYHNUCFPFM-YPMHNXCESA-N -1 0 303.427 3.955 20 30 DHEDRM CC(C)[C@H](C)C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845835698 1031735252 /nfs/dbraw/zinc/73/52/52/1031735252.db2.gz CVGNDJDYOPKTKH-AAEUAGOBSA-N -1 0 303.427 3.811 20 30 DHEDRM Cc1ccc(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)cc1F ZINC000845837219 1031736656 /nfs/dbraw/zinc/73/66/56/1031736656.db2.gz ORBKCEVHVJHWAC-MRXNPFEDSA-N -1 0 321.351 3.758 20 30 DHEDRM N#CC(C(=O)CCC(F)F)=C([O-])c1cc2c(s1)CCCC2 ZINC000845835046 1031736756 /nfs/dbraw/zinc/73/67/56/1031736756.db2.gz VPNHFAQTQPLTOT-SNVBAGLBSA-N -1 0 311.353 3.564 20 30 DHEDRM CC[C@@H](SC)C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845837131 1031736807 /nfs/dbraw/zinc/73/68/07/1031736807.db2.gz MSIABEFCVQNKLI-NWDGAFQWSA-N -1 0 321.467 3.660 20 30 DHEDRM CCc1ccc(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)cc1 ZINC000845837458 1031737185 /nfs/dbraw/zinc/73/71/85/1031737185.db2.gz PVDMIWXBUNERMH-GOSISDBHSA-N -1 0 317.388 3.872 20 30 DHEDRM Cc1cc(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)c(C)o1 ZINC000845836658 1031737923 /nfs/dbraw/zinc/73/79/23/1031737923.db2.gz KWENJPHSFJXGHF-MRXNPFEDSA-N -1 0 307.349 3.520 20 30 DHEDRM CC(C)n1cccc1C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845841173 1031740818 /nfs/dbraw/zinc/74/08/18/1031740818.db2.gz LBHQBPBKFRYUTB-MRXNPFEDSA-N -1 0 320.392 3.692 20 30 DHEDRM N#CC(=C([O-])c1ccc(C#N)s1)c1nccc2ccccc21 ZINC000361522237 1031969989 /nfs/dbraw/zinc/96/99/89/1031969989.db2.gz AJEYYTGQJFPMKQ-CQSZACIVSA-N -1 0 303.346 3.658 20 30 DHEDRM Cc1nc(C([O-])=C(C#N)c2nccc3ccccc32)c(C)s1 ZINC000361528932 1031973269 /nfs/dbraw/zinc/97/32/69/1031973269.db2.gz WRADIGBOGZURTN-CQSZACIVSA-N -1 0 307.378 3.798 20 30 DHEDRM CC(=O)c1cccc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000361539786 1031976437 /nfs/dbraw/zinc/97/64/37/1031976437.db2.gz GYLPPPXZQGHGEJ-SFHVURJKSA-N -1 0 314.344 3.927 20 30 DHEDRM C=C[C@@H](C)O[N-]C(=O)Cc1csc(-c2ccc(CC)cc2)n1 ZINC000846546853 1031997288 /nfs/dbraw/zinc/99/72/88/1031997288.db2.gz ZFVDZVKNASXCJK-GFCCVEGCSA-N -1 0 316.426 3.537 20 30 DHEDRM C=C[C@H](C)O[N-]C(=O)C1(c2c(Cl)cccc2Cl)CC1 ZINC000846549542 1031998909 /nfs/dbraw/zinc/99/89/09/1031998909.db2.gz YSYVOELZZBYGGY-VIFPVBQESA-N -1 0 300.185 3.647 20 30 DHEDRM CCCCCCCC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000846714917 1032046155 /nfs/dbraw/zinc/04/61/55/1032046155.db2.gz CSMRIDXVJOMJPG-HZPDHXFCSA-N -1 0 303.402 3.776 20 30 DHEDRM Oc1ccc(Cl)cc1/C=N/[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000846756733 1032050090 /nfs/dbraw/zinc/05/00/90/1032050090.db2.gz LDJSFYVNLAXRJB-MLNSPDOJSA-N -1 0 321.726 3.965 20 30 DHEDRM CC(C)c1ncncc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000338186400 1033298663 /nfs/dbraw/zinc/29/86/63/1033298663.db2.gz QFSCDCPVEBZDJA-NSHDSACASA-N -1 0 322.393 3.700 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2ccc(OC(F)F)cc2)c1 ZINC000022690725 1033702825 /nfs/dbraw/zinc/70/28/25/1033702825.db2.gz XZMVEFQDSXBOOS-GIJQJNRQSA-N -1 0 322.267 3.521 20 30 DHEDRM CSc1ccc(CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000797784666 1033746810 /nfs/dbraw/zinc/74/68/10/1033746810.db2.gz DWOMKVHUGAKSQT-GZTJUZNOSA-N -1 0 316.382 3.684 20 30 DHEDRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC1CCC(C)(C#N)CC1 ZINC001173593725 1033781258 /nfs/dbraw/zinc/78/12/58/1033781258.db2.gz SNKQDIQIMYTORM-UHFFFAOYSA-N -1 0 310.401 3.771 20 30 DHEDRM C#CC[C@H]1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000862571728 1033895823 /nfs/dbraw/zinc/89/58/23/1033895823.db2.gz XCGISHHZKNMAMV-LBPRGKRZSA-N -1 0 313.784 3.684 20 30 DHEDRM CCN(CC)C(=O)c1cccc(Nc2scc([O-])c2C#N)c1 ZINC001174164133 1034187697 /nfs/dbraw/zinc/18/76/97/1034187697.db2.gz CPTHEKFVKIKDTK-UHFFFAOYSA-N -1 0 315.398 3.551 20 30 DHEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N/[C@H]1CCCn2nccc21 ZINC000864347824 1034323853 /nfs/dbraw/zinc/32/38/53/1034323853.db2.gz BBEJGOBUOBYIOD-OPFCKLNOSA-N -1 0 310.184 3.850 20 30 DHEDRM C=C(C)C[C@@H](/N=C\c1cc(Cl)cc(Cl)c1[O-])C(=O)OC ZINC000864346809 1034324977 /nfs/dbraw/zinc/32/49/77/1034324977.db2.gz DUFOMRVTCYXSPI-JGSGYBEMSA-N -1 0 316.184 3.626 20 30 DHEDRM N#Cc1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)ccc1Cl ZINC001174404795 1034392599 /nfs/dbraw/zinc/39/25/99/1034392599.db2.gz DYDUESINKKRUCI-UHFFFAOYSA-N -1 0 310.744 3.847 20 30 DHEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2ccc3occc3c2)c1 ZINC000794697056 1034396330 /nfs/dbraw/zinc/39/63/30/1034396330.db2.gz XGJSPHDTZMIIHC-XQRVVYSFSA-N -1 0 322.316 3.792 20 30 DHEDRM N#Cc1c(F)ccc(Nc2cccc(/C=C/C(=O)[O-])c2)c1F ZINC001174496864 1034415507 /nfs/dbraw/zinc/41/55/07/1034415507.db2.gz XRDZALLIFDSWFZ-QPJJXVBHSA-N -1 0 300.264 3.678 20 30 DHEDRM Cc1cnn(C)c1/C=C/C(=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000794713327 1034429076 /nfs/dbraw/zinc/42/90/76/1034429076.db2.gz MVJICNPBPKPDHZ-ONEGZZNKSA-N -1 0 311.168 3.637 20 30 DHEDRM O=C(/C=C/c1ccnn1C1CCC1)c1ccc([O-])cc1Cl ZINC000899392839 1034644738 /nfs/dbraw/zinc/64/47/38/1034644738.db2.gz WLGYGMIEIWQTRP-QPJJXVBHSA-N -1 0 302.761 3.863 20 30 DHEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)c2ccccc12 ZINC000842292309 1034700592 /nfs/dbraw/zinc/70/05/92/1034700592.db2.gz SGUULHNLGNPRBX-SFHVURJKSA-N -1 0 320.392 3.530 20 30 DHEDRM Cc1ccc(C(=O)[O-])cc1Nc1ccc(N2CCCC2)c(C#N)c1 ZINC001174984710 1034747223 /nfs/dbraw/zinc/74/72/23/1034747223.db2.gz SYOOSRNGOCYJNW-UHFFFAOYSA-N -1 0 321.380 3.909 20 30 DHEDRM N#Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2)c2cccnc12 ZINC001175161593 1034839852 /nfs/dbraw/zinc/83/98/52/1034839852.db2.gz IUUUTWINPKXOHC-UHFFFAOYSA-N -1 0 307.284 3.687 20 30 DHEDRM C=C(C)c1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])c1 ZINC000899854115 1034929247 /nfs/dbraw/zinc/92/92/47/1034929247.db2.gz BPFZGAAMZAJBBT-DFHZNHDVSA-N -1 0 311.381 3.571 20 30 DHEDRM CC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)c(C#N)c1 ZINC001175319810 1034932066 /nfs/dbraw/zinc/93/20/66/1034932066.db2.gz AVDDDCQJBWOOKZ-UHFFFAOYSA-N -1 0 314.728 3.856 20 30 DHEDRM N#Cc1c(F)cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1F ZINC001176587712 1035290887 /nfs/dbraw/zinc/29/08/87/1035290887.db2.gz AVZIAROWNZKJPN-UHFFFAOYSA-N -1 0 314.291 3.696 20 30 DHEDRM Cc1cc(C#N)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1F ZINC001176587994 1035291161 /nfs/dbraw/zinc/29/11/61/1035291161.db2.gz FYFRLBGGYIKSBH-UHFFFAOYSA-N -1 0 310.328 3.866 20 30 DHEDRM Cc1cc(Cl)nc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1C#N ZINC001176592673 1035292995 /nfs/dbraw/zinc/29/29/95/1035292995.db2.gz MDXRZAOWUDBMRK-QPJJXVBHSA-N -1 0 313.744 3.757 20 30 DHEDRM C=CCn1cc(Nc2ccc(Br)cc2[S-])cn1 ZINC001176550873 1035294756 /nfs/dbraw/zinc/29/47/56/1035294756.db2.gz XSNNCNFSCVVKAO-UHFFFAOYSA-N -1 0 310.220 3.864 20 30 DHEDRM N#Cc1c(F)cc(F)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176673421 1035311694 /nfs/dbraw/zinc/31/16/94/1035311694.db2.gz GJTJYTIJYSZYIC-UHFFFAOYSA-N -1 0 300.186 3.703 20 30 DHEDRM N#CCCc1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC001178220775 1035417595 /nfs/dbraw/zinc/41/75/95/1035417595.db2.gz WFUGGUPDIRZNRE-UHFFFAOYSA-N 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O=C([O-])c1cc(C=NN=C(c2ccccc2)c2ccccc2)c[nH]1 ZINC000814691517 601795776 /nfs/dbraw/zinc/79/57/76/601795776.db2.gz FZXVPWGWXJWZDX-UHFFFAOYSA-N -1 0 317.348 3.584 20 30 DHEDRM N#Cc1cc(F)ccc1CSCc1ccc(C(=O)[O-])s1 ZINC000833069883 601846514 /nfs/dbraw/zinc/84/65/14/601846514.db2.gz YPCSAWZRBZQBMI-UHFFFAOYSA-N -1 0 307.371 3.890 20 30 DHEDRM Cc1ccc2c(c1)C/C(=C/c1ccc(O[C@@H](C)C(=O)[O-])cc1)C2=O ZINC000794708152 602109651 /nfs/dbraw/zinc/10/96/51/602109651.db2.gz PZZHSVUPMASKIZ-ATTDUZETSA-N -1 0 322.360 3.669 20 30 DHEDRM CCc1ccc(C(=O)/C=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)o1 ZINC000794701037 602112392 /nfs/dbraw/zinc/11/23/92/602112392.db2.gz KSAFFGLEOCVZJW-GYGFLDJKSA-N -1 0 314.337 3.590 20 30 DHEDRM C=CCC(CC=C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262064321 602171806 /nfs/dbraw/zinc/17/18/06/602171806.db2.gz BLLYVVWTVXHBMD-UHFFFAOYSA-N -1 0 301.386 3.756 20 30 DHEDRM C=CCC(CC=C)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776673467 602177619 /nfs/dbraw/zinc/17/76/19/602177619.db2.gz 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CC(=CN=Nc1ccc(C(=O)[O-])cn1)Cc1ccc(Cl)cc1 ZINC000763369242 604668526 /nfs/dbraw/zinc/66/85/26/604668526.db2.gz UJXFQLUABXUKOC-BLYMQUCJSA-N -1 0 315.760 3.934 20 30 DHEDRM CC(C)(C#N)c1ccccc1COC(=O)c1cccc(C(=O)[O-])c1 ZINC000826080875 604689280 /nfs/dbraw/zinc/68/92/80/604689280.db2.gz JDZJCNOPZSGDRW-UHFFFAOYSA-N -1 0 323.348 3.543 20 30 DHEDRM C=C[C@H](CC(=O)OCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833370295 604730147 /nfs/dbraw/zinc/73/01/47/604730147.db2.gz AQOPEXADNASBLP-OAHLLOKOSA-N -1 0 310.349 3.788 20 30 DHEDRM C=C[C@@H](Cc1nc(-c2ccc(C(=O)[O-])cc2)no1)c1ccccc1 ZINC000833370925 604764782 /nfs/dbraw/zinc/76/47/82/604764782.db2.gz JGDQFMIGVPZEGH-ZDUSSCGKSA-N -1 0 320.348 3.947 20 30 DHEDRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccccc1SCCC#N ZINC000833454183 605068507 /nfs/dbraw/zinc/06/85/07/605068507.db2.gz FXPSJGYWPAUPQV-UHFFFAOYSA-N -1 0 320.414 3.522 20 30 DHEDRM C=CCCC[C@H](C)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000263552561 605076909 /nfs/dbraw/zinc/07/69/09/605076909.db2.gz 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606237727 /nfs/dbraw/zinc/23/77/27/606237727.db2.gz HGACHPMUGKIPEK-JTQLQIEISA-N -1 0 319.413 3.592 20 30 DHEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001602717973 971371030 /nfs/dbraw/zinc/37/10/30/971371030.db2.gz ABAOLMJWRGKFNJ-BZUAXINKSA-N -1 0 322.449 3.550 20 30 DHEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001602717976 971371481 /nfs/dbraw/zinc/37/14/81/971371481.db2.gz ABAOLMJWRGKFNJ-OWCLPIDISA-N -1 0 322.449 3.550 20 30 DHEDRM C=CC[C@H]1N(C(=O)c2coc(/C=C/C(=O)[O-])c2)CCCC1(C)C ZINC001602719023 971380368 /nfs/dbraw/zinc/38/03/68/971380368.db2.gz KQTWTAGUKOSAAV-MVGZEHJDSA-N -1 0 317.385 3.584 20 30 DHEDRM C=CCn1cc2ccc(NCc3ccc(C(=O)[O-])s3)cc2n1 ZINC001602730889 971410074 /nfs/dbraw/zinc/41/00/74/971410074.db2.gz IDCIBGDDDFGQTC-UHFFFAOYSA-N -1 0 313.382 3.594 20 30 DHEDRM CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000048519269 1013099074 /nfs/dbraw/zinc/09/90/74/1013099074.db2.gz YTQLWXNPLKFLQN-SSDOTTSWSA-N -1 0 310.202 3.685 20 30 DHEDRM CC(C)[C@H](CNc1c(C#N)cnc2c(Cl)cccc21)C(=O)[O-] ZINC000594541439 953767645 /nfs/dbraw/zinc/76/76/45/953767645.db2.gz UUXDLBQOEGIOSN-LBPRGKRZSA-N -1 0 317.776 3.529 20 30 DHEDRM N#Cc1cc(F)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC001594616102 956237983 /nfs/dbraw/zinc/23/79/83/956237983.db2.gz NVDFUCZBADFPSM-UHFFFAOYSA-N -1 0 305.692 3.628 20 30 DHEDRM CCN(Cc1c2ccccc2sc1C(=O)[O-])C[C@@H](C)C#N ZINC000042447493 957418808 /nfs/dbraw/zinc/41/88/08/957418808.db2.gz CKFOEGVIHRJNPR-NSHDSACASA-N -1 0 302.399 3.581 20 30 DHEDRM C#CCC1(C(=O)Nc2cccc(CCC(=O)[O-])c2)CCCCC1 ZINC001573319651 958475831 /nfs/dbraw/zinc/47/58/31/958475831.db2.gz ZECDPPJLLHDOSR-UHFFFAOYSA-N -1 0 313.397 3.616 20 30 DHEDRM N#CC(=C([O-])c1cccc2c1OCO2)c1nc2ccccc2s1 ZINC000339989866 1013190410 /nfs/dbraw/zinc/19/04/10/1013190410.db2.gz GWDROFFPCKKLTD-NSHDSACASA-N -1 0 322.345 3.515 20 30 DHEDRM N#Cc1ccccc1Oc1ccc(NC(=O)CCCC(=O)[O-])cc1 ZINC001574493083 961717490 /nfs/dbraw/zinc/71/74/90/961717490.db2.gz IAMWQURKLPLOGO-UHFFFAOYSA-N -1 0 324.336 3.544 20 30 DHEDRM C=C(C)C[C@H](NC(=O)C/C=C/c1ccc(C(C)C)cc1)C(=O)[O-] ZINC001573322008 962763541 /nfs/dbraw/zinc/76/35/41/962763541.db2.gz SUUSRFAYYADNGK-RTRPANQVSA-N -1 0 315.413 3.749 20 30 DHEDRM C=C(C)C[C@@H](NC(=O)C/C=C\c1ccc(C(C)C)cc1)C(=O)[O-] ZINC001573322006 962764586 /nfs/dbraw/zinc/76/45/86/962764586.db2.gz SUUSRFAYYADNGK-KEGWNNHHSA-N -1 0 315.413 3.749 20 30 DHEDRM C=C(C)C[C@H](Nc1ccc(-c2ccc(Cl)s2)nn1)C(=O)[O-] ZINC001573324851 962790228 /nfs/dbraw/zinc/79/02/28/962790228.db2.gz ZYXXGKBZGYWXLS-JTQLQIEISA-N -1 0 323.805 3.690 20 30 DHEDRM C=C(C)c1cccc(NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1 ZINC001573326008 962801616 /nfs/dbraw/zinc/80/16/16/962801616.db2.gz QKEHZVRPEXNEMK-XLIONFOSSA-N -1 0 321.376 3.917 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC001573332546 962837586 /nfs/dbraw/zinc/83/75/86/962837586.db2.gz OSVCZCPPLSGMJB-KSSFIOAISA-N -1 0 315.413 3.716 20 30 DHEDRM C=CCC1(C(=O)Oc2ccc(SCC(=O)[O-])cc2)CCCC1 ZINC001573352714 962991659 /nfs/dbraw/zinc/99/16/59/962991659.db2.gz IMPRAULDHHUVEQ-UHFFFAOYSA-N -1 0 320.410 3.905 20 30 DHEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001573353084 962995997 /nfs/dbraw/zinc/99/59/97/962995997.db2.gz OWALNHSLEOQBFM-IUODEOHRSA-N -1 0 302.374 3.641 20 30 DHEDRM C=CCCC[C@@H](NC(=O)/C=C(/C)c1cccc(Cl)c1)C(=O)[O-] ZINC001573356460 963007648 /nfs/dbraw/zinc/00/76/48/963007648.db2.gz BUVNRCSZUGYJAL-KUGGDMIFSA-N -1 0 321.804 3.669 20 30 DHEDRM C=CCCC[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001573364671 963049271 /nfs/dbraw/zinc/04/92/71/963049271.db2.gz AIXVMVKXACSPHE-LBPRGKRZSA-N -1 0 316.184 3.533 20 30 DHEDRM C=CCCC[C@H](NC(=O)c1ccccc1C(C)(C)C)C(=O)[O-] ZINC001573365431 963054041 /nfs/dbraw/zinc/05/40/41/963054041.db2.gz GIZIFMKQXAAOMB-HNNXBMFYSA-N -1 0 303.402 3.523 20 30 DHEDRM C#CCCCCCCOc1cn(-c2ccccc2)nc1C(=O)[O-] ZINC001588441277 964050599 /nfs/dbraw/zinc/05/05/99/964050599.db2.gz CLZVVOVQMQWGNY-UHFFFAOYSA-N -1 0 312.369 3.533 20 30 DHEDRM C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000076766656 1013854189 /nfs/dbraw/zinc/85/41/89/1013854189.db2.gz IJFIUDHJSLBQJT-IUODEOHRSA-N -1 0 321.442 3.647 20 30 DHEDRM C[C@@H]1CC(CNC(=O)c2cc(F)cc(Cl)c2[O-])C[C@@H](C)O1 ZINC000331251109 1013871588 /nfs/dbraw/zinc/87/15/88/1013871588.db2.gz ZMDZMTBZIPUTDW-RKDXNWHRSA-N -1 0 315.772 3.693 20 30 DHEDRM Cc1c(NCc2ccc(C3(C#N)CC3)cc2)cccc1C(=O)[O-] ZINC000594690291 974989619 /nfs/dbraw/zinc/98/96/19/974989619.db2.gz LBNCVQFMVYPDIZ-UHFFFAOYSA-N -1 0 306.365 3.861 20 30 DHEDRM CC(C)c1ccc2ncc(C#N)c(N3CC[C@H](C(=O)[O-])[C@@H]3C)c2c1 ZINC001591981655 976597360 /nfs/dbraw/zinc/59/73/60/976597360.db2.gz UYZATOAHHCQXOS-WFASDCNBSA-N -1 0 323.396 3.529 20 30 DHEDRM Cc1cccc(-c2n[nH]cc2C=NNc2cccc(C(=O)[O-])c2)c1 ZINC000755471644 978696645 /nfs/dbraw/zinc/69/66/45/978696645.db2.gz INYSTUGCBBNZRF-UHFFFAOYSA-N -1 0 320.352 3.529 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1cscc1Cl ZINC000756898826 978700609 /nfs/dbraw/zinc/70/06/09/978700609.db2.gz DGBZTBRLQMISKT-UHFFFAOYSA-N -1 0 310.762 3.554 20 30 DHEDRM O=C([O-])c1ccc(N=NC2CCCC[C@H]2c2ccccc2)nc1 ZINC000763369468 978721875 /nfs/dbraw/zinc/72/18/75/978721875.db2.gz GUGHQGNKABKSQC-HNNXBMFYSA-N -1 0 309.369 3.906 20 30 DHEDRM CCC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(Cl)s1 ZINC000763372093 978722714 /nfs/dbraw/zinc/72/27/14/978722714.db2.gz RNDAVSMPXYFNEO-UHFFFAOYSA-N -1 0 309.778 3.721 20 30 DHEDRM O=C([O-])c1cccc(/C=C2\CCOc3ccc(F)cc3C2=O)c1 ZINC000765824085 978723973 /nfs/dbraw/zinc/72/39/73/978723973.db2.gz JLLXHIAOKTUIOA-XYOKQWHBSA-N -1 0 312.296 3.573 20 30 DHEDRM C=CCCCS(=O)(=O)[N-]c1nc(-c2cccs2)cs1 ZINC000427760218 1014525615 /nfs/dbraw/zinc/52/56/15/1014525615.db2.gz NRHLVDQUMZNSIZ-UHFFFAOYSA-N -1 0 314.457 3.580 20 30 DHEDRM O=C([O-])c1csc(/C=C/C(=O)c2cnn(C3CCCC3)c2)c1 ZINC000799895162 978845248 /nfs/dbraw/zinc/84/52/48/978845248.db2.gz DAXONOFMLMUSKE-AATRIKPKSA-N -1 0 316.382 3.654 20 30 DHEDRM C[C@H]1C(N=Nc2ccc(C(F)(F)F)cc2)CC[C@H]1CC(=O)[O-] ZINC000814882319 978895770 /nfs/dbraw/zinc/89/57/70/978895770.db2.gz NAYDAWZEHIMNMX-ZJUUUORDSA-N -1 0 314.307 3.994 20 30 DHEDRM C[C@@H]1C(=NOc2ccccc2C(F)(F)F)CC[C@@H]1CC(=O)[O-] ZINC000814888305 978896627 /nfs/dbraw/zinc/89/66/27/978896627.db2.gz VKDOXBJFQTYHIW-VHSXEESVSA-N -1 0 315.291 3.961 20 30 DHEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(F)c2ccccc21 ZINC000814890578 978896798 /nfs/dbraw/zinc/89/67/98/978896798.db2.gz SPWROUSDQIRQFQ-UHFFFAOYSA-N -1 0 323.327 3.908 20 30 DHEDRM Cc1cc2ccccc2nc1N=NC1CC[C@H](CC(=O)[O-])[C@@H]1C ZINC000814896150 978897187 /nfs/dbraw/zinc/89/71/87/978897187.db2.gz LFSOGISKKOMMPW-QWHCGFSZSA-N -1 0 311.385 3.832 20 30 DHEDRM C[C@H]1C(N=Nc2ccc(C#N)c(Cl)c2)CC[C@@H]1CC(=O)[O-] ZINC000814901187 978897228 /nfs/dbraw/zinc/89/72/28/978897228.db2.gz CGEBDRVTDWMHRJ-NXEZZACHSA-N -1 0 305.765 3.500 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])C=CSc2ccccc2)n1 ZINC000255262838 1014544978 /nfs/dbraw/zinc/54/49/78/1014544978.db2.gz BOUJGKYSPUFXSH-WSROAFLRSA-N -1 0 300.408 3.934 20 30 DHEDRM C[C@@H]1C(N=Nc2ccc(CC(=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000848414767 979467137 /nfs/dbraw/zinc/46/71/37/979467137.db2.gz CQDVAZPTRNVLGK-SUMWQHHRSA-N -1 0 308.381 3.905 20 30 DHEDRM O=C([O-])Cc1ccc(N=NC[C@@H]2CCCc3ccccc32)cc1 ZINC000848415755 979468280 /nfs/dbraw/zinc/46/82/80/979468280.db2.gz PLTVKAFXCPZALW-INIZCTEOSA-N -1 0 308.381 3.832 20 30 DHEDRM O=C([O-])c1ccc(N=NC[C@H]2CCC[C@@H](C(F)(F)F)C2)nc1 ZINC000853325578 979606113 /nfs/dbraw/zinc/60/61/13/979606113.db2.gz JBMPAWVDGLQOMN-GXSJLCMTSA-N -1 0 315.295 3.546 20 30 DHEDRM C=CCN(Cc1ccc(C(=O)[O-])c(Cl)c1)CC(F)(F)F ZINC000901427309 980273039 /nfs/dbraw/zinc/27/30/39/980273039.db2.gz YMWAVOXWBLYQHL-UHFFFAOYSA-N -1 0 307.699 3.589 20 30 DHEDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1csc(C#N)c1 ZINC001595362832 980775258 /nfs/dbraw/zinc/77/52/58/980775258.db2.gz QEZAZINVPDPLRE-INIZCTEOSA-N -1 0 314.410 3.658 20 30 DHEDRM C=C[C@@H](CC)CC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000907587722 981198025 /nfs/dbraw/zinc/19/80/25/981198025.db2.gz FOCYEIQPWOCIEK-LBPRGKRZSA-N -1 0 307.415 3.545 20 30 DHEDRM C=CC1(CC(=O)Nc2nc(CCC(=O)[O-])cs2)CCCCC1 ZINC000907767732 981217161 /nfs/dbraw/zinc/21/71/61/981217161.db2.gz PQAHCBFACDYHLZ-UHFFFAOYSA-N -1 0 322.430 3.625 20 30 DHEDRM C=CCCCN(CC)C(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000908220000 981282612 /nfs/dbraw/zinc/28/26/12/981282612.db2.gz DFVGVYINLJKOAT-ZDUSSCGKSA-N -1 0 321.442 3.680 20 30 DHEDRM C#CCCCCC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000909230575 981438668 /nfs/dbraw/zinc/43/86/68/981438668.db2.gz TVVZGDJYJQKTMR-UHFFFAOYSA-N -1 0 319.426 3.527 20 30 DHEDRM CCC[C@H]1CCCC[C@H]1CNc1ccc(C(=O)[O-])nc1C#N ZINC001595622701 981713608 /nfs/dbraw/zinc/71/36/08/981713608.db2.gz VUVAHBZJNMSSCG-STQMWFEESA-N -1 0 301.390 3.670 20 30 DHEDRM CCCCCCCC(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC001595703539 982269741 /nfs/dbraw/zinc/26/97/41/982269741.db2.gz UPGIMLFKHWIIIA-MRXNPFEDSA-N -1 0 305.418 3.988 20 30 DHEDRM CCCCCCCCC(=O)N(CC(=O)[O-])c1cccc(C)n1 ZINC001595704589 982277035 /nfs/dbraw/zinc/27/70/35/982277035.db2.gz CEJVEBAVEZHHRS-UHFFFAOYSA-N -1 0 306.406 3.558 20 30 DHEDRM CCCCc1nc(CON=Cc2ccc(C(=O)[O-])cc2)cs1 ZINC001595799502 982613742 /nfs/dbraw/zinc/61/37/42/982613742.db2.gz UZLCDLCEXCAKFJ-UHFFFAOYSA-N -1 0 318.398 3.735 20 30 DHEDRM O=C([O-])c1ccc(/C=C\C(=O)c2cccc(OC(F)F)c2)cc1 ZINC000916128261 982672158 /nfs/dbraw/zinc/67/21/58/982672158.db2.gz SCORBMWNTJVTBZ-TWGQIWQCSA-N -1 0 318.275 3.882 20 30 DHEDRM C#C[C@](C)(CC)N[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001588367479 983299370 /nfs/dbraw/zinc/29/93/70/983299370.db2.gz VKNVIGCKZOBJIL-GXTWGEPZSA-N -1 0 300.185 3.511 20 30 DHEDRM C=C(C)[C@H]1CC=C(COC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC1 ZINC001588536548 983594475 /nfs/dbraw/zinc/59/44/75/983594475.db2.gz YGUAPUJTJTVPDV-JYJNAYRXSA-N -1 0 306.402 3.723 20 30 DHEDRM C=C(C)C[C@@H](NC(=O)c1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC001588546503 983615977 /nfs/dbraw/zinc/61/59/77/983615977.db2.gz MOQCNRCOVWASPE-OAHLLOKOSA-N -1 0 323.348 3.735 20 30 DHEDRM C=C(CC(C)C)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001588605637 983693819 /nfs/dbraw/zinc/69/38/19/983693819.db2.gz JIQYFECMDADSAR-UHFFFAOYSA-N -1 0 305.374 3.713 20 30 DHEDRM C=C(C)c1cccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC001588605703 983694285 /nfs/dbraw/zinc/69/42/85/983694285.db2.gz OAPZFLJALDYAHI-UHFFFAOYSA-N -1 0 309.365 3.989 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N(CCCC(C)C)Cc1ccc(C)o1 ZINC001588612710 983703838 /nfs/dbraw/zinc/70/38/38/983703838.db2.gz WLXIGBNOZCXPAD-UHFFFAOYSA-N -1 0 321.417 3.774 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)NCc1cccc(-c2cccc(C)c2)c1 ZINC001588630406 983743866 /nfs/dbraw/zinc/74/38/66/983743866.db2.gz ZJFCAYVHISPWQU-UHFFFAOYSA-N -1 0 323.392 3.699 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 ZINC001588630673 983745422 /nfs/dbraw/zinc/74/54/22/983745422.db2.gz WWSQRPJNUKNIBT-QGZVFWFLSA-N -1 0 315.413 3.725 20 30 DHEDRM C=C(Cl)CSc1ccc(Br)cc1C(=O)[O-] ZINC001588643840 983767555 /nfs/dbraw/zinc/76/75/55/983767555.db2.gz USHIVAVWGDYLGW-UHFFFAOYSA-N -1 0 307.596 3.992 20 30 DHEDRM C=CC(C)(C)CCCNC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001588673248 983829363 /nfs/dbraw/zinc/82/93/63/983829363.db2.gz NTTAIUXEAAJAKD-UHFFFAOYSA-N -1 0 318.417 3.818 20 30 DHEDRM C=CC(C)(C)CCNC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001588676834 983831681 /nfs/dbraw/zinc/83/16/81/983831681.db2.gz DSUOILVYSHSSGV-CYBMUJFWSA-N -1 0 318.417 3.674 20 30 DHEDRM C=CC(C)(C)CNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001588681214 983839059 /nfs/dbraw/zinc/83/90/59/983839059.db2.gz QYKIBGOLMJTRNU-UHFFFAOYSA-N -1 0 323.392 3.994 20 30 DHEDRM C=C[C@@H](CC)CC(=O)N(c1ccccc1C(=O)[O-])C1CCC1 ZINC001588691226 983879578 /nfs/dbraw/zinc/87/95/78/983879578.db2.gz UPYBYVIUNRCTCU-ZDUSSCGKSA-N -1 0 301.386 3.873 20 30 DHEDRM C=CC1(CC(=O)Nc2ccc(OCC(=O)[O-])cc2)CCCCC1 ZINC001588718377 983956247 /nfs/dbraw/zinc/95/62/47/983956247.db2.gz AAPFOYSHZWWQMA-UHFFFAOYSA-N -1 0 317.385 3.615 20 30 DHEDRM C=C[C@@H]1CCCCN1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001588719113 983959246 /nfs/dbraw/zinc/95/92/46/983959246.db2.gz LHCSRIWERHUPSY-CYBMUJFWSA-N -1 0 308.765 3.611 20 30 DHEDRM C=CC[C@H](C(=O)OCc1cc(C(=O)[O-])oc1C)c1ccccc1 ZINC001588731569 984008876 /nfs/dbraw/zinc/00/88/76/984008876.db2.gz KGOFFFYGIJBIMN-HNNXBMFYSA-N -1 0 314.337 3.689 20 30 DHEDRM C=CC[C@@H](OC(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001588753624 984087434 /nfs/dbraw/zinc/08/74/34/984087434.db2.gz KYWUJKIYRCYBHZ-QGZVFWFLSA-N -1 0 310.349 3.788 20 30 DHEDRM C=CC[C@@H](Sc1nnc(-c2ccc(Cl)s2)o1)C(=O)[O-] ZINC001588758403 984105511 /nfs/dbraw/zinc/10/55/11/984105511.db2.gz FRMSHCRHTFAPAF-SSDOTTSWSA-N -1 0 316.791 3.573 20 30 DHEDRM C=CC[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-] ZINC001588759465 984111516 /nfs/dbraw/zinc/11/15/16/984111516.db2.gz UKYAHNWTCVNOAD-NSHDSACASA-N -1 0 301.289 3.698 20 30 DHEDRM C=CC[C@H](Sc1nnc(C[C@H](C)c2ccccc2)o1)C(=O)[O-] ZINC001588763630 984120014 /nfs/dbraw/zinc/12/00/14/984120014.db2.gz UZWDNLZEUFUCSD-AAEUAGOBSA-N -1 0 318.398 3.537 20 30 DHEDRM C=CCC1(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)CCCC1 ZINC001588765285 984126549 /nfs/dbraw/zinc/12/65/49/984126549.db2.gz WEWUHMYRRWQYDI-UHFFFAOYSA-N -1 0 323.776 3.819 20 30 DHEDRM C=CCC1(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)CCCC1 ZINC001588766960 984126874 /nfs/dbraw/zinc/12/68/74/984126874.db2.gz ANHJPHKXIPKXBS-UHFFFAOYSA-N -1 0 320.364 3.843 20 30 DHEDRM C=CCC1(NC(=O)Nc2cc(C)cc(C(=O)[O-])c2)CCCC1 ZINC001588767291 984129409 /nfs/dbraw/zinc/12/94/09/984129409.db2.gz SIMRZJMMOOXMTB-UHFFFAOYSA-N -1 0 302.374 3.704 20 30 DHEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001588771245 984138474 /nfs/dbraw/zinc/13/84/74/984138474.db2.gz QXQRDVKKXDYVMI-WDEREUQCSA-N -1 0 308.403 3.703 20 30 DHEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001588771504 984140184 /nfs/dbraw/zinc/14/01/84/984140184.db2.gz WERYGHZAWDCDFU-XJKSGUPXSA-N -1 0 316.401 3.950 20 30 DHEDRM C=CCCC(C)(C)CNC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588776726 984152988 /nfs/dbraw/zinc/15/29/88/984152988.db2.gz CUEIATLOOKEKMP-CQSZACIVSA-N -1 0 324.465 3.511 20 30 DHEDRM C=CCC[C@H](C(=O)OCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001588776780 984153670 /nfs/dbraw/zinc/15/36/70/984153670.db2.gz GPMOBZLUTCFMMQ-HNNXBMFYSA-N -1 0 314.337 3.771 20 30 DHEDRM C=CCCCC(=O)Nc1c2ccc(C)nc2sc1C(=O)[O-] ZINC001588782546 984173055 /nfs/dbraw/zinc/17/30/55/984173055.db2.gz IRHYHJCEFRTVLO-UHFFFAOYSA-N -1 0 304.371 3.598 20 30 DHEDRM C=CCCC[C@@H](C(=O)NCCC(C)(C)C(=O)[O-])c1ccccc1 ZINC001588783045 984176183 /nfs/dbraw/zinc/17/61/83/984176183.db2.gz VGRAWHXJDKGUOV-MRXNPFEDSA-N -1 0 317.429 3.744 20 30 DHEDRM C=CCCC[C@@H](NC(=O)/C(C)=C\c1cccc(Cl)c1)C(=O)[O-] ZINC001588787311 984186101 /nfs/dbraw/zinc/18/61/01/984186101.db2.gz VCVZIILRTLWMRL-KUGGDMIFSA-N -1 0 321.804 3.669 20 30 DHEDRM C=CCCC[C@H](NC(=O)c1cc2cc(C)c(C)cc2o1)C(=O)[O-] ZINC001588792794 984212993 /nfs/dbraw/zinc/21/29/93/984212993.db2.gz NRTHDQCFAPJXBS-AWEZNQCLSA-N -1 0 315.369 3.589 20 30 DHEDRM C=CCCCCCN(C)C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001588800035 984243478 /nfs/dbraw/zinc/24/34/78/984243478.db2.gz XKGMUERHDGKRTD-UHFFFAOYSA-N -1 0 320.389 3.604 20 30 DHEDRM C=CCCCSCC(=O)c1c[nH]c2ccc(C(=O)[O-])cc21 ZINC001588806006 984257391 /nfs/dbraw/zinc/25/73/91/984257391.db2.gz XYERKGCZXCYWMM-UHFFFAOYSA-N -1 0 303.383 3.748 20 30 DHEDRM C=CCOc1cccc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)c1 ZINC001588872706 984441563 /nfs/dbraw/zinc/44/15/63/984441563.db2.gz DAIBLQIYXGGDFJ-UHFFFAOYSA-N -1 0 311.337 3.510 20 30 DHEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H](C)[C@H](C)CC ZINC001588882460 984463066 /nfs/dbraw/zinc/46/30/66/984463066.db2.gz UMZUPSUJMIODBE-VXGBXAGGSA-N -1 0 320.385 3.710 20 30 DHEDRM C/C(=C/C(=O)[O-])CSc1ccc(C#N)c(C(F)(F)F)c1 ZINC001588952388 984686114 /nfs/dbraw/zinc/68/61/14/984686114.db2.gz PLVXNIJPMKAAOY-YWEYNIOJSA-N -1 0 301.289 3.700 20 30 DHEDRM CCc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)s1 ZINC000077880634 1015213932 /nfs/dbraw/zinc/21/39/32/1015213932.db2.gz NDOVWOSGDZYFNM-LLVKDONJSA-N -1 0 323.439 3.706 20 30 DHEDRM CCOc1ccc(O)c(C=Nc2ccc(F)c(C(=O)[O-])c2C)c1 ZINC001597129553 986839951 /nfs/dbraw/zinc/83/99/51/986839951.db2.gz DHEXFKLDJIPZKL-UHFFFAOYSA-N -1 0 317.316 3.687 20 30 DHEDRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CC2(C#N)CCCCC2)c1 ZINC001589521756 987169750 /nfs/dbraw/zinc/16/97/50/987169750.db2.gz CVACGFKZTNNLSE-CYBMUJFWSA-N -1 0 314.385 3.677 20 30 DHEDRM CC(C)(C#N)c1ccc(C(=O)OCc2cccc(C(=O)[O-])c2)cc1 ZINC001589557725 987306683 /nfs/dbraw/zinc/30/66/83/987306683.db2.gz GKVGCODNRPUWGP-UHFFFAOYSA-N -1 0 323.348 3.543 20 30 DHEDRM CC(C)(C)[C@@H]1CN(c2ccc(C(=O)[O-])nc2C#N)c2ccccc21 ZINC001589735137 987983364 /nfs/dbraw/zinc/98/33/64/987983364.db2.gz MJVXLCAKEDAWQN-CYBMUJFWSA-N -1 0 321.380 3.933 20 30 DHEDRM CCc1cccc(C(=O)[O-])c1NC(=O)CC1(C#N)CCCCC1 ZINC001597573011 988357228 /nfs/dbraw/zinc/35/72/28/988357228.db2.gz QGAKRAGNQXFTFF-UHFFFAOYSA-N -1 0 314.385 3.750 20 30 DHEDRM CC(C)[C@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc21 ZINC001591092876 991649974 /nfs/dbraw/zinc/64/99/74/991649974.db2.gz GAQRMFXFOZTKSL-IEBWSBKVSA-N -1 0 320.392 3.944 20 30 DHEDRM COc1cccc(CS[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC001599675885 994897156 /nfs/dbraw/zinc/89/71/56/994897156.db2.gz BINNHBIZNGYCNF-MRXNPFEDSA-N -1 0 313.378 3.626 20 30 DHEDRM COc1cc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)ccc1O ZINC000588480360 1015956061 /nfs/dbraw/zinc/95/60/61/1015956061.db2.gz UQISBQIPKFQOPG-DJWKRKHSSA-N -1 0 304.729 3.656 20 30 DHEDRM Cc1ccc2ncc(/C=C\C(=O)c3ccc([O-])c(Cl)c3)n2c1 ZINC000588480284 1015956275 /nfs/dbraw/zinc/95/62/75/1015956275.db2.gz OXVQIKZDDIUCEX-XQRVVYSFSA-N -1 0 312.756 3.898 20 30 DHEDRM O=C(/C=C\c1ccc2c(c1)CCO2)c1ccc([O-])c(Cl)c1 ZINC000588480362 1015956496 /nfs/dbraw/zinc/95/64/96/1015956496.db2.gz WCDLAYKCCNEFLG-RJRFIUFISA-N -1 0 300.741 3.877 20 30 DHEDRM C[C@H](ON=Cc1ccc(C(C)(C)C)cc1)c1nc(C(=O)[O-])co1 ZINC001593610587 995803037 /nfs/dbraw/zinc/80/30/37/995803037.db2.gz DJANNXIDBRUIIC-NSHDSACASA-N -1 0 316.357 3.782 20 30 DHEDRM COc1cc(C(=O)/C=C\c2ccoc2C(=O)[O-])ccc1SC ZINC001599350060 998077052 /nfs/dbraw/zinc/07/70/52/998077052.db2.gz UURQOTRVBMNIFN-HYXAFXHYSA-N -1 0 318.350 3.604 20 30 DHEDRM CCOc1ccc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)cc1 ZINC000255453999 1016189064 /nfs/dbraw/zinc/18/90/64/1016189064.db2.gz BDQAZQMSWWWLAX-BAQGIRSFSA-N -1 0 304.292 3.965 20 30 DHEDRM COc1ccc(C#N)cc1CNc1cccc(C(=O)[O-])c1Cl ZINC001599476519 998541118 /nfs/dbraw/zinc/54/11/18/998541118.db2.gz DBXAUWRAUXFLIW-UHFFFAOYSA-N -1 0 316.744 3.531 20 30 DHEDRM C[C@@H]1C[C@@H](CCNc2ccc(C(=O)[O-])nc2C#N)CC(C)(C)C1 ZINC001594235873 998898463 /nfs/dbraw/zinc/89/84/63/998898463.db2.gz LIVXIIVSKANIIL-CHWSQXEVSA-N -1 0 315.417 3.916 20 30 DHEDRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNc1ccc(C(=O)[O-])nc1C#N ZINC001594299327 999155955 /nfs/dbraw/zinc/15/59/55/999155955.db2.gz XNULCQUPNHGYFD-RDBSUJKOSA-N -1 0 315.417 3.772 20 30 DHEDRM Cc1cc(Nc2ccc3nc(C#N)sc3c2)cc(C(=O)[O-])c1 ZINC001211545431 1016761821 /nfs/dbraw/zinc/76/18/21/1016761821.db2.gz 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/nfs/dbraw/zinc/29/55/13/1032295513.db2.gz UTWGZKVFTFIEDQ-OCCSQVGLSA-N -1 0 309.431 3.857 20 30 DHEDRM Cc1ccc(C(=O)Nc2c(C#N)cccc2C(F)(F)F)c([O-])c1 ZINC001148500123 1032409884 /nfs/dbraw/zinc/40/98/84/1032409884.db2.gz KEBVUIIDCCKIAC-UHFFFAOYSA-N -1 0 320.270 3.843 20 30 DHEDRM Cc1c(C([O-])=C(C#N)c2nc(C(C)C)cs2)cnn1C(C)C ZINC000092715646 1032507868 /nfs/dbraw/zinc/50/78/68/1032507868.db2.gz KMQWNINLYJMUAE-GFCCVEGCSA-N -1 0 316.430 3.842 20 30 DHEDRM O=C(C=Cc1cccc(Br)n1)c1sccc1[O-] ZINC000773143196 1032577520 /nfs/dbraw/zinc/57/75/20/1032577520.db2.gz PMGVHXBTCVZFCR-SNAWJCMRSA-N -1 0 310.172 3.507 20 30 DHEDRM O=C(/C=C\c1ccn(-c2ccccc2)n1)c1cc(F)ccc1[O-] ZINC000773154886 1032582804 /nfs/dbraw/zinc/58/28/04/1032582804.db2.gz XFTLQYIWSVRCJO-CLFYSBASSA-N -1 0 308.312 3.613 20 30 DHEDRM O=C(Cc1ccccc1Cl)[N-]S(=O)(=O)C1CCCCC1 ZINC000049502297 1011940241 /nfs/dbraw/zinc/94/02/41/1011940241.db2.gz RLKCXDIKPCKYHE-UHFFFAOYSA-N -1 0 315.822 3.502 20 30 DHEDRM CC(C)(C)n1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)n1 ZINC000654968990 1012214492 /nfs/dbraw/zinc/21/44/92/1012214492.db2.gz YOKAFJVTZPVLMS-LLVKDONJSA-N -1 0 324.409 3.738 20 30 DHEDRM N#CC(=C([O-])c1ccc(C(F)F)nc1)c1nc(C2CC2)cs1 ZINC000654999498 1012267976 /nfs/dbraw/zinc/26/79/76/1012267976.db2.gz MXWAZOVERZLBSI-SNVBAGLBSA-N -1 0 319.336 3.843 20 30 DHEDRM CC1=CCC[C@@H](C)[C@@H]1C=Nn1c(=O)c2ccccc2[n-]c1=S ZINC000773190028 1032621738 /nfs/dbraw/zinc/62/17/38/1032621738.db2.gz MECUVNDSJFJZQB-TZMCWYRMSA-N -1 0 313.426 3.512 20 30 DHEDRM Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@H](C)c2ccccc2)c1 ZINC000073121574 1017207660 /nfs/dbraw/zinc/20/76/60/1017207660.db2.gz XUUGAYGQCXAJFO-AWEZNQCLSA-N -1 0 317.410 3.834 20 30 DHEDRM COc1ccc(/C=C\C(=O)c2ccc(O)cc2)c(OC(F)F)c1 ZINC000255556792 1017698031 /nfs/dbraw/zinc/69/80/31/1017698031.db2.gz DLAVBRHVFQNUIZ-UITAMQMPSA-N -1 0 320.291 3.898 20 30 DHEDRM O=C([O-])c1cccc(/C=C\C(=O)c2ccc(O)cc2)c1Cl ZINC000588558402 1017868058 /nfs/dbraw/zinc/86/80/58/1017868058.db2.gz 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1019058317 /nfs/dbraw/zinc/05/83/17/1019058317.db2.gz KPDIFAZMQQDSEB-UHFFFAOYSA-N -1 0 321.380 3.506 20 30 DHEDRM CCc1c(C)sc([N-]C(=O)c2ocnc2C(F)F)c1C#N ZINC000875297540 1032818958 /nfs/dbraw/zinc/81/89/58/1032818958.db2.gz NLYHQOFRECICAK-UHFFFAOYSA-N -1 0 311.313 3.669 20 30 DHEDRM Cc1cn2c(/C=C\C(=O)c3sccc3[O-])c(C)nc2s1 ZINC000588599250 1019285627 /nfs/dbraw/zinc/28/56/27/1019285627.db2.gz UMNGUHSAXIZDQH-ARJAWSKDSA-N -1 0 304.396 3.676 20 30 DHEDRM CCc1nc(C([O-])=C(C#N)c2ccc3ccccc3n2)c(C)o1 ZINC000671746208 1019291200 /nfs/dbraw/zinc/29/12/00/1019291200.db2.gz WCWXMWWAIYNTAI-CYBMUJFWSA-N -1 0 305.337 3.584 20 30 DHEDRM CCCc1nc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)co1 ZINC000338663123 1019597554 /nfs/dbraw/zinc/59/75/54/1019597554.db2.gz UWPYYJXEVTVCJX-SNVBAGLBSA-N -1 0 317.414 3.871 20 30 DHEDRM Cc1ccc(C#N)cc1NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000069158227 1019954287 /nfs/dbraw/zinc/95/42/87/1019954287.db2.gz JEWWQGWSJKHRMF-UHFFFAOYSA-N -1 0 314.385 3.621 20 30 DHEDRM 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DHEDRM COc1ccc(C#N)c(Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001211966788 1025889295 /nfs/dbraw/zinc/88/92/95/1025889295.db2.gz LQBFBELIXFBSIK-UHFFFAOYSA-N -1 0 302.717 3.662 20 30 DHEDRM COc1cc(C#N)c(F)cc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211966992 1025896108 /nfs/dbraw/zinc/89/61/08/1025896108.db2.gz QRXGMOSZSYMWSB-UHFFFAOYSA-N -1 0 320.707 3.801 20 30 DHEDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1cn2ccccc2n1 ZINC000806555621 1025919870 /nfs/dbraw/zinc/91/98/70/1025919870.db2.gz VENRONAYNMYGOT-VOTSOKGWSA-N -1 0 320.348 3.545 20 30 DHEDRM C=CCOc1ccc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000806559187 1025921557 /nfs/dbraw/zinc/92/15/57/1025921557.db2.gz WBVYGTYJCPTNQY-FLIBITNWSA-N -1 0 308.333 3.846 20 30 DHEDRM COc1ccsc1/C=C1/C[C@@H](C(=O)[O-])c2ccccc2C1=O ZINC000806559776 1025921574 /nfs/dbraw/zinc/92/15/74/1025921574.db2.gz FSAIHURJRWHWKP-ASCRHOAZSA-N -1 0 314.362 3.595 20 30 DHEDRM O=C([O-])[C@@H]1C/C(=C\c2ccc(F)cc2F)C(=O)c2ccccc21 ZINC000806561318 1025921842 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Cc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccccc1O ZINC000254378771 1026216729 /nfs/dbraw/zinc/21/67/29/1026216729.db2.gz YJHTWZDUHSYJBU-UHFFFAOYSA-N -1 0 310.382 3.504 20 30 DHEDRM CCOc1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2)cc1 ZINC000254849353 1026241191 /nfs/dbraw/zinc/24/11/91/1026241191.db2.gz RGZJZOPKIZBAMX-UHFFFAOYSA-N -1 0 324.409 3.889 20 30 DHEDRM CCc1ccc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)s1 ZINC000809155083 1026468885 /nfs/dbraw/zinc/46/88/85/1026468885.db2.gz OHIHCBBZGNLZJQ-QPJJXVBHSA-N -1 0 302.351 3.610 20 30 DHEDRM O=C([O-])c1cc(/C=C/C(=O)c2csc(Cl)c2)ccc1O ZINC000809157428 1026470399 /nfs/dbraw/zinc/47/03/99/1026470399.db2.gz PRIQEUHEKWODDV-HNQUOIGGSA-N -1 0 308.742 3.701 20 30 DHEDRM O=C([O-])c1cccc(NN=Cc2cscc2C(F)(F)F)c1 ZINC000811628866 1027040587 /nfs/dbraw/zinc/04/05/87/1027040587.db2.gz CFQWVDNFRCNVIT-UHFFFAOYSA-N -1 0 314.288 3.911 20 30 DHEDRM O=C([O-])c1ccccc1NN=Cc1ncc(-c2ccccc2)s1 ZINC000811635999 1027046280 /nfs/dbraw/zinc/04/62/80/1027046280.db2.gz UGUKUXRPNYEIOH-UHFFFAOYSA-N -1 0 323.377 3.954 20 30 DHEDRM Cc1ccn2ncc(C([O-])=C(C#N)c3nc(C(C)C)cs3)c2c1 ZINC000575959611 1027535426 /nfs/dbraw/zinc/53/54/26/1027535426.db2.gz UPACZRFKWJZGGC-LBPRGKRZSA-N -1 0 324.409 3.713 20 30 DHEDRM CC(=NOCCC1CC1)c1cc(Br)cc(F)c1[O-] ZINC000814244769 1027959458 /nfs/dbraw/zinc/95/94/58/1027959458.db2.gz IXGRKLBQMSYWAK-UHFFFAOYSA-N -1 0 316.170 3.835 20 30 DHEDRM COCC(=NNc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000814687401 1028153660 /nfs/dbraw/zinc/15/36/60/1028153660.db2.gz HCBIPCAOOBXCSO-UHFFFAOYSA-N -1 0 318.760 3.501 20 30 DHEDRM O=C([O-])C1(c2cccc(Cl)c2)CC(N=Nc2ccccc2)C1 ZINC000814684106 1028153827 /nfs/dbraw/zinc/15/38/27/1028153827.db2.gz DPOGILHVYISSPI-UHFFFAOYSA-N -1 0 314.772 3.924 20 30 DHEDRM CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccc(C)nc1C ZINC000814689591 1028168025 /nfs/dbraw/zinc/16/80/25/1028168025.db2.gz AKCFQYHGFZBWDJ-UHFFFAOYSA-N -1 0 317.776 3.886 20 30 DHEDRM CC(=CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2)C1CC1 ZINC000048616028 1028172758 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O=C([O-])c1cccc(C=NNCc2cccc(Cl)c2)c1Cl ZINC000814869975 1028253959 /nfs/dbraw/zinc/25/39/59/1028253959.db2.gz HUIQKWBMPGRYDP-UHFFFAOYSA-N -1 0 323.179 3.815 20 30 DHEDRM O=C([O-])c1ccc2c(c1)CCCC2N=Nc1cc(Cl)ccn1 ZINC000814897937 1028269120 /nfs/dbraw/zinc/26/91/20/1028269120.db2.gz HCWAKNLEEJWTRK-UHFFFAOYSA-N -1 0 315.760 3.586 20 30 DHEDRM Cc1cc(C)c(C(=O)[O-])cc1CN=Nc1nccnc1C1CCC1 ZINC000814932128 1028290906 /nfs/dbraw/zinc/29/09/06/1028290906.db2.gz QFYWXGHHAUYWGN-UHFFFAOYSA-N -1 0 324.384 3.505 20 30 DHEDRM CC1(C)CCCC[C@@H]1NN=Cc1cccc(C(=O)[O-])c1Cl ZINC000814916555 1028299804 /nfs/dbraw/zinc/29/98/04/1028299804.db2.gz BVRYWHIGJFFXJJ-ZDUSSCGKSA-N -1 0 308.809 3.931 20 30 DHEDRM C=CCC(F)(F)C(=O)[N-][C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000815544017 1028548502 /nfs/dbraw/zinc/54/85/02/1028548502.db2.gz GNECUCAXZFHXTC-NSHDSACASA-N -1 0 318.245 3.598 20 30 DHEDRM COCC[C@@H](Cc1cccc(-c2ccc(C#N)s2)c1)C(=O)[O-] ZINC000566572692 1028746696 /nfs/dbraw/zinc/74/66/96/1028746696.db2.gz PVHJDKNWHZDUMN-AWEZNQCLSA-N -1 0 315.394 3.567 20 30 DHEDRM Cc1c2cccc(F)c2oc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000041573854 1028756206 /nfs/dbraw/zinc/75/62/06/1028756206.db2.gz QWHQBWNJGRYWDF-ZDUSSCGKSA-N -1 0 323.327 3.777 20 30 DHEDRM O=C([N-]S(=O)(=O)c1cccs1)c1cc2ccccc2s1 ZINC000042243392 1028939053 /nfs/dbraw/zinc/93/90/53/1028939053.db2.gz LFGRFZYGHDUTAC-UHFFFAOYSA-N -1 0 323.420 3.656 20 30 DHEDRM CCc1ccc(CCC(=O)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000042243119 1028939680 /nfs/dbraw/zinc/93/96/80/1028939680.db2.gz VCBOQSLUVFVISI-UHFFFAOYSA-N -1 0 323.439 3.589 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2nn(C)c3ccccc23)n1 ZINC000528966395 1028963320 /nfs/dbraw/zinc/96/33/20/1028963320.db2.gz JQORGHQQFSWXDM-LBPRGKRZSA-N -1 0 324.409 3.643 20 30 DHEDRM Cc1ccc(C)c(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)c1 ZINC000042320494 1028964376 /nfs/dbraw/zinc/96/43/76/1028964376.db2.gz WIRMNRHEQKEZBI-ZHACJKMWSA-N -1 0 315.394 3.609 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2conc2C(C)C)n1 ZINC000528966604 1028978836 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CN(C(=O)c1cccc(C(F)(F)F)c1[O-])c1cccc(C#N)c1 ZINC001136386597 1029774371 /nfs/dbraw/zinc/77/43/71/1029774371.db2.gz JNPSYMABRVHSOM-UHFFFAOYSA-N -1 0 320.270 3.559 20 30 DHEDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C1/COc2ccccc2C1=O ZINC000794930985 1030368616 /nfs/dbraw/zinc/36/86/16/1030368616.db2.gz IGHBIPSHKFQIJV-ZSOIEALJSA-N -1 0 308.333 3.660 20 30 DHEDRM Cc1ncsc1C(=O)/C=C\c1cc(C(=O)[O-])c(C)cc1C ZINC000794936929 1030393814 /nfs/dbraw/zinc/39/38/14/1030393814.db2.gz HHPYZXHFDXFLEP-PLNGDYQASA-N -1 0 301.367 3.663 20 30 DHEDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1ccc(C#N)s1 ZINC000794944478 1030421436 /nfs/dbraw/zinc/42/14/36/1030421436.db2.gz CMTNXCDBBVPGJZ-HYXAFXHYSA-N -1 0 311.362 3.831 20 30 DHEDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1ccc(C#N)c(F)c1 ZINC000794945891 1030430744 /nfs/dbraw/zinc/43/07/44/1030430744.db2.gz LFGALRRSKVKXCB-WAYWQWQTSA-N -1 0 323.323 3.909 20 30 DHEDRM CCC(=NNc1cncnc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000794976826 1030476461 /nfs/dbraw/zinc/47/64/61/1030476461.db2.gz QYSLITDWPWBVGX-UHFFFAOYSA-N -1 0 311.172 3.715 20 30 DHEDRM C=C1CC(C)(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000868356890 1030570021 /nfs/dbraw/zinc/57/00/21/1030570021.db2.gz IWBMRKWOOWYUNR-UHFFFAOYSA-N -1 0 300.185 3.672 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC000870121522 1030926915 /nfs/dbraw/zinc/92/69/15/1030926915.db2.gz ACLUNYMRWUXRGJ-JMDOCYRQSA-N -1 0 320.392 3.660 20 30 DHEDRM N#Cc1cccc(O[N-]C(=O)C2(Cc3cccc(F)c3)CCC2)c1 ZINC000870691439 1031064651 /nfs/dbraw/zinc/06/46/51/1031064651.db2.gz LDHNFTAJTKMGQB-UHFFFAOYSA-N -1 0 324.355 3.520 20 30 DHEDRM CCOc1cc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])ccc1O ZINC000757474295 1031179204 /nfs/dbraw/zinc/17/92/04/1031179204.db2.gz ROMKHKFKSSJIQU-HYXAFXHYSA-N -1 0 320.291 3.671 20 30 DHEDRM Cc1c(NN=Cc2cnc(C3CCC3)s2)cccc1C(=O)[O-] ZINC000844622882 1031257590 /nfs/dbraw/zinc/25/75/90/1031257590.db2.gz FASIMECPOOZEST-UHFFFAOYSA-N -1 0 315.398 3.863 20 30 DHEDRM C=C[C@H](C)ONC(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000844654437 1031270234 /nfs/dbraw/zinc/27/02/34/1031270234.db2.gz RBNCWVHOGKZXKI-QWRGUYRKSA-N -1 0 323.462 3.922 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnn(C(C)(C)C)c2)n1 ZINC000080454278 1031370305 /nfs/dbraw/zinc/37/03/05/1031370305.db2.gz LMBXRXMODOWFDA-LBPRGKRZSA-N -1 0 316.430 3.708 20 30 DHEDRM CCSc1cc(Cl)ccc1C([O-])=C(C#N)c1ccncn1 ZINC000360732213 1031537634 /nfs/dbraw/zinc/53/76/34/1031537634.db2.gz PZQBJJUGXPFELH-GFCCVEGCSA-N -1 0 317.801 3.732 20 30 DHEDRM O=C([O-])c1cccc(N=NCC2([C@@H]3CCCCO3)CCC2)c1 ZINC000872325081 1031585126 /nfs/dbraw/zinc/58/51/26/1031585126.db2.gz BMOIKDMBVRCSQZ-HNNXBMFYSA-N -1 0 302.374 3.522 20 30 DHEDRM CC(C)(CN=Nc1ccc(C(=O)[O-])cc1F)[C@H]1CCCCO1 ZINC000872379995 1031595528 /nfs/dbraw/zinc/59/55/28/1031595528.db2.gz SKUVHPYTDIAJKS-CQSZACIVSA-N -1 0 308.353 3.517 20 30 DHEDRM O=C([O-])c1ccc(C=NNc2ccc(Cl)nc2)c(Cl)c1 ZINC000783848077 1031726369 /nfs/dbraw/zinc/72/63/69/1031726369.db2.gz CZNRTUSAAWELCU-UHFFFAOYSA-N -1 0 310.140 3.533 20 30 DHEDRM N#CC(C(=O)C1(CCF)CC1)=C([O-])c1cc2c(s1)CCCC2 ZINC000845833749 1031734790 /nfs/dbraw/zinc/73/47/90/1031734790.db2.gz NOLLVJFNPYXUNM-LBPRGKRZSA-N -1 0 319.401 3.658 20 30 DHEDRM Cc1cc(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)c(C)o1 ZINC000845836655 1031737518 /nfs/dbraw/zinc/73/75/18/1031737518.db2.gz KWENJPHSFJXGHF-INIZCTEOSA-N -1 0 307.349 3.520 20 30 DHEDRM C[C@@H]1CC[C@@H](C(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)C1 ZINC000845839046 1031737745 /nfs/dbraw/zinc/73/77/45/1031737745.db2.gz VLSAUFWTIVBBGU-BNOWGMLFSA-N -1 0 315.438 3.955 20 30 DHEDRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1F)c1cc(F)cc(F)c1[O-] ZINC000777918977 1031872849 /nfs/dbraw/zinc/87/28/49/1031872849.db2.gz OXJVCZNUXGMRQA-DUXPYHPUSA-N -1 0 323.226 3.614 20 30 DHEDRM CC(C)Cn1cc(C([O-])=C(C#N)c2nccc3ccccc32)cn1 ZINC000361530680 1031972185 /nfs/dbraw/zinc/97/21/85/1031972185.db2.gz KMQHTSMXYDCWKQ-QGZVFWFLSA-N -1 0 318.380 3.577 20 30 DHEDRM CC(C)(C)c1ccc(CC(=O)Nc2ccc(O)c(C#N)c2)cc1 ZINC001144868929 1032010032 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314.429 3.829 20 30 DHEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(CCCC)cc1 ZINC000916877860 1038018787 /nfs/dbraw/zinc/01/87/87/1038018787.db2.gz XZKZALDSAWQLGT-QGZVFWFLSA-N -1 0 314.429 3.658 20 30 DHEDRM N#Cc1cc(O)ccc1NC(=O)Nc1ccccc1C(F)(F)F ZINC001202164069 1038075627 /nfs/dbraw/zinc/07/56/27/1038075627.db2.gz FKZRWQKVXWXNPV-UHFFFAOYSA-N -1 0 321.258 3.927 20 30 DHEDRM Cc1cc(C(=O)Nc2ccc(C#N)cc2O)c(-n2cccc2)s1 ZINC001189304777 1038121841 /nfs/dbraw/zinc/12/18/41/1038121841.db2.gz UFYTXCOMFZDAQX-UHFFFAOYSA-N -1 0 323.377 3.677 20 30 DHEDRM C[C@H](CC#N)NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000127940763 1038225927 /nfs/dbraw/zinc/22/59/27/1038225927.db2.gz FTFQUWHXLCXYFS-LLVKDONJSA-N -1 0 314.772 3.745 20 30 DHEDRM C#Cc1ccccc1NS(=O)(=O)c1ccc(CCCC)cc1 ZINC001191248775 1038477072 /nfs/dbraw/zinc/47/70/72/1038477072.db2.gz IUAPFVWXXSUNTI-UHFFFAOYSA-N -1 0 313.422 3.811 20 30 DHEDRM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000057438044 1038635877 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C[C@@H]1CCc2[n-]n(-c3ccc(C#N)cc3C(F)(F)F)c(=O)c2C1 ZINC000601947287 1040831555 /nfs/dbraw/zinc/83/15/55/1040831555.db2.gz GSUOYOCLMBRWSZ-KOLCDFICSA-N -1 0 321.302 3.716 20 30 DHEDRM Cc1[n-]n(Cc2c(Cl)cccc2Cl)c(=O)c1CCC#N ZINC000601948137 1040831869 /nfs/dbraw/zinc/83/18/69/1040831869.db2.gz BIGZMOZAPSGFQW-JTQLQIEISA-N -1 0 310.184 3.631 20 30 DHEDRM N#Cc1ccc(-n2[n-]c3c(c2=O)CCCCC3)cc1C(F)(F)F ZINC000601941362 1040840104 /nfs/dbraw/zinc/84/01/04/1040840104.db2.gz VNUCKHSPDRBYJK-LBPRGKRZSA-N -1 0 321.302 3.860 20 30 DHEDRM CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1cnc(C)s1 ZINC000761256088 1041045666 /nfs/dbraw/zinc/04/56/66/1041045666.db2.gz YGXLWKAFGACLSF-UHFFFAOYSA-N -1 0 309.778 3.639 20 30 DHEDRM CCCc1nc(C)c(C([O-])=C(C#N)c2nccc3ccccc32)o1 ZINC000559281807 332014503 /nfs/dbraw/zinc/01/45/03/332014503.db2.gz YDWOZFQCWRFISZ-OAHLLOKOSA-N -1 0 319.364 3.974 20 30 DHEDRM Cc1ccc(Br)cc1C(=O)[C@@H](C#N)c1ccccn1 ZINC000091440413 332069049 /nfs/dbraw/zinc/06/90/49/332069049.db2.gz 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N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccsc1 ZINC000349942818 335712107 /nfs/dbraw/zinc/71/21/07/335712107.db2.gz GCZGFHCORPKZTN-UHFFFAOYSA-N -1 0 324.452 3.555 20 30 DHEDRM N#Cc1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)ccc1F ZINC000355891282 336526880 /nfs/dbraw/zinc/52/68/80/336526880.db2.gz CXVVQLVAKPYDFJ-KPKJPENVSA-N -1 0 322.295 3.854 20 30 DHEDRM CCCCOc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1 ZINC000193614991 337078502 /nfs/dbraw/zinc/07/85/02/337078502.db2.gz LJJFEPYJHFXBRN-ACCUITESSA-N -1 0 323.396 3.689 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2cnc(-c3ccco3)s2)n1 ZINC000171479929 337087459 /nfs/dbraw/zinc/08/74/59/337087459.db2.gz UKJWRYGGICEHPZ-SECBINFHSA-N -1 0 315.379 3.658 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2cc(C)nc3ccccc32)n1 ZINC000193270920 337309639 /nfs/dbraw/zinc/30/96/39/337309639.db2.gz NFUTYVWKWSQCRH-CQSZACIVSA-N -1 0 307.378 3.798 20 30 DHEDRM N#Cc1c(F)cccc1-c1ccc2c(c1)CC[C@@]21C[C@H]1C(=O)[O-] ZINC000583763843 337331617 /nfs/dbraw/zinc/33/16/17/337331617.db2.gz 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C=CC[C@@H](C(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccccc1 ZINC000488320331 339777004 /nfs/dbraw/zinc/77/70/04/339777004.db2.gz CWPHYMCZZKGOMY-CYBMUJFWSA-N -1 0 315.442 3.556 20 30 DHEDRM N#CC(=C([O-])c1cccc(F)c1C#N)c1nc2ccccc2s1 ZINC000494876648 339963327 /nfs/dbraw/zinc/96/33/27/339963327.db2.gz XTWYKFFQNKOFIE-GFCCVEGCSA-N -1 0 321.336 3.797 20 30 DHEDRM COc1ccc(-c2ccc3c(c2)CC[C@]32C[C@@H]2C(=O)[O-])c(C#N)c1 ZINC000516585001 340089231 /nfs/dbraw/zinc/08/92/31/340089231.db2.gz IFBINMNLARDVRM-QUCCMNQESA-N -1 0 319.360 3.522 20 30 DHEDRM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(CC)s2)c1 ZINC000511727545 340336310 /nfs/dbraw/zinc/33/63/10/340336310.db2.gz PXOWGKFYTAQRHT-UHFFFAOYSA-N -1 0 323.439 3.676 20 30 DHEDRM Cc1nc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c(C)s1 ZINC000178754858 340451781 /nfs/dbraw/zinc/45/17/81/340451781.db2.gz MFTAPOQHEGKAPZ-SNVBAGLBSA-N -1 0 305.428 3.830 20 30 DHEDRM CSc1ccccc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000193266627 340575295 /nfs/dbraw/zinc/57/52/95/340575295.db2.gz 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N#Cc1ccc([C@@H](C(=O)[O-])N2CCC[C@@H]2c2ccsc2)cc1 ZINC000739103336 600565408 /nfs/dbraw/zinc/56/54/08/600565408.db2.gz AATPOYNMMBJLRS-CVEARBPZSA-N -1 0 312.394 3.583 20 30 DHEDRM CCc1ccc([C@H]2CCCN2[C@@H](C(=O)[O-])c2ccc(C#N)cc2)o1 ZINC000737259796 600572639 /nfs/dbraw/zinc/57/26/39/600572639.db2.gz XXTCRDWNOIAROF-SJLPKXTDSA-N -1 0 324.380 3.676 20 30 DHEDRM CCc1ccc([C@H]2CCCN2[C@H](C(=O)[O-])c2ccc(C#N)cc2)o1 ZINC000737259794 600572764 /nfs/dbraw/zinc/57/27/64/600572764.db2.gz XXTCRDWNOIAROF-AEFFLSMTSA-N -1 0 324.380 3.676 20 30 DHEDRM COc1cccc(O)c1C=Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000738106451 600816982 /nfs/dbraw/zinc/81/69/82/600816982.db2.gz MISZHFQTSRELRX-UHFFFAOYSA-N -1 0 313.353 3.514 20 30 DHEDRM CSc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1F ZINC000738197026 600983226 /nfs/dbraw/zinc/98/32/26/600983226.db2.gz WUFLJFOHMNIKBI-HWKANZROSA-N -1 0 306.314 3.735 20 30 DHEDRM CC[C@@H](C)Oc1cccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000828764960 601302770 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O=C([O-])c1ccc(/C=C2/Cc3c(ccc(Cl)c3Cl)C2=O)[nH]1 ZINC000833312277 601331924 /nfs/dbraw/zinc/33/19/24/601331924.db2.gz NFJSIMSVTWWORL-ALCCZGGFSA-N -1 0 322.147 3.842 20 30 DHEDRM O=C([O-])c1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2)[nH]1 ZINC000833092780 601764716 /nfs/dbraw/zinc/76/47/16/601764716.db2.gz MYXNDYQIHNJVIM-DUXPYHPUSA-N -1 0 310.136 3.916 20 30 DHEDRM O=C([O-])c1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000833093022 601791437 /nfs/dbraw/zinc/79/14/37/601791437.db2.gz RHSBSLDYVHRZEF-DAFODLJHSA-N -1 0 310.136 3.916 20 30 DHEDRM O=C([O-])c1cc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)c[nH]1 ZINC000833092688 601791468 /nfs/dbraw/zinc/79/14/68/601791468.db2.gz JYXWWCADTFBXKH-RUDMXATFSA-N -1 0 324.380 3.599 20 30 DHEDRM N#Cc1ccc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])s1 ZINC000833071921 601808367 /nfs/dbraw/zinc/80/83/67/601808367.db2.gz MYFYMAQQAJRWKY-UHFFFAOYSA-N -1 0 318.379 3.509 20 30 DHEDRM N#Cc1ccsc1C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000833076924 601808394 /nfs/dbraw/zinc/80/83/94/601808394.db2.gz 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ZINC000833297619 602149578 /nfs/dbraw/zinc/14/95/78/602149578.db2.gz HMQWDPWDJCHCAT-OQYWKCLKSA-N -1 0 322.147 3.842 20 30 DHEDRM C=CCC(CC=C)C(=O)N(c1ccccc1)[C@@H](CC)C(=O)[O-] ZINC000825659923 602295000 /nfs/dbraw/zinc/29/50/00/602295000.db2.gz LFYRMMVLGZXTPX-INIZCTEOSA-N -1 0 301.386 3.651 20 30 DHEDRM C=CCN(C(=O)Nc1cccc(CN(CC)C(=O)[O-])c1)C(C)C ZINC000738490410 603342102 /nfs/dbraw/zinc/34/21/02/603342102.db2.gz SXIUHLINXJHHMS-UHFFFAOYSA-N -1 0 319.405 3.615 20 30 DHEDRM C=CCCCC(=O)N(c1ccc(CNC(=O)[O-])cc1C)C1CC1 ZINC000823496118 604049346 /nfs/dbraw/zinc/04/93/46/604049346.db2.gz CYJNYSNUQTZGQV-UHFFFAOYSA-N -1 0 316.401 3.614 20 30 DHEDRM Cc1ccoc1C(=O)/C=C\c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000832984574 604397104 /nfs/dbraw/zinc/39/71/04/604397104.db2.gz AJJUZFMKHRIXIN-PLNGDYQASA-N -1 0 314.337 3.564 20 30 DHEDRM CC(N=Nc1cc(C#N)cc(Cl)n1)[C@@H](C)CCCCC(=O)[O-] ZINC000814892001 604536627 /nfs/dbraw/zinc/53/66/27/604536627.db2.gz ZRBMKOJAJVFYCX-JTQLQIEISA-N -1 0 322.796 3.676 20 30 DHEDRM C=C(C)[C@@H](CC(=O)Nc1ccc(C(C)C)cc1C(=O)[O-])OCC ZINC000833366649 604553814 /nfs/dbraw/zinc/55/38/14/604553814.db2.gz BBFVTUYAYZZSSG-MRXNPFEDSA-N -1 0 319.401 3.818 20 30 DHEDRM C=C(C)[C@H](CC(=O)Nc1ccc(C(C)C)cc1C(=O)[O-])OCC ZINC000833366648 604553879 /nfs/dbraw/zinc/55/38/79/604553879.db2.gz BBFVTUYAYZZSSG-INIZCTEOSA-N -1 0 319.401 3.818 20 30 DHEDRM C=CCC[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000630296805 604558479 /nfs/dbraw/zinc/55/84/79/604558479.db2.gz HVBMBXUMJVNGRA-ZACQAIPSSA-N -1 0 315.413 3.701 20 30 DHEDRM C=C(C)CN(CC)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833369190 604599039 /nfs/dbraw/zinc/59/90/39/604599039.db2.gz JCZMFXONYZQHQM-UHFFFAOYSA-N -1 0 322.430 3.683 20 30 DHEDRM CCCn1nc(C)c(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)c1C ZINC000829590807 604627006 /nfs/dbraw/zinc/62/70/06/604627006.db2.gz FPESGNILCSNDQU-KTKRTIGZSA-N -1 0 312.369 3.504 20 30 DHEDRM CC(N=Nc1ccc(C(F)(F)F)cn1)c1ccc(C(=O)[O-])cc1 ZINC000825804656 604635683 /nfs/dbraw/zinc/63/56/83/604635683.db2.gz 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C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001602719054 971380654 /nfs/dbraw/zinc/38/06/54/971380654.db2.gz MPRDFOBSYPAZGF-CQSZACIVSA-N -1 0 302.374 3.656 20 30 DHEDRM C=CCC[C@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001602719053 971380931 /nfs/dbraw/zinc/38/09/31/971380931.db2.gz MPRDFOBSYPAZGF-AWEZNQCLSA-N -1 0 302.374 3.656 20 30 DHEDRM C=CCCCCCCCCNC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000861456964 955915710 /nfs/dbraw/zinc/91/57/10/955915710.db2.gz UQFYKGYHBGKOBV-HOTGVXAUSA-N -1 0 324.465 3.655 20 30 DHEDRM C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC001588439627 958321599 /nfs/dbraw/zinc/32/15/99/958321599.db2.gz DYEOVXOXGOVBKS-UHFFFAOYSA-N -1 0 309.365 3.603 20 30 DHEDRM C=CCC1(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CCCC1 ZINC001588458303 958460329 /nfs/dbraw/zinc/46/03/29/958460329.db2.gz ROZXFHLLWUHOAK-HOTGVXAUSA-N -1 0 313.397 3.552 20 30 DHEDRM C=CC1(CC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)CCCCC1 ZINC001573329508 958509559 /nfs/dbraw/zinc/50/95/59/958509559.db2.gz HNRLVIGXWXSXII-INIZCTEOSA-N -1 0 319.376 3.594 20 30 DHEDRM C=C(C)CCC(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC001344523574 962187773 /nfs/dbraw/zinc/18/77/73/962187773.db2.gz XFCPQVHISLEWPR-KRWDZBQOSA-N -1 0 311.381 3.828 20 30 DHEDRM C=C(C)c1cccc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC001573325511 962797747 /nfs/dbraw/zinc/79/77/47/962797747.db2.gz KWMDFERYFVZJQE-UHFFFAOYSA-N -1 0 322.364 3.966 20 30 DHEDRM C=CC1(CC(=O)Nc2nc(C)c(C(=O)[O-])s2)CCCCC1 ZINC001573350170 962965706 /nfs/dbraw/zinc/96/57/06/962965706.db2.gz DXEWNYFLSOZOJF-UHFFFAOYSA-N -1 0 308.403 3.615 20 30 DHEDRM C#CCCCCC(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC001588439479 964030022 /nfs/dbraw/zinc/03/00/22/964030022.db2.gz ASFUZNVTCWPVOW-INIZCTEOSA-N -1 0 307.434 3.500 20 30 DHEDRM CCCn1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cn1 ZINC000430604488 1013598084 /nfs/dbraw/zinc/59/80/84/1013598084.db2.gz QJEUTPDVGIZWGI-LBPRGKRZSA-N -1 0 316.430 3.537 20 30 DHEDRM CC(C)Oc1cccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)c1 ZINC000519989752 1013640806 /nfs/dbraw/zinc/64/08/06/1013640806.db2.gz LIHOXHRAUQBWAJ-VURMDHGXSA-N -1 0 308.337 3.609 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2cnc(C(C)(C)C)s2)n1 ZINC000049054865 1013785457 /nfs/dbraw/zinc/78/54/57/1013785457.db2.gz RWZVGWNBIFISOO-SECBINFHSA-N -1 0 305.428 3.696 20 30 DHEDRM O=C(NCCOC1CCCCCC1)c1s[n-]c(=O)c1Cl ZINC000328768161 1013797112 /nfs/dbraw/zinc/79/71/12/1013797112.db2.gz HWGINKIKJUTSMA-UHFFFAOYSA-N -1 0 318.826 3.546 20 30 DHEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C)C2)c(F)c1 ZINC000075040508 1013847829 /nfs/dbraw/zinc/84/78/29/1013847829.db2.gz ZQTNGZSKXHPXRZ-CMPLNLGQSA-N -1 0 313.394 3.606 20 30 DHEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C)C2)c(F)c1 ZINC000075040509 1013848244 /nfs/dbraw/zinc/84/82/44/1013848244.db2.gz ZQTNGZSKXHPXRZ-JQWIXIFHSA-N -1 0 313.394 3.606 20 30 DHEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C)C2)cc1C ZINC000076757887 1013853939 /nfs/dbraw/zinc/85/39/39/1013853939.db2.gz SNCJHWIIGKHGCC-FZMZJTMJSA-N -1 0 309.431 3.775 20 30 DHEDRM Cc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)ns1 ZINC000683689913 1013857620 /nfs/dbraw/zinc/85/76/20/1013857620.db2.gz SXQCBOHEHYLWSG-SECBINFHSA-N -1 0 317.370 3.690 20 30 DHEDRM C[C@@]1(CNC(=O)c2c([O-])cc(Cl)cc2Cl)CCCO1 ZINC000331246863 1013871371 /nfs/dbraw/zinc/87/13/71/1013871371.db2.gz VIZBBIQHLZNPEN-ZDUSSCGKSA-N -1 0 304.173 3.573 20 30 DHEDRM C=CCCC[C@@H](NC(=O)N(C)CCCC(=O)[O-])c1ccccc1 ZINC001263068249 969695431 /nfs/dbraw/zinc/69/54/31/969695431.db2.gz IIISRJSVTBRFES-MRXNPFEDSA-N -1 0 318.417 3.590 20 30 DHEDRM O=C(/C=C\c1ccc(Oc2cnccn2)cc1)c1ccccc1[O-] ZINC000255141294 1013918275 /nfs/dbraw/zinc/91/82/75/1013918275.db2.gz PXYXOPMBYDSIDZ-YFHOEESVSA-N -1 0 318.332 3.871 20 30 DHEDRM Cc1c(C#N)cccc1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001605074376 972699999 /nfs/dbraw/zinc/69/99/99/972699999.db2.gz NGJKDMLLMPCTSV-UHFFFAOYSA-N -1 0 323.352 3.528 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2coc(C3CC3)n2)n1 ZINC000683901808 1014100140 /nfs/dbraw/zinc/10/01/40/1014100140.db2.gz DVPUQFUHYVBYIR-SNVBAGLBSA-N -1 0 301.371 3.622 20 30 DHEDRM CCCCCCCCCNC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001603641207 973989283 /nfs/dbraw/zinc/98/92/83/973989283.db2.gz WIKYOUBSEGXALW-UHFFFAOYSA-N -1 0 307.394 3.652 20 30 DHEDRM C=CCC(CC=C)C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000621588681 975046066 /nfs/dbraw/zinc/04/60/66/975046066.db2.gz CLENCZWDHQIGRK-IRXDYDNUSA-N -1 0 313.397 3.572 20 30 DHEDRM CC(C)Oc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001591776742 975924565 /nfs/dbraw/zinc/92/45/65/975924565.db2.gz JHXSFNVDTIICCU-VMPITWQZSA-N -1 0 300.310 3.661 20 30 DHEDRM CC(C)Oc1ccc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@@H]2C)cc1C#N ZINC001591788811 975976481 /nfs/dbraw/zinc/97/64/81/975976481.db2.gz VZNZSQAYESJCAB-HEHGZKQESA-N -1 0 316.401 3.647 20 30 DHEDRM CCSc1cccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737229806 978389851 /nfs/dbraw/zinc/38/98/51/978389851.db2.gz PZDAVYCQTZOZRP-INIZCTEOSA-N -1 0 312.394 3.908 20 30 DHEDRM O=C([O-])c1cccc(NN=Cc2cnc(C3CCC3)s2)c1 ZINC000760214960 978705302 /nfs/dbraw/zinc/70/53/02/978705302.db2.gz DOKHRPPMOLSMKF-UHFFFAOYSA-N -1 0 301.371 3.555 20 30 DHEDRM O=C([O-])c1cccc(/C=C/C(=O)c2ccc(OC(F)F)cc2)c1 ZINC000765826811 978723825 /nfs/dbraw/zinc/72/38/25/978723825.db2.gz TXDYOAFICPRIQB-RUDMXATFSA-N -1 0 318.275 3.882 20 30 DHEDRM O=C([O-])c1cccc(/C=C\C(=O)c2ccc(OC(F)F)cc2)c1 ZINC000765826813 978723929 /nfs/dbraw/zinc/72/39/29/978723929.db2.gz TXDYOAFICPRIQB-WTKPLQERSA-N -1 0 318.275 3.882 20 30 DHEDRM CC(C)O[C@@H](CN=Nc1ccccc1C(=O)[O-])c1ccccc1 ZINC000792942519 978800917 /nfs/dbraw/zinc/80/09/17/978800917.db2.gz UFGFOGLLUSWREV-KRWDZBQOSA-N -1 0 312.369 3.949 20 30 DHEDRM CCc1cccc(F)c1C=NNc1ccc(C(=O)[O-])cc1OC ZINC000794523205 978813014 /nfs/dbraw/zinc/81/30/14/978813014.db2.gz DSXOFOIBRQGFFQ-UHFFFAOYSA-N -1 0 316.332 3.541 20 30 DHEDRM Cc1cccnc1[C@H]1CCCC(N=Nc2ccc(C(=O)[O-])cn2)C1 ZINC000799111352 978836015 /nfs/dbraw/zinc/83/60/15/978836015.db2.gz HRBNHELSDDKWTK-ZDUSSCGKSA-N -1 0 324.384 3.609 20 30 DHEDRM C[C@H]1C(N=Nc2nccc3sccc32)CC[C@H]1CC(=O)[O-] ZINC000814809250 978887470 /nfs/dbraw/zinc/88/74/70/978887470.db2.gz TXTVCDKCDKLBQT-ZJUUUORDSA-N -1 0 303.387 3.585 20 30 DHEDRM Cc1cc2ccccc2nc1N=NC1CC[C@@H](CC(=O)[O-])[C@@H]1C ZINC000814896151 978897246 /nfs/dbraw/zinc/89/72/46/978897246.db2.gz LFSOGISKKOMMPW-STQMWFEESA-N -1 0 311.385 3.832 20 30 DHEDRM C=C[C@H](CC(=O)Nc1ccsc1C(=O)[O-])c1ccccc1 ZINC000833372016 979172501 /nfs/dbraw/zinc/17/25/01/979172501.db2.gz ZPXHMEQFESUIDH-LLVKDONJSA-N -1 0 301.367 3.745 20 30 DHEDRM CCC(CC)CN(CCC#N)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001595111340 979456885 /nfs/dbraw/zinc/45/68/85/979456885.db2.gz GZVWGHPQSFKISO-HJWRWDBZSA-N -1 0 304.390 3.529 20 30 DHEDRM C[C@@H](CSc1c(C#N)cnc2c(Cl)cccc21)C(=O)[O-] ZINC001592830366 979554276 /nfs/dbraw/zinc/55/42/76/979554276.db2.gz PSBQDTNRPZEHOJ-QMMMGPOBSA-N -1 0 306.774 3.573 20 30 DHEDRM C=C[C@@H]1CCCCN1Cc1ccc(C(=O)[O-])c(Br)c1 ZINC000902545475 980928211 /nfs/dbraw/zinc/92/82/11/980928211.db2.gz 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ZINC001597792614 989332851 /nfs/dbraw/zinc/33/28/51/989332851.db2.gz BFPGPWRYMDYMBG-UHFFFAOYSA-N -1 0 315.354 3.596 20 30 DHEDRM CC(C)(C)Oc1ccc(NCCC(C)(C)C(=O)[O-])cc1C#N ZINC001590409256 989945471 /nfs/dbraw/zinc/94/54/71/989945471.db2.gz OATQNTUDVSREON-UHFFFAOYSA-N -1 0 304.390 3.648 20 30 DHEDRM CC(C)(C)c1csc(/C(=C\c2cccc(C#N)c2)C(=O)[O-])n1 ZINC001590527127 990140667 /nfs/dbraw/zinc/14/06/67/990140667.db2.gz TWCSKSLIPGQJAE-MDWZMJQESA-N -1 0 312.394 3.937 20 30 DHEDRM CC(C)(CC=NN=C1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC001590654755 990348732 /nfs/dbraw/zinc/34/87/32/990348732.db2.gz TXOYCHCGQBZVNF-UHFFFAOYSA-N -1 0 306.365 3.991 20 30 DHEDRM COc1cc(Nc2sc3c(c2C#N)CCC3)cc(C(=O)[O-])c1 ZINC001213585000 1015578813 /nfs/dbraw/zinc/57/88/13/1015578813.db2.gz NPZAIUWKIKKSHQ-UHFFFAOYSA-N -1 0 314.366 3.559 20 30 DHEDRM CCc1nc2cc(N=Cc3cc([N+](=O)[O-])ccc3[O-])ccc2o1 ZINC000255394711 1015593214 /nfs/dbraw/zinc/59/32/14/1015593214.db2.gz LFDYNLUEJLEDJI-UHFFFAOYSA-N -1 0 311.297 3.755 20 30 DHEDRM CC(C)(C)c1nc(C=NNc2ccc(C(=O)[O-])c(F)c2)cs1 ZINC000835009855 1015607257 /nfs/dbraw/zinc/60/72/57/1015607257.db2.gz FSMOIMAVRMUGPH-UHFFFAOYSA-N -1 0 321.377 3.724 20 30 DHEDRM CC(C)CC(N=Nc1ccc(C(=O)[O-])c(F)c1)c1ccccn1 ZINC001591104833 991730627 /nfs/dbraw/zinc/73/06/27/991730627.db2.gz KWTROGVFPBBNPE-UHFFFAOYSA-N -1 0 315.348 3.781 20 30 DHEDRM CN(Cc1cc(C#N)cs1)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001598506832 992515043 /nfs/dbraw/zinc/51/50/43/992515043.db2.gz GXBFGRBUEZAOJW-AWEZNQCLSA-N -1 0 320.801 3.531 20 30 DHEDRM CN(Cc1ccc(Cl)cc1C#N)c1ccccc1C(=O)[O-] ZINC001598517667 992637722 /nfs/dbraw/zinc/63/77/22/992637722.db2.gz GFJHGBWCOOAWCM-UHFFFAOYSA-N -1 0 300.745 3.546 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccc(C(F)F)cc2)c1 ZINC000588467373 1015749101 /nfs/dbraw/zinc/74/91/01/1015749101.db2.gz AVVRMBJWLURQFK-NVMNQCDNSA-N -1 0 306.268 3.857 20 30 DHEDRM COc1cc(Nc2ccc(C#N)c(Cl)c2F)cc(C(=O)[O-])c1 ZINC001213596732 1015772964 /nfs/dbraw/zinc/77/29/64/1015772964.db2.gz 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CC(C)c1ccc(C(=O)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000042243764 1028938305 /nfs/dbraw/zinc/93/83/05/1028938305.db2.gz CSBDJZHJIIBIPN-UHFFFAOYSA-N -1 0 309.412 3.565 20 30 DHEDRM CC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817439182 1029168127 /nfs/dbraw/zinc/16/81/27/1029168127.db2.gz JJZXZFGAWBBMGE-LBPRGKRZSA-N -1 0 321.154 3.894 20 30 DHEDRM O=C([N-]S(=O)(=O)c1ccccc1)c1csc2ccccc12 ZINC000077926321 1029170152 /nfs/dbraw/zinc/17/01/52/1029170152.db2.gz FTJDSCZPWJMFAS-UHFFFAOYSA-N -1 0 317.391 3.595 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817714061 1029243071 /nfs/dbraw/zinc/24/30/71/1029243071.db2.gz JTSXXHAKKURGRJ-IXYNUQLISA-N -1 0 320.392 3.804 20 30 DHEDRM C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1cc(Cl)nc(Cl)c1 ZINC000819828995 1029619163 /nfs/dbraw/zinc/61/91/63/1029619163.db2.gz XUUYEVMDUBTILO-SFYZADRCSA-N -1 0 316.188 3.677 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1N=NCCc1cccc(Cl)c1 ZINC000794921782 1030309965 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[O-]c1c(Cl)cc(Cl)cc1/C=N\[C@H]1CCCn2nccc21 ZINC000864347826 1034324100 /nfs/dbraw/zinc/32/41/00/1034324100.db2.gz BBEJGOBUOBYIOD-OYZNXWOWSA-N -1 0 310.184 3.850 20 30 DHEDRM C=C(Cl)C[C@H](NC(=O)Nc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000864581017 1034390569 /nfs/dbraw/zinc/39/05/69/1034390569.db2.gz IKHLFJZTQKNKGJ-ZDUSSCGKSA-N -1 0 310.781 3.527 20 30 DHEDRM CC(C)(C)n1cc(C#N)cc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174495834 1034412558 /nfs/dbraw/zinc/41/25/58/1034412558.db2.gz XNNYWLRPFGXTQZ-BQYQJAHWSA-N -1 0 309.369 3.956 20 30 DHEDRM Cc1cc(Cl)nc(Nc2cccc(/C=C/C(=O)[O-])c2)c1C#N ZINC001174496772 1034415498 /nfs/dbraw/zinc/41/54/98/1034415498.db2.gz RWXVSAWLOHKNLC-AATRIKPKSA-N -1 0 313.744 3.757 20 30 DHEDRM Cc1cc(C(=O)/C=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)oc1C ZINC000794713447 1034429598 /nfs/dbraw/zinc/42/95/98/1034429598.db2.gz NYKUFYOVNSMABR-XURPKSDJSA-N -1 0 314.337 3.644 20 30 DHEDRM C=C(Cl)C[C@@H](NC(=O)Nc1ccccc1C(C)C)C(=O)[O-] ZINC000865213831 1034552203 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C=CCOC(=O)c1ccccc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175223157 1034874262 /nfs/dbraw/zinc/87/42/62/1034874262.db2.gz DVMJPMWCLFIOTJ-UHFFFAOYSA-N -1 0 315.300 3.610 20 30 DHEDRM N#Cc1cnc(Nc2ccc(C(=O)[O-])c(Cl)c2)c(Cl)c1 ZINC001175314365 1034929371 /nfs/dbraw/zinc/92/93/71/1034929371.db2.gz SWOMYKGEVYERHJ-UHFFFAOYSA-N -1 0 308.124 3.702 20 30 DHEDRM CNc1ccc(C#N)cc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175319975 1034932476 /nfs/dbraw/zinc/93/24/76/1034932476.db2.gz KXEBTFOCILEISH-UHFFFAOYSA-N -1 0 301.733 3.695 20 30 DHEDRM N#Cc1ccc(Br)c(Nc2cccc(C(=O)[O-])c2)c1 ZINC001175334377 1034939067 /nfs/dbraw/zinc/93/90/67/1034939067.db2.gz FFECWDNJPKIFEA-UHFFFAOYSA-N -1 0 317.142 3.763 20 30 DHEDRM N#Cc1cc(Cl)c(Cl)cc1Nc1cncc(C(=O)[O-])c1 ZINC001175842798 1035131093 /nfs/dbraw/zinc/13/10/93/1035131093.db2.gz CQFSEBHKSAREET-UHFFFAOYSA-N -1 0 308.124 3.702 20 30 DHEDRM N#Cc1c(F)cc(F)cc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176587781 1035290870 /nfs/dbraw/zinc/29/08/70/1035290870.db2.gz BTLZJYYHCKPGNN-UHFFFAOYSA-N 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CC(C)c1cccc(S(=O)(=O)[N-]c2csc(C#N)c2)c1 ZINC001195120464 1036142335 /nfs/dbraw/zinc/14/23/35/1036142335.db2.gz JBNKFCCQYAFEGR-UHFFFAOYSA-N -1 0 306.412 3.544 20 30 DHEDRM N#Cc1ccc([O-])c(NC(=O)c2cc(Cl)c3ccccc3n2)c1 ZINC000774080559 1036154411 /nfs/dbraw/zinc/15/44/11/1036154411.db2.gz IGARZIHIHHVDAX-UHFFFAOYSA-N -1 0 323.739 3.718 20 30 DHEDRM O=C([O-])c1cccc(/C=C2/CSc3c(F)cccc3C2=O)c1 ZINC000774117031 1036177527 /nfs/dbraw/zinc/17/75/27/1036177527.db2.gz ZERODQXVIFVVDM-WQLSENKSSA-N -1 0 314.337 3.896 20 30 DHEDRM O=C([O-])c1cccc(/C=C2\CSc3c(F)cccc3C2=O)c1 ZINC000774117040 1036178689 /nfs/dbraw/zinc/17/86/89/1036178689.db2.gz ZERODQXVIFVVDM-XYOKQWHBSA-N -1 0 314.337 3.896 20 30 DHEDRM Cc1cc(C)c2c(c1)C(=O)/C(=C\c1cccc(C(=O)[O-])c1)CO2 ZINC000774126364 1036186283 /nfs/dbraw/zinc/18/62/83/1036186283.db2.gz KNQCDSFMUGDUDV-DHDCSXOGSA-N -1 0 308.333 3.660 20 30 DHEDRM Cc1cccc(C#N)c1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195309644 1036215476 /nfs/dbraw/zinc/21/54/76/1036215476.db2.gz 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O=C(NC[C@@H]1CCCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000331246324 334850697 /nfs/dbraw/zinc/85/06/97/334850697.db2.gz UXCJXKKUTXKPSH-QMMMGPOBSA-N -1 0 304.173 3.573 20 30 DHEDRM Cc1ccc2snc(C([O-])=C(C#N)c3cc(C)nc(C)n3)c2c1 ZINC000344720274 335275476 /nfs/dbraw/zinc/27/54/76/335275476.db2.gz GXRMESVBQGGPGO-CYBMUJFWSA-N -1 0 322.393 3.502 20 30 DHEDRM CCCCOc1ccccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000190927457 335294905 /nfs/dbraw/zinc/29/49/05/335294905.db2.gz GZJRLGBYNBCCMI-UHFFFAOYSA-N -1 0 310.353 3.695 20 30 DHEDRM N#CC(=C([O-])c1sccc1C#N)c1cc(C(F)(F)F)ccn1 ZINC000362170391 336786513 /nfs/dbraw/zinc/78/65/13/336786513.db2.gz FKZFVQMNPCAXRU-JTQLQIEISA-N -1 0 321.283 3.524 20 30 DHEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(O)c1 ZINC000182405960 337188286 /nfs/dbraw/zinc/18/82/86/337188286.db2.gz IHKHKAZPVIFSNU-LBPRGKRZSA-N -1 0 312.394 3.896 20 30 DHEDRM COc1ccc(-c2ccc(C(C)(C)C(=O)[O-])cc2C)c(C#N)c1 ZINC000584422109 337324285 /nfs/dbraw/zinc/32/42/85/337324285.db2.gz MFXMQMJSSRXKNQ-UHFFFAOYSA-N -1 0 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315.413 3.693 20 30 DHEDRM C=CCCC[C@H](NC(=O)N(C)CCCC(=O)[O-])c1ccccc1 ZINC001263068248 969695401 /nfs/dbraw/zinc/69/54/01/969695401.db2.gz IIISRJSVTBRFES-INIZCTEOSA-N -1 0 318.417 3.590 20 30 DHEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1cccc(Cl)c1 ZINC000748149054 1014040687 /nfs/dbraw/zinc/04/06/87/1014040687.db2.gz SPGGQUSVVIQQKZ-ALCCZGGFSA-N -1 0 303.701 3.850 20 30 DHEDRM CCCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000050204936 1014112331 /nfs/dbraw/zinc/11/23/31/1014112331.db2.gz NKRMKTZBKURQBW-CHWSQXEVSA-N -1 0 315.822 3.530 20 30 DHEDRM O=C([O-])c1ccc(/C=C2\CCc3ccc([N+](=O)[O-])cc3C2=O)cc1 ZINC000588598460 974965699 /nfs/dbraw/zinc/96/56/99/974965699.db2.gz FEMFYALVHNVQPE-NTEUORMPSA-N -1 0 323.304 3.506 20 30 DHEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000659166328 975765618 /nfs/dbraw/zinc/76/56/18/975765618.db2.gz KHOWPHJDXATARJ-DOTOQJQBSA-N -1 0 315.413 3.569 20 30 DHEDRM C[C@H](CC(=O)[O-])SCc1ccc(C#N)cc1C(F)(F)F ZINC001592422611 978036647 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DHEDRM C=CC(C)(C)CC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000909215093 981434045 /nfs/dbraw/zinc/43/40/45/981434045.db2.gz ZWMJSRMDENTSET-UHFFFAOYSA-N -1 0 317.410 3.818 20 30 DHEDRM CCCCCCC[C@H](C)CNC(=O)c1cccc(C(=O)[O-])n1 ZINC001595705248 982283973 /nfs/dbraw/zinc/28/39/73/982283973.db2.gz SLOXWISXSIGXMY-ZDUSSCGKSA-N -1 0 306.406 3.506 20 30 DHEDRM C=C1CCC(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)CC1 ZINC000911733429 982617721 /nfs/dbraw/zinc/61/77/21/982617721.db2.gz YFZNZPKPPACZBH-UHFFFAOYSA-N -1 0 317.385 3.857 20 30 DHEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1sccc1C ZINC000443417615 1014904221 /nfs/dbraw/zinc/90/42/21/1014904221.db2.gz LRIATCIJQRSBBG-UHFFFAOYSA-N -1 0 307.440 3.976 20 30 DHEDRM C#C[C@@H](NCc1ccsc1C(=O)[O-])c1ccc(Cl)cc1F ZINC001588377047 983354973 /nfs/dbraw/zinc/35/49/73/983354973.db2.gz IMOFPLJVFGHDMY-CYBMUJFWSA-N -1 0 323.776 3.703 20 30 DHEDRM C#Cc1ccc(CNc2cc(C(=O)[O-])cc3cccnc32)cc1 ZINC001588517658 983566100 /nfs/dbraw/zinc/56/61/00/983566100.db2.gz YIIMRZBUYHVTKZ-UHFFFAOYSA-N -1 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C=CC(C)(C)CC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001588672885 983827571 /nfs/dbraw/zinc/82/75/71/983827571.db2.gz CVHMSPLBZPYVFM-UHFFFAOYSA-N -1 0 307.415 3.794 20 30 DHEDRM C=CC(C)(C)CC(=O)Oc1cccc2c(CC(=O)[O-])cccc12 ZINC001588673115 983828810 /nfs/dbraw/zinc/82/88/10/983828810.db2.gz KAXUACBCLJZOLZ-UHFFFAOYSA-N -1 0 312.365 3.975 20 30 DHEDRM C=C[C@H](Nc1ccc(Oc2ccc(Cl)cn2)cc1)C(=O)[O-] ZINC001588702185 983918724 /nfs/dbraw/zinc/91/87/24/983918724.db2.gz LVSNOMMNHTVECG-ZDUSSCGKSA-N -1 0 304.733 3.578 20 30 DHEDRM C=CC1(CC(=O)Nc2nc(CC)c(C(=O)[O-])s2)CCCCC1 ZINC001588718802 983957633 /nfs/dbraw/zinc/95/76/33/983957633.db2.gz GLGMYEKNWRDKLH-UHFFFAOYSA-N -1 0 322.430 3.869 20 30 DHEDRM C=CC1(CC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CCCCC1 ZINC001588719436 983960218 /nfs/dbraw/zinc/96/02/18/983960218.db2.gz RYSWCUPWHFXEJB-UHFFFAOYSA-N -1 0 319.376 3.918 20 30 DHEDRM C=C[C@@H]1CCCCN1C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001588719361 983960329 /nfs/dbraw/zinc/96/03/29/983960329.db2.gz PYKKJCPVWUOPLZ-LLVKDONJSA-N -1 0 308.403 3.636 20 30 DHEDRM C=CC1(CC(=O)Nc2cnc(C)c(C(=O)[O-])c2)CCCCC1 ZINC001588719459 983960415 /nfs/dbraw/zinc/96/04/15/983960415.db2.gz TZFYZSLZWAAZJV-UHFFFAOYSA-N -1 0 302.374 3.553 20 30 DHEDRM C=CC[C@H](C(=O)OCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001588732183 984015981 /nfs/dbraw/zinc/01/59/81/984015981.db2.gz WCOGXIWPTKDYFM-KRWDZBQOSA-N -1 0 310.349 3.788 20 30 DHEDRM C=CCC(CC=C)C(=O)N1CCCc2c(C(=O)[O-])ccc(C)c21 ZINC001588737107 984028388 /nfs/dbraw/zinc/02/83/88/984028388.db2.gz DNXCENWCJKUEFT-UHFFFAOYSA-N -1 0 313.397 3.741 20 30 DHEDRM C=CCC1(C(=O)Nc2ncc(C(=O)[O-])c3ccccc32)CCC1 ZINC001588764650 984122943 /nfs/dbraw/zinc/12/29/43/984122943.db2.gz FPLRZLFBEQEKKW-UHFFFAOYSA-N -1 0 310.353 3.618 20 30 DHEDRM C=CCC1(NC(=O)Nc2cc(C(=O)[O-])ccc2C)CCCC1 ZINC001588767218 984128769 /nfs/dbraw/zinc/12/87/69/984128769.db2.gz PGASIKPTEZUCKH-UHFFFAOYSA-N -1 0 302.374 3.704 20 30 DHEDRM C=CC[C@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001588772780 984144590 /nfs/dbraw/zinc/14/45/90/984144590.db2.gz MZUMEHZZIZLVQR-JTQLQIEISA-N -1 0 324.764 3.739 20 30 DHEDRM C=CCCC(C)(C)CNC(=O)c1[nH]c(C)c(C(=O)[O-])c1CCC ZINC001588776736 984153119 /nfs/dbraw/zinc/15/31/19/984153119.db2.gz DBKZATAVMXDAEL-UHFFFAOYSA-N -1 0 320.433 3.696 20 30 DHEDRM C=CCC[C@@H](NC(=O)c1oc(C(=O)[O-])cc1C)c1ccccc1 ZINC001588778507 984160811 /nfs/dbraw/zinc/16/08/11/984160811.db2.gz CIOHNEVRTVCJNW-CQSZACIVSA-N -1 0 313.353 3.724 20 30 DHEDRM C=CCC[C@@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccco1 ZINC001588778484 984160985 /nfs/dbraw/zinc/16/09/85/984160985.db2.gz BOZFUKPMCUHEGO-CYBMUJFWSA-N -1 0 320.776 3.823 20 30 DHEDRM C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001588781803 984168484 /nfs/dbraw/zinc/16/84/84/984168484.db2.gz HZYBBLQUZSBJTL-GFCCVEGCSA-N -1 0 320.364 3.795 20 30 DHEDRM C=CCCC[C@H](NC(=O)/C(C)=C/c1ccc(Cl)cc1)C(=O)[O-] ZINC001588784710 984177356 /nfs/dbraw/zinc/17/73/56/984177356.db2.gz AHFHAAIJKNCXFS-RUMSDORHSA-N -1 0 321.804 3.669 20 30 DHEDRM C=CCCC[C@@H](NC(=O)C[C@H](c1ccccc1)C(C)C)C(=O)[O-] ZINC001588789952 984202847 /nfs/dbraw/zinc/20/28/47/984202847.db2.gz NTTMNEXKBVOQFR-DLBZAZTESA-N -1 0 317.429 3.742 20 30 DHEDRM C=CCCCCCN(C)C(=O)c1ccccc1CCC(=O)[O-] ZINC001588799939 984243069 /nfs/dbraw/zinc/24/30/69/984243069.db2.gz QVKPVKCLZGCWFS-UHFFFAOYSA-N -1 0 303.402 3.522 20 30 DHEDRM C=CCCN(OCc1ccccc1)[C@@H](C(=O)[O-])c1ccsc1 ZINC001588807233 984258579 /nfs/dbraw/zinc/25/85/79/984258579.db2.gz CTUKIVJXVJDXMY-MRXNPFEDSA-N -1 0 317.410 3.884 20 30 DHEDRM C=CCCc1ccccc1NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001588817629 984277389 /nfs/dbraw/zinc/27/73/89/984277389.db2.gz QXCHJUOINCVEDK-ZRDIBKRKSA-N -1 0 311.337 3.748 20 30 DHEDRM C=CCCc1ccccc1NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001588817951 984278005 /nfs/dbraw/zinc/27/80/05/984278005.db2.gz YGSMFKAQVXAMAW-HIFRSBDPSA-N -1 0 316.401 3.570 20 30 DHEDRM C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H](C)CC(=O)[O-] ZINC001588886732 984473461 /nfs/dbraw/zinc/47/34/61/984473461.db2.gz PPLJMKKIKIRGNF-CYBMUJFWSA-N -1 0 303.402 3.978 20 30 DHEDRM CC(=NNc1ccc(C)c(C(=O)[O-])c1)c1cc(F)cc(F)c1O ZINC001589016380 984994610 /nfs/dbraw/zinc/99/46/10/984994610.db2.gz JVAPSCXQJRQGBI-UHFFFAOYSA-N -1 0 320.295 3.513 20 30 DHEDRM CCOc1cccc([C@H](C)NCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001597150239 986926256 /nfs/dbraw/zinc/92/62/56/986926256.db2.gz PBYNYXQOXBJSAW-ZDUSSCGKSA-N -1 0 324.380 3.506 20 30 DHEDRM CCC(=NNc1ccc(C)c(C(=O)[O-])c1)c1ccc(C#N)cc1 ZINC001594693882 987104430 /nfs/dbraw/zinc/10/44/30/987104430.db2.gz FUBZAZHADUVZER-UHFFFAOYSA-N -1 0 307.353 3.791 20 30 DHEDRM CC(C)(C)C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)[O-] ZINC001589760770 988086867 /nfs/dbraw/zinc/08/68/67/988086867.db2.gz WVPVOUVTUFMXBR-CABCVRRESA-N -1 0 317.385 3.507 20 30 DHEDRM CC(C)(C)C[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(=O)[O-] ZINC001589760840 988087148 /nfs/dbraw/zinc/08/71/48/988087148.db2.gz WVPVOUVTUFMXBR-LSDHHAIUSA-N -1 0 317.385 3.507 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])C=Cc2ccccc2Cl)n1 ZINC000255369513 1015440347 /nfs/dbraw/zinc/44/03/47/1015440347.db2.gz NGMNBMJVRAVBHB-DGMVEKRQSA-N -1 0 302.786 3.995 20 30 DHEDRM CCc1oc(C(=O)[O-])cc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC001597761446 989187936 /nfs/dbraw/zinc/18/79/36/989187936.db2.gz FVAKYTYGWCGTKD-GFCCVEGCSA-N -1 0 312.369 3.605 20 30 DHEDRM C[C@@H]1CCC[C@@H](CC(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)C1 ZINC000329095045 1015639235 /nfs/dbraw/zinc/63/92/35/1015639235.db2.gz KQNFZNHTJKSOFW-VXGBXAGGSA-N -1 0 314.389 3.982 20 30 DHEDRM C[C@@H]1CCC[C@H](C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)C1 ZINC000329087466 1015637267 /nfs/dbraw/zinc/63/72/67/1015637267.db2.gz HJJIFTOIBHSHIT-PWSUYJOCSA-N -1 0 300.362 3.592 20 30 DHEDRM CC(C)[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc21 ZINC001591092875 991649768 /nfs/dbraw/zinc/64/97/68/991649768.db2.gz GAQRMFXFOZTKSL-HKUYNNGSSA-N -1 0 320.392 3.944 20 30 DHEDRM N#CC(=C([O-])c1cc2[nH]ccc2s1)c1cnc2ccccc2n1 ZINC000361841488 1032122597 /nfs/dbraw/zinc/12/25/97/1032122597.db2.gz DJVDBOLMZCHLFR-SNVBAGLBSA-N -1 0 318.361 3.663 20 30 DHEDRM CC1(C)CCCN(Cc2cccc(C(=O)[O-])c2Cl)[C@@H]1C#N ZINC001593910330 996791438 /nfs/dbraw/zinc/79/14/38/996791438.db2.gz KYOOPAHYVNANJW-CYBMUJFWSA-N -1 0 306.793 3.552 20 30 DHEDRM O=C(/C=C\c1cc2c(c(Cl)c1)OCO2)c1ccc([O-])c(F)c1 ZINC000728438136 1016142423 /nfs/dbraw/zinc/14/24/23/1016142423.db2.gz AVILYCXNDCICJO-IWQZZHSRSA-N -1 0 320.703 3.810 20 30 DHEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)C)c(F)c1 ZINC000075040488 1016681164 /nfs/dbraw/zinc/68/11/64/1016681164.db2.gz DJPOMTIZRPPBMI-LBPRGKRZSA-N -1 0 315.410 3.852 20 30 DHEDRM O=C(C=Cc1nccn1Cc1ccccc1)c1sccc1[O-] ZINC000773143177 1032577179 /nfs/dbraw/zinc/57/71/79/1032577179.db2.gz ORILEAYZAXSKOV-SREVYHEPSA-N -1 0 310.378 3.595 20 30 DHEDRM O=C(C=Cc1cnc(-c2ccccc2)nc1)c1sccc1[O-] ZINC000773151183 1032579052 /nfs/dbraw/zinc/57/90/52/1032579052.db2.gz VWXNXNZDRPCORL-SREVYHEPSA-N -1 0 308.362 3.807 20 30 DHEDRM CC(C)S(=O)(=O)[N-]C(=O)[C@@H](C)Sc1ccccc1Cl ZINC000049418184 1011902059 /nfs/dbraw/zinc/90/20/59/1011902059.db2.gz SXOVLYAEMKDAFQ-SECBINFHSA-N -1 0 321.851 3.515 20 30 DHEDRM N#Cc1ccccc1/C=C(/CC(=O)[O-])c1nc2ccccc2o1 ZINC000339411455 1012029034 /nfs/dbraw/zinc/02/90/34/1012029034.db2.gz NXBNMCNDMJTWRE-ZROIWOOFSA-N -1 0 304.305 3.715 20 30 DHEDRM N#Cc1cc(O)ccc1Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211490431 1012099169 /nfs/dbraw/zinc/09/91/69/1012099169.db2.gz XQTAUWPWIWYKAA-UHFFFAOYSA-N -1 0 322.242 3.724 20 30 DHEDRM N#CC(=C([O-])c1noc2c1CCCCC2)c1nc2ccccc2o1 ZINC000187290857 1012459284 /nfs/dbraw/zinc/45/92/84/1012459284.db2.gz KIGLFMLBOLZTIM-LBPRGKRZSA-N -1 0 321.336 3.575 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1N=NC[C@H]1C(C)=CCC[C@H]1C ZINC000773205809 1032633851 /nfs/dbraw/zinc/63/38/51/1032633851.db2.gz ASMZJMCBWVMQJA-OCCSQVGLSA-N -1 0 302.374 3.784 20 30 DHEDRM CCN(C)c1ccc(C(C)=[NH+][N-]c2cccc(C(=O)[O-])c2)cc1 ZINC000748074346 1012499867 /nfs/dbraw/zinc/49/98/67/1012499867.db2.gz HPUMTQYTNLIWOK-UHFFFAOYSA-N -1 0 311.385 3.677 20 30 DHEDRM COc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)c1 ZINC000076842785 1017423633 /nfs/dbraw/zinc/42/36/33/1017423633.db2.gz KWPMMPSLGBMIFH-CQSZACIVSA-N -1 0 306.321 3.635 20 30 DHEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N/C[C@@H](O)c1ccsc1 ZINC000304264300 1017478409 /nfs/dbraw/zinc/47/84/09/1017478409.db2.gz GOLMYTYOYWTUMG-CPSJTODCSA-N -1 0 316.209 3.913 20 30 DHEDRM CCc1noc(C)c1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000048823236 1017588329 /nfs/dbraw/zinc/58/83/29/1017588329.db2.gz RROKTGSUBJQHME-SNVBAGLBSA-N -1 0 311.366 3.645 20 30 DHEDRM N#CC(=C([O-])c1noc2c1CCCC2)c1nc2ccccc2s1 ZINC000048824832 1017593653 /nfs/dbraw/zinc/59/36/53/1017593653.db2.gz OQVLNDSEPUDJSM-NSHDSACASA-N -1 0 323.377 3.653 20 30 DHEDRM O=C([O-])c1cccc(/C=C2/Cc3ccc(F)cc3C2=O)c1Cl ZINC000588559307 1017871876 /nfs/dbraw/zinc/87/18/76/1017871876.db2.gz BVMACJSVXFQTHW-XFFZJAGNSA-N -1 0 316.715 4.000 20 30 DHEDRM Cc1cccc2c1OCC[C@H]2/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000588565377 1017952285 /nfs/dbraw/zinc/95/22/85/1017952285.db2.gz KKOAUHNGIFZZQC-YQYFLZKSSA-N -1 0 312.325 3.552 20 30 DHEDRM CC(=NNc1ccc(F)cc1C)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000750938039 1018310060 /nfs/dbraw/zinc/31/00/60/1018310060.db2.gz AHPAQAYHDOEUMD-UHFFFAOYSA-N -1 0 303.293 3.584 20 30 DHEDRM COc1cccc(F)c1[C@H](C)/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000741845933 1018469027 /nfs/dbraw/zinc/46/90/27/1018469027.db2.gz ZNTNJOMJEZKNGT-OAOMGELKSA-N -1 0 318.304 3.628 20 30 DHEDRM C=C(C)[C@H](NC(=O)c1cccc(F)c1[O-])c1ccc(F)c(F)c1 ZINC001128249696 1019244759 /nfs/dbraw/zinc/24/47/59/1019244759.db2.gz ZGFVQPJJSWNSAW-HNNXBMFYSA-N -1 0 321.298 3.857 20 30 DHEDRM CC[C@@H](c1ccccc1)N(CC)C(=O)c1[n-]c(=O)c(C#N)cc1C ZINC001626055552 1019326039 /nfs/dbraw/zinc/32/60/39/1019326039.db2.gz ILZHCSGWBSQNDZ-INIZCTEOSA-N -1 0 323.396 3.581 20 30 DHEDRM O=C([O-])c1ccc(C=NOc2ccccc2C(F)(F)F)cc1 ZINC000606527636 1019543988 /nfs/dbraw/zinc/54/39/88/1019543988.db2.gz GSURGZXUNNXXET-UHFFFAOYSA-N -1 0 309.243 3.817 20 30 DHEDRM CSC1(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1 ZINC000588610457 1019611350 /nfs/dbraw/zinc/61/13/50/1019611350.db2.gz LVXMLXCZKMTXQH-CHHVJCJISA-N -1 0 314.794 3.658 20 30 DHEDRM CC[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1nc2ccccc2[nH]1 ZINC000727265131 1019680900 /nfs/dbraw/zinc/68/09/00/1019680900.db2.gz JAZNDKNBPAXEOG-CCOVPTLTSA-N -1 0 324.340 3.747 20 30 DHEDRM Cc1oc(C2CC2)nc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000671746011 1019905489 /nfs/dbraw/zinc/90/54/89/1019905489.db2.gz GKLNIORSMZETEE-AWEZNQCLSA-N -1 0 317.348 3.899 20 30 DHEDRM O=C([O-])C(F)(F)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1 ZINC000730732679 1020018324 /nfs/dbraw/zinc/01/83/24/1020018324.db2.gz MZGJNFWSWAZVQV-DHZHZOJOSA-N -1 0 318.275 3.639 20 30 DHEDRM CCSc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cn1 ZINC000070034237 1020036397 /nfs/dbraw/zinc/03/63/97/1020036397.db2.gz IPICQVBRPSKEQB-LBPRGKRZSA-N -1 0 323.377 3.825 20 30 DHEDRM C=CC(C)(C)CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000892424915 1020216054 /nfs/dbraw/zinc/21/60/54/1020216054.db2.gz SPBYCWLCOSIKAT-CQSZACIVSA-N -1 0 308.381 3.970 20 30 DHEDRM C=CCCC(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000073534043 1020241618 /nfs/dbraw/zinc/24/16/18/1020241618.db2.gz HMLBAJJFFNMNEF-UHFFFAOYSA-N -1 0 315.394 3.965 20 30 DHEDRM CC(C)c1ocnc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000732494509 1020243571 /nfs/dbraw/zinc/24/35/71/1020243571.db2.gz OPCUDEYQHDJOEF-ZDUSSCGKSA-N -1 0 305.337 3.836 20 30 DHEDRM CCc1ncsc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647378550 1020248822 /nfs/dbraw/zinc/24/88/22/1020248822.db2.gz FBNFYTXAWYZFOH-VIFPVBQESA-N -1 0 303.412 3.529 20 30 DHEDRM CSc1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)n1 ZINC000647380380 1020263061 /nfs/dbraw/zinc/26/30/61/1020263061.db2.gz LBSJDOGZUHNHAY-JTQLQIEISA-N -1 0 315.423 3.627 20 30 DHEDRM O=C([O-])COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1 ZINC000733205425 1020346334 /nfs/dbraw/zinc/34/63/34/1020346334.db2.gz VDBKPXAIYGSMTB-CMDGGOBGSA-N -1 0 316.740 3.700 20 30 DHEDRM O=C([O-])COc1cccc(/C=C/C(=O)c2c[nH]c3ccccc23)c1 ZINC000733206286 1020354787 /nfs/dbraw/zinc/35/47/87/1020354787.db2.gz FWKOLLIKKPTEMZ-CMDGGOBGSA-N -1 0 321.332 3.527 20 30 DHEDRM O=C(/C=C/c1c(Cl)nc2sccn12)c1ccccc1[O-] ZINC000156598130 1020366444 /nfs/dbraw/zinc/36/64/44/1020366444.db2.gz UEISNLBRZDHJTD-AATRIKPKSA-N -1 0 304.758 3.651 20 30 DHEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc2ccccc2c1 ZINC000073837438 1020393470 /nfs/dbraw/zinc/39/34/70/1020393470.db2.gz PCGSDBNEGUZBKH-UHFFFAOYSA-N -1 0 305.399 3.663 20 30 DHEDRM CCC(CC)S(=O)(=O)[N-]C(=O)CSc1ccc(C)cc1 ZINC000073838189 1020401841 /nfs/dbraw/zinc/40/18/41/1020401841.db2.gz NGALKFZGTAQSBO-UHFFFAOYSA-N -1 0 315.460 3.562 20 30 DHEDRM CCC(CC)S(=O)(=O)[N-]C(=O)C[C@H](C)c1ccccc1F ZINC000073837701 1020405040 /nfs/dbraw/zinc/40/50/40/1020405040.db2.gz LWTUYIBXDSZKGX-NSHDSACASA-N -1 0 315.410 3.794 20 30 DHEDRM Cc1c(C#N)cccc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000338677804 1020413859 /nfs/dbraw/zinc/41/38/59/1020413859.db2.gz UJFKUTTYTSEWJF-AWEZNQCLSA-N -1 0 309.394 3.937 20 30 DHEDRM O=C(/C=C/c1ccn(-c2ccccc2)n1)c1ccc([O-])c(F)c1 ZINC000179612029 1020414593 /nfs/dbraw/zinc/41/45/93/1020414593.db2.gz IUIWIYVKDIBFLL-VQHVLOKHSA-N -1 0 308.312 3.613 20 30 DHEDRM CCn1nccc1/C=C/C(=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000766034335 1020513742 /nfs/dbraw/zinc/51/37/42/1020513742.db2.gz QXLFTFGWCWVNJD-ONEGZZNKSA-N -1 0 311.168 3.812 20 30 DHEDRM CCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000057531101 1020551675 /nfs/dbraw/zinc/55/16/75/1020551675.db2.gz WAAKHECYDYYAMR-UHFFFAOYSA-N -1 0 317.410 3.559 20 30 DHEDRM CC(C)(C)Oc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188534415 1020554630 /nfs/dbraw/zinc/55/46/30/1020554630.db2.gz FBTFEZRVNBDYOG-UHFFFAOYSA-N -1 0 310.353 3.693 20 30 DHEDRM CC(C)(C)[C@@H]1OCCC[C@H]1C/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000255867300 1020576432 /nfs/dbraw/zinc/57/64/32/1020576432.db2.gz FEQASHHQZNHOAF-VYCWEOEBSA-N -1 0 320.389 3.561 20 30 DHEDRM C=CCN(Cc1cccs1)C(=O)c1c([O-])cc(F)cc1F ZINC000066042147 1020673931 /nfs/dbraw/zinc/67/39/31/1020673931.db2.gz DAKNANMEOIZWGY-UHFFFAOYSA-N -1 0 309.337 3.560 20 30 DHEDRM CC(C)n1ncc2cc(N=Cc3cc([N+](=O)[O-])ccc3[O-])ccc21 ZINC000735229198 1020704564 /nfs/dbraw/zinc/70/45/64/1020704564.db2.gz UWBHCSYNEPOXNX-UHFFFAOYSA-N -1 0 324.340 3.982 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\CCc2cc3ccccc3o2)c1 ZINC000739426826 1020909118 /nfs/dbraw/zinc/90/91/18/1020909118.db2.gz NISCHMAOCCHIAA-WQRHYEAKSA-N -1 0 310.309 3.708 20 30 DHEDRM N#CC(=C([O-])c1ncsc1C1CC1)c1nc2ccccc2o1 ZINC000892553209 1020986513 /nfs/dbraw/zinc/98/65/13/1020986513.db2.gz JOPLDYAFGRWTEM-SNVBAGLBSA-N -1 0 309.350 3.652 20 30 DHEDRM Cc1cc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)cc(C)c1F ZINC000741467869 1021009777 /nfs/dbraw/zinc/00/97/77/1021009777.db2.gz RBQQUNTXFQAZRC-HWKANZROSA-N -1 0 315.300 3.952 20 30 DHEDRM O=C(/C=C/c1cnc2ccc(Cl)cn12)c1ccc([O-])c(F)c1 ZINC000737442393 1021038031 /nfs/dbraw/zinc/03/80/31/1021038031.db2.gz APFDNVRDKQBRHS-HWKANZROSA-N -1 0 316.719 3.729 20 30 DHEDRM Cc1ccc(N=Cc2cc(Cl)cc(Cl)c2[O-])cc1C(N)=O ZINC000255905968 1021091353 /nfs/dbraw/zinc/09/13/53/1021091353.db2.gz RZQFNHSPFBQUQD-UHFFFAOYSA-N -1 0 323.179 3.857 20 30 DHEDRM O=[N+]([O-])c1cc(Cl)cc(C=Nc2nc3ccccc3[nH]2)c1[O-] ZINC000255917565 1021124154 /nfs/dbraw/zinc/12/41/54/1021124154.db2.gz ABZWBIVIXOYLCT-UHFFFAOYSA-N -1 0 316.704 3.581 20 30 DHEDRM O=C1c2ccc(Cl)cc2C/C1=C\c1ccc([O-])c([N+](=O)[O-])c1 ZINC000742437450 1021125692 /nfs/dbraw/zinc/12/56/92/1021125692.db2.gz NTRUNYUZEYPAEK-VZUCSPMQSA-N -1 0 315.712 3.776 20 30 DHEDRM C#CCCCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000180733101 1021158058 /nfs/dbraw/zinc/15/80/58/1021158058.db2.gz QDXXVDUPDFRZSL-OAHLLOKOSA-N -1 0 306.365 3.562 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2sccc2OC(F)F)n1 ZINC000105754017 1021170538 /nfs/dbraw/zinc/17/05/38/1021170538.db2.gz MJCRNJJKAWSIOH-SSDOTTSWSA-N -1 0 314.338 3.605 20 30 DHEDRM O=C(/C=C\c1ccc(Br)cc1)c1ccc(O)cc1[O-] ZINC000214259644 1021190131 /nfs/dbraw/zinc/19/01/31/1021190131.db2.gz LYUNGAMWEXGUOU-BAQGIRSFSA-N -1 0 319.154 3.756 20 30 DHEDRM C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC000659181222 1021233712 /nfs/dbraw/zinc/23/37/12/1021233712.db2.gz DQFPLADXKDYKHJ-CZUORRHYSA-N -1 0 315.413 3.523 20 30 DHEDRM C[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1cccc(C#N)c1 ZINC000618462039 1021393727 /nfs/dbraw/zinc/39/37/27/1021393727.db2.gz WMUIDVZSJZPZDT-VIFPVBQESA-N -1 0 318.735 3.547 20 30 DHEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc2sccc2s1 ZINC000918485801 1021532794 /nfs/dbraw/zinc/53/27/94/1021532794.db2.gz ZTYIXMRLWFHBTB-SNVBAGLBSA-N -1 0 320.439 3.592 20 30 DHEDRM CC1(C)CC[C@@H]1C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000851109727 1021741688 /nfs/dbraw/zinc/74/16/88/1021741688.db2.gz LVQBPNYWODUYHN-CHWSQXEVSA-N -1 0 315.438 3.955 20 30 DHEDRM O=C([O-])c1cc(N=NC2CCc3ccccc3C2)ccc1Cl ZINC000745843415 1021789799 /nfs/dbraw/zinc/78/97/99/1021789799.db2.gz HAVQHANXRMAXRW-UHFFFAOYSA-N -1 0 314.772 3.995 20 30 DHEDRM Cc1oc(C2CC2)nc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000556915622 1021945763 /nfs/dbraw/zinc/94/57/63/1021945763.db2.gz NNMGALMEWDARER-GFCCVEGCSA-N -1 0 320.352 3.535 20 30 DHEDRM CCCCCCCC[C@H](C)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000851606128 1021951442 /nfs/dbraw/zinc/95/14/42/1021951442.db2.gz QRYXUUZQZZDHTD-ARFHVFGLSA-N -1 0 311.466 3.942 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\[C@H]2CCc3cc(F)ccc32)c1 ZINC000920177920 1022077462 /nfs/dbraw/zinc/07/74/62/1022077462.db2.gz MHWPVQCLSGVWDJ-QJVAEYLJSA-N -1 0 300.289 3.546 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\CCCn2ccc3ccccc32)c1 ZINC000920944509 1022193285 /nfs/dbraw/zinc/19/32/85/1022193285.db2.gz MYZNCIQSCUFZHD-UYRXBGFRSA-N -1 0 323.352 3.764 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/CCc2ccccc2Cl)c1 ZINC000921261435 1022237818 /nfs/dbraw/zinc/23/78/18/1022237818.db2.gz PHHZGPJSTQGNRG-LICLKQGHSA-N -1 0 304.733 3.615 20 30 DHEDRM CC(C)Oc1cccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000921268854 1022240503 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CC[C@@H](NN=Cc1ccc(-c2cccc(Cl)c2)s1)C(=O)[O-] ZINC000793072004 1024878603 /nfs/dbraw/zinc/87/86/03/1024878603.db2.gz LAUGDZYSDNIVEB-CYBMUJFWSA-N -1 0 322.817 3.855 20 30 DHEDRM CC[C@H](NN=Cc1ccc(-c2ccc(Cl)cc2)s1)C(=O)[O-] ZINC000793072498 1024879458 /nfs/dbraw/zinc/87/94/58/1024879458.db2.gz SWDCPICYZNXOFK-ZDUSSCGKSA-N -1 0 322.817 3.855 20 30 DHEDRM CC[C@H](NN=C(C)CC(C)(C)c1c[nH]c2ccccc21)C(=O)[O-] ZINC000793081484 1024883929 /nfs/dbraw/zinc/88/39/29/1024883929.db2.gz LJLMYBDWYBEPSD-HNNXBMFYSA-N -1 0 315.417 3.664 20 30 DHEDRM O=C([O-])c1ccc(C=NNc2cccc(Cl)n2)c(Cl)c1 ZINC000793174098 1024921636 /nfs/dbraw/zinc/92/16/36/1024921636.db2.gz IUTNDDIEZVLINU-UHFFFAOYSA-N -1 0 310.140 3.533 20 30 DHEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)co1 ZINC000187268849 1024986508 /nfs/dbraw/zinc/98/65/08/1024986508.db2.gz XHBMHQFTKGRJTP-LLVKDONJSA-N -1 0 315.279 3.823 20 30 DHEDRM N#CC(=C([O-])c1occ2c1CCC2)c1nc2ccccc2s1 ZINC000353418111 1025061881 /nfs/dbraw/zinc/06/18/81/1025061881.db2.gz 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3.595 20 30 DHEDRM COc1ccc(/C=C\C(=O)c2cc(F)ccc2[O-])c(C)c1OC ZINC000806573129 1025929133 /nfs/dbraw/zinc/92/91/33/1025929133.db2.gz FUJUUECRRPBZCB-DAXSKMNVSA-N -1 0 316.328 3.753 20 30 DHEDRM CCc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)s1 ZINC000051899914 1026040837 /nfs/dbraw/zinc/04/08/37/1026040837.db2.gz IACGVJKLECDHDJ-JTQLQIEISA-N -1 0 311.366 3.645 20 30 DHEDRM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000230333139 1026099630 /nfs/dbraw/zinc/09/96/30/1026099630.db2.gz FMUPDCXUAQAURW-UHFFFAOYSA-N -1 0 306.412 3.544 20 30 DHEDRM CC#CCCCC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807838056 1026131839 /nfs/dbraw/zinc/13/18/39/1026131839.db2.gz JUMJPEVFLDPJIG-UHFFFAOYSA-N -1 0 300.185 3.509 20 30 DHEDRM Cc1nnc(NCc2cc(Cl)cc(Cl)c2[O-])c(C#N)c1C ZINC000808086392 1026199430 /nfs/dbraw/zinc/19/94/30/1026199430.db2.gz BPTDKBNOTFHEPD-UHFFFAOYSA-N -1 0 323.183 3.590 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1CC12CCCC2 ZINC000747480162 1026256856 /nfs/dbraw/zinc/25/68/56/1026256856.db2.gz 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ZINC000028458493 1026998140 /nfs/dbraw/zinc/99/81/40/1026998140.db2.gz RAVYKXMTKXHXOA-UHFFFAOYSA-N -1 0 323.801 3.650 20 30 DHEDRM CC(=NOC/C=C\Cl)c1cc(Br)cc(F)c1[O-] ZINC000811668230 1027058414 /nfs/dbraw/zinc/05/84/14/1027058414.db2.gz MAKNQNMSTVQLBX-HXPSRMRWSA-N -1 0 322.561 3.787 20 30 DHEDRM O=C([O-])c1csc(/C=C/C(=O)c2nccc3ccccc32)c1 ZINC000811698014 1027069989 /nfs/dbraw/zinc/06/99/89/1027069989.db2.gz HBLNEHATBZWQRA-AATRIKPKSA-N -1 0 309.346 3.891 20 30 DHEDRM CC(=O)Nc1ccc(/C=C/C(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000156682076 1027142296 /nfs/dbraw/zinc/14/22/96/1027142296.db2.gz NPQAQNMALPEGCU-XBXARRHUSA-N -1 0 315.756 3.900 20 30 DHEDRM CC(=NOC1CCC1)c1cc(Br)cc(F)c1[O-] ZINC000812236329 1027217394 /nfs/dbraw/zinc/21/73/94/1027217394.db2.gz KTWFCJHHEJTYCB-UHFFFAOYSA-N -1 0 302.143 3.587 20 30 DHEDRM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000157991280 1027407986 /nfs/dbraw/zinc/40/79/86/1027407986.db2.gz JULFEGNIAKRWEE-UHFFFAOYSA-N -1 0 318.373 3.622 20 30 DHEDRM Cc1nc(C2CC2)oc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000577454305 1027774842 /nfs/dbraw/zinc/77/48/42/1027774842.db2.gz OXVJNOVTHYYBQH-HNNXBMFYSA-N -1 0 317.348 3.899 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/[C@H]2C[C@H](c3ccc(F)cc3)C2)c1 ZINC000814184354 1027942541 /nfs/dbraw/zinc/94/25/41/1027942541.db2.gz ZUYSKVJYYWCGAX-RKAQDYNYSA-N -1 0 314.316 3.805 20 30 DHEDRM CC(=NOCC1CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000814241874 1027967527 /nfs/dbraw/zinc/96/75/27/1027967527.db2.gz XBEXGUSKVUXYDF-UHFFFAOYSA-N -1 0 318.598 3.959 20 30 DHEDRM Cc1c(C=NNc2cccc(C(=O)[O-])c2)n(C)c2ccccc12 ZINC000814687602 1028153752 /nfs/dbraw/zinc/15/37/52/1028153752.db2.gz NADAGDIRYZSUSK-UHFFFAOYSA-N -1 0 307.353 3.631 20 30 DHEDRM COC1(CC(C)N=Nc2ccc(Cl)c(C(=O)[O-])c2)CCC1 ZINC000814690010 1028171456 /nfs/dbraw/zinc/17/14/56/1028171456.db2.gz QCLLICJRQPOZAF-UHFFFAOYSA-N -1 0 310.781 3.785 20 30 DHEDRM Cc1ccc(C)c(N=NC2CC(C(=O)[O-])(c3ccccc3)C2)c1 ZINC000814753349 1028196190 /nfs/dbraw/zinc/19/61/90/1028196190.db2.gz 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1028239911 /nfs/dbraw/zinc/23/99/11/1028239911.db2.gz QFBLBLHTOJJFKV-HOCLYGCPSA-N -1 0 316.445 3.722 20 30 DHEDRM CCCc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)o1 ZINC000578827589 1028252071 /nfs/dbraw/zinc/25/20/71/1028252071.db2.gz SHPSJQOFYWTJNL-NSHDSACASA-N -1 0 309.325 3.567 20 30 DHEDRM Cc1cccc(CNN=C2CC[C@H](C(=O)[O-])C(C)(C)[C@@H]2C)c1 ZINC000814873274 1028254068 /nfs/dbraw/zinc/25/40/68/1028254068.db2.gz UQBFVWOPDDYCMP-UKRRQHHQSA-N -1 0 302.418 3.598 20 30 DHEDRM C[C@@H]1CC(=NOc2ccccc2C(F)(F)F)CC[C@H]1C(=O)[O-] ZINC000814886940 1028262067 /nfs/dbraw/zinc/26/20/67/1028262067.db2.gz CYUUKFMEUCKVRP-MWLCHTKSSA-N -1 0 315.291 3.961 20 30 DHEDRM Cc1cc2ccccc2nc1N=NC(C)CC1(C(=O)[O-])CCC1 ZINC000814896411 1028264960 /nfs/dbraw/zinc/26/49/60/1028264960.db2.gz XEYNAWMVVLVPEG-UHFFFAOYSA-N -1 0 311.385 3.976 20 30 DHEDRM Cc1cc(C)c(C(=O)[O-])cc1C=NOCc1ccc(F)cc1 ZINC000814903478 1028271070 /nfs/dbraw/zinc/27/10/70/1028271070.db2.gz LMXACJHAMOWDLR-UHFFFAOYSA-N -1 0 301.317 3.691 20 30 DHEDRM CC(=NOC1CCCCC1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814910527 1028276749 /nfs/dbraw/zinc/27/67/49/1028276749.db2.gz WJUYXYOYPBBOIJ-ZDUSSCGKSA-N -1 0 305.374 3.612 20 30 DHEDRM C[C@H]1C(N=Nc2cccc(Cl)n2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814939196 1028295050 /nfs/dbraw/zinc/29/50/50/1028295050.db2.gz HQBBXGIDRHEJQI-VHSXEESVSA-N -1 0 309.797 3.660 20 30 DHEDRM CCOc1ccc(NN=C(C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000814984743 1028320987 /nfs/dbraw/zinc/32/09/87/1028320987.db2.gz GVGNUFPHXWGPMM-UHFFFAOYSA-N -1 0 315.329 3.535 20 30 DHEDRM Cc1cc(CC(C)(C)C(=O)[O-])ccc1-c1ccc(C#N)cc1CO ZINC000579127657 1028330219 /nfs/dbraw/zinc/33/02/19/1028330219.db2.gz HKHHZSFPRQPKSG-UHFFFAOYSA-N -1 0 323.392 3.679 20 30 DHEDRM N#Cc1ccc([O-])c(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1 ZINC000748003478 1028526263 /nfs/dbraw/zinc/52/62/63/1028526263.db2.gz XZWVEFFMWAWICY-UHFFFAOYSA-N -1 0 311.728 3.651 20 30 DHEDRM COc1cccc(C/N=C/c2cc(Cl)cc(Cl)c2[O-])n1 ZINC000748032990 1028639846 /nfs/dbraw/zinc/63/98/46/1028639846.db2.gz 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1030387538 /nfs/dbraw/zinc/38/75/38/1030387538.db2.gz NOTFQNDQBLTXKX-VQHVLOKHSA-N -1 0 322.339 3.922 20 30 DHEDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1ccc2c(c1)COC2 ZINC000794942071 1030425188 /nfs/dbraw/zinc/42/51/88/1030425188.db2.gz HFOGLPKFWQZCJP-AATRIKPKSA-N -1 0 322.360 3.928 20 30 DHEDRM N#Cc1csc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000354391285 1030523634 /nfs/dbraw/zinc/52/36/34/1030523634.db2.gz CAPXLAVVPJYWSK-UHFFFAOYSA-N -1 0 313.165 3.884 20 30 DHEDRM Cc1cc(F)ncc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000870339994 1030980172 /nfs/dbraw/zinc/98/01/72/1030980172.db2.gz OZQXROSKKUPJOF-JTQLQIEISA-N -1 0 317.389 3.773 20 30 DHEDRM COc1cc(C)c(C(C)N=Nc2ccccc2C(=O)[O-])cc1C ZINC000783815555 1031103354 /nfs/dbraw/zinc/10/33/54/1031103354.db2.gz DGKQOELEKHALNG-UHFFFAOYSA-N -1 0 312.369 3.846 20 30 DHEDRM N#Cc1c(=O)[n-]cc2c1CCC(=Cc1cccc(C3CC3)c1)C2=O ZINC000844554544 1031211467 /nfs/dbraw/zinc/21/14/67/1031211467.db2.gz QAJPJQRJCDVVLV-DHDCSXOGSA-N -1 0 316.360 3.749 20 30 DHEDRM C#Cc1cccc(N(CC)C(=O)c2cc(SC)ccc2O)c1 ZINC001144136106 1031269101 /nfs/dbraw/zinc/26/91/01/1031269101.db2.gz ZYXCNIITYBBSRT-UHFFFAOYSA-N -1 0 311.406 3.762 20 30 DHEDRM Cc1c(N=NC2CCOC3(CCCC3)C2)cccc1C(=O)[O-] ZINC000872387253 1031596573 /nfs/dbraw/zinc/59/65/73/1031596573.db2.gz NFRSLGDREPNMTO-UHFFFAOYSA-N -1 0 302.374 3.584 20 30 DHEDRM Cc1cc(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)cs1 ZINC000845844190 1031728902 /nfs/dbraw/zinc/72/89/02/1031728902.db2.gz PCBDGTDVQMWHCR-OAHLLOKOSA-N -1 0 309.390 3.680 20 30 DHEDRM CSCCCC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845837822 1031736306 /nfs/dbraw/zinc/73/63/06/1031736306.db2.gz PNVAFEBHJRZCEZ-GFCCVEGCSA-N -1 0 321.467 3.662 20 30 DHEDRM C#CCCCCC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845836179 1031736603 /nfs/dbraw/zinc/73/66/03/1031736603.db2.gz HJYKCRJETBTVDF-AWEZNQCLSA-N -1 0 313.422 3.712 20 30 DHEDRM N#CC(C(=O)[C@@H]1CC12CCC2)=C([O-])c1cc2c(s1)CCCC2 ZINC000845836221 1031736886 /nfs/dbraw/zinc/73/68/86/1031736886.db2.gz 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3.950 20 30 DHEDRM N#Cc1cc(Cl)cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174507360 1034463927 /nfs/dbraw/zinc/46/39/27/1034463927.db2.gz LHQGYSCXEFTPKK-UHFFFAOYSA-N -1 0 317.688 3.562 20 30 DHEDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1cnn(C2CCC2)c1 ZINC000899400391 1034638881 /nfs/dbraw/zinc/63/88/81/1034638881.db2.gz JLMSMKLUBDNPJB-SREVYHEPSA-N -1 0 324.380 3.819 20 30 DHEDRM O=C(/C=C/c1ccc([O-])c(F)c1F)c1ccnn1CC1CCC1 ZINC000899413046 1034651652 /nfs/dbraw/zinc/65/16/52/1034651652.db2.gz MLMORLYKTZBGTD-GQCTYLIASA-N -1 0 318.323 3.563 20 30 DHEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)c2ccccc12 ZINC000842283571 1034681153 /nfs/dbraw/zinc/68/11/53/1034681153.db2.gz DJXFWGUACLETHI-SFHVURJKSA-N -1 0 322.408 3.777 20 30 DHEDRM N#Cc1ccc(C(F)(F)F)cc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174953437 1034704491 /nfs/dbraw/zinc/70/44/91/1034704491.db2.gz DXFJXGDKAQXRJV-UHFFFAOYSA-N -1 0 320.270 3.948 20 30 DHEDRM N#Cc1c(Nc2ccc(CC(=O)[O-])cc2)cccc1C(F)(F)F ZINC001174953681 1034704683 /nfs/dbraw/zinc/70/46/83/1034704683.db2.gz XTYCVWAXLJKYPM-UHFFFAOYSA-N -1 0 320.270 3.948 20 30 DHEDRM CC(C)=C[C@H]1[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)C1(C)C ZINC000042235298 1034728681 /nfs/dbraw/zinc/72/86/81/1034728681.db2.gz FYNCFOWMQBOWLY-LSDHHAIUSA-N -1 0 321.442 3.879 20 30 DHEDRM COc1ccc(F)c([N-]c2onc(C(C)(C)C)c2C#N)c1F ZINC001175117850 1034788807 /nfs/dbraw/zinc/78/88/07/1034788807.db2.gz NVRCNCXVLLSHHX-UHFFFAOYSA-N -1 0 307.300 3.874 20 30 DHEDRM Cc1cc(C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)oc1C ZINC000128582743 1034904273 /nfs/dbraw/zinc/90/42/73/1034904273.db2.gz HHGOYXFSKCDKFH-CQSZACIVSA-N -1 0 320.348 3.892 20 30 DHEDRM N#Cc1ccc(F)c(F)c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175321766 1034933764 /nfs/dbraw/zinc/93/37/64/1034933764.db2.gz YNAOFSPRPSTQRH-UHFFFAOYSA-N -1 0 308.671 3.932 20 30 DHEDRM N#Cc1c(F)cc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc1F ZINC001175321476 1034933842 /nfs/dbraw/zinc/93/38/42/1034933842.db2.gz RVVPQBRYGSWPBD-UHFFFAOYSA-N -1 0 308.671 3.932 20 30 DHEDRM 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C=CCCc1ccccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436495759 338274309 /nfs/dbraw/zinc/27/43/09/338274309.db2.gz ORHGLUYFDSXAQA-UHFFFAOYSA-N -1 0 312.325 3.671 20 30 DHEDRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H](C)c2cccc(C#N)c2)c1 ZINC000436646176 338281396 /nfs/dbraw/zinc/28/13/96/338281396.db2.gz GGBVVRKGVKSPMB-GFCCVEGCSA-N -1 0 322.364 3.599 20 30 DHEDRM C[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccc(C#N)cc1 ZINC000437004671 338297561 /nfs/dbraw/zinc/29/75/61/338297561.db2.gz MWUXZZYQVYEIOE-VIFPVBQESA-N -1 0 318.735 3.547 20 30 DHEDRM C=CCN(CCc1ccco1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000437004040 338297569 /nfs/dbraw/zinc/29/75/69/338297569.db2.gz ULRGQCMUSOFAGQ-UHFFFAOYSA-N -1 0 323.751 3.649 20 30 DHEDRM Cc1nc2c(cccc2C([O-])=C(C#N)c2nc3ccccc3o2)o1 ZINC000439037414 338359201 /nfs/dbraw/zinc/35/92/01/338359201.db2.gz GYBMQBJROHIFFO-LBPRGKRZSA-N -1 0 317.304 3.768 20 30 DHEDRM Cc1nc2c(cccc2C([O-])=C(C#N)c2nc3ccccc3o2)o1 ZINC000439037413 338359288 /nfs/dbraw/zinc/35/92/88/338359288.db2.gz 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C[C@@H](Oc1ccc(/C=C2/CCc3ccccc3C2=O)cc1)C(=O)[O-] ZINC000794689312 602105115 /nfs/dbraw/zinc/10/51/15/602105115.db2.gz AJCFNVYVFKQJCB-OPCAMPFDSA-N -1 0 322.360 3.751 20 30 DHEDRM Cc1ccccc1C(=O)/C=C\c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000832976150 602107772 /nfs/dbraw/zinc/10/77/72/602107772.db2.gz GWUYIFVJRXATRC-FWLQQBITSA-N -1 0 310.349 3.743 20 30 DHEDRM O=C([O-])c1cc(/C=C/C(=O)c2ccc(-c3ccccc3)o2)c[nH]1 ZINC000833297467 602300305 /nfs/dbraw/zinc/30/03/05/602300305.db2.gz GQPVYNUUVAMADD-VOTSOKGWSA-N -1 0 307.305 3.869 20 30 DHEDRM CCC(CC)CN(CCC#N)C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736895128 602520020 /nfs/dbraw/zinc/52/00/20/602520020.db2.gz NDSMJWHFMGGRSA-UHFFFAOYSA-N -1 0 317.389 3.569 20 30 DHEDRM C=CCC[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000630296802 604558270 /nfs/dbraw/zinc/55/82/70/604558270.db2.gz HVBMBXUMJVNGRA-BBWFWOEESA-N -1 0 315.413 3.701 20 30 DHEDRM C[C@H](c1ccccc1F)N(C)Cc1cccc(C(=O)[O-])c1C#N ZINC000833548676 604604720 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C=C[C@@H](CC(=O)Nc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000833371424 604809776 /nfs/dbraw/zinc/80/97/76/604809776.db2.gz QDPTXBFNUOMAOI-NSHDSACASA-N -1 0 301.367 3.745 20 30 DHEDRM O=C([O-])Nc1cc(NCC#Cc2ccc(F)cc2)ccc1F ZINC000833284113 604816251 /nfs/dbraw/zinc/81/62/51/604816251.db2.gz ZSSLHMPCIAWNJQ-UHFFFAOYSA-N -1 0 302.280 3.518 20 30 DHEDRM C#CCCCCCC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000833361886 605673242 /nfs/dbraw/zinc/67/32/42/605673242.db2.gz QPGCGMJSMQAGDP-OAHLLOKOSA-N -1 0 308.761 3.593 20 30 DHEDRM N#CCC[C@@H](NC(=O)c1cccc(NC(=O)[O-])c1)c1ccccc1 ZINC000833970039 605744819 /nfs/dbraw/zinc/74/48/19/605744819.db2.gz ZZMIVNPIEGKRJA-MRXNPFEDSA-N -1 0 323.352 3.551 20 30 DHEDRM N#CC1(COC(=O)c2ccc(F)c(NC(=O)[O-])c2)CCCCC1 ZINC000833964889 605779703 /nfs/dbraw/zinc/77/97/03/605779703.db2.gz SVHFDQZVDKENGG-UHFFFAOYSA-N -1 0 320.320 3.546 20 30 DHEDRM N#CC1(CCCSCc2cccc(C(=O)[O-])c2)CCOCC1 ZINC001611291402 970978883 /nfs/dbraw/zinc/97/88/83/970978883.db2.gz VFCAXWXTNUKNNH-UHFFFAOYSA-N 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COc1c(F)ccc(Nc2cc(C#N)c(F)cc2[O-])c1Cl ZINC001209807624 1013378416 /nfs/dbraw/zinc/37/84/16/1013378416.db2.gz YYJNYFFVEXTOHG-UHFFFAOYSA-N -1 0 310.687 3.948 20 30 DHEDRM C=C1CCC(CNC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)CC1 ZINC001573343432 962904200 /nfs/dbraw/zinc/90/42/00/962904200.db2.gz DPUWCXMXQQVQKL-UHFFFAOYSA-N -1 0 316.401 3.870 20 30 DHEDRM C=C[C@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001573348248 962956912 /nfs/dbraw/zinc/95/69/12/962956912.db2.gz URDLXEIMUCIEBA-KRWDZBQOSA-N -1 0 310.349 3.788 20 30 DHEDRM C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001573350027 962962481 /nfs/dbraw/zinc/96/24/81/962962481.db2.gz AAFHKBMWRRYGKP-QGZVFWFLSA-N -1 0 323.392 3.610 20 30 DHEDRM C=CC1(CC(=O)N(CC(=O)[O-])C2CCCCC2)CCCCC1 ZINC001573350654 962971096 /nfs/dbraw/zinc/97/10/96/962971096.db2.gz LAVCIVXZEVKSBU-UHFFFAOYSA-N -1 0 307.434 3.759 20 30 DHEDRM C=CCCC[C@H](NC(=O)/C=C(\C)c1cccc(Cl)c1)C(=O)[O-] ZINC001573356461 963008014 /nfs/dbraw/zinc/00/80/14/963008014.db2.gz BUVNRCSZUGYJAL-PABFRNLHSA-N -1 0 321.804 3.669 20 30 DHEDRM C=CCCC[C@H](NC(=O)[C@@H](CC(C)C)c1ccccc1)C(=O)[O-] ZINC001573358018 963023959 /nfs/dbraw/zinc/02/39/59/963023959.db2.gz VYUPRJNOBSKBLT-IRXDYDNUSA-N -1 0 317.429 3.742 20 30 DHEDRM C=CCCC1(CNC(=O)c2cc(C)cc(C(=O)[O-])c2)CCCC1 ZINC001573358455 963028044 /nfs/dbraw/zinc/02/80/44/963028044.db2.gz ZOQNBFNDPCUMSN-UHFFFAOYSA-N -1 0 315.413 3.950 20 30 DHEDRM C=CCN(Cc1ccccc1)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001573369295 963094535 /nfs/dbraw/zinc/09/45/35/963094535.db2.gz XOMRHYUNIZFYDF-LBPRGKRZSA-N -1 0 302.399 3.591 20 30 DHEDRM CCCn1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cn1 ZINC000430604485 1013597997 /nfs/dbraw/zinc/59/79/97/1013597997.db2.gz QJEUTPDVGIZWGI-GFCCVEGCSA-N -1 0 316.430 3.537 20 30 DHEDRM N#Cc1ncccc1Nc1ccc(Br)cc1[S-] ZINC001210148600 1013597958 /nfs/dbraw/zinc/59/79/58/1013597958.db2.gz NWICXHKTOOIDOP-UHFFFAOYSA-N -1 0 306.188 3.748 20 30 DHEDRM N#CC(=C([O-])C=Cc1ccco1)c1nc(-c2ccncc2)cs1 ZINC000255071016 1013620313 /nfs/dbraw/zinc/62/03/13/1013620313.db2.gz WXRMCNMLHJENTE-VQTKUKTRSA-N -1 0 321.361 3.688 20 30 DHEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N\CCc1nccs1 ZINC000255083956 1013658430 /nfs/dbraw/zinc/65/84/30/1013658430.db2.gz KKBPBUSNCHWFJC-CHHVJCJISA-N -1 0 301.198 3.817 20 30 DHEDRM N#CCC[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000255133830 1013851960 /nfs/dbraw/zinc/85/19/60/1013851960.db2.gz ZAJSPZYMYPIEOE-JJBLJPBOSA-N -1 0 309.325 3.764 20 30 DHEDRM Cc1ccoc1C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000121084320 1013881254 /nfs/dbraw/zinc/88/12/54/1013881254.db2.gz YVQPAMCWYPAAJW-ZDUSSCGKSA-N -1 0 306.321 3.583 20 30 DHEDRM CC(C)[C@@H](Oc1ccccc1-c1ccsc1C#N)C(=O)[O-] ZINC000520611963 1014377422 /nfs/dbraw/zinc/37/74/22/1014377422.db2.gz WYQUCRHORMBBCJ-OAHLLOKOSA-N -1 0 301.367 3.775 20 30 DHEDRM CCCCc1nc(Cl)c(C=NNc2ccccc2C(=O)[O-])[nH]1 ZINC000755602170 978696585 /nfs/dbraw/zinc/69/65/85/978696585.db2.gz TWGVAXDXFZPZTA-UHFFFAOYSA-N -1 0 320.780 3.550 20 30 DHEDRM O=C([O-])c1ccc(N=NCc2cc(Cl)cc(Cl)c2)nc1 ZINC000763376687 978722745 /nfs/dbraw/zinc/72/27/45/978722745.db2.gz GHNFSIJZSIMSMU-UHFFFAOYSA-N -1 0 310.140 3.533 20 30 DHEDRM Cc1cccc2c1[C@H](C)/C(=C\c1ccc(OCC(=O)[O-])cc1)C2=O ZINC000766696332 978724611 /nfs/dbraw/zinc/72/46/11/978724611.db2.gz QQWIKNUZLFLHIO-VGSSETLESA-N -1 0 322.360 3.842 20 30 DHEDRM Cc1ccc2cc(C=NNc3ccccc3C(=O)[O-])ccc2n1 ZINC000783514942 978793468 /nfs/dbraw/zinc/79/34/68/978793468.db2.gz TZJBPFWZZPHJGS-UHFFFAOYSA-N -1 0 305.337 3.687 20 30 DHEDRM C[C@H]1C(N=Nc2ccc(OC(F)F)cc2)CC[C@@H]1CC(=O)[O-] ZINC000814828440 978889709 /nfs/dbraw/zinc/88/97/09/978889709.db2.gz CQFDGILGCVVISK-NXEZZACHSA-N -1 0 312.316 3.577 20 30 DHEDRM C[C@@H]1C(N=Nc2ccc(OC(F)F)cc2)CC[C@@H]1CC(=O)[O-] ZINC000814828442 978889978 /nfs/dbraw/zinc/88/99/78/978889978.db2.gz CQFDGILGCVVISK-VHSXEESVSA-N -1 0 312.316 3.577 20 30 DHEDRM C[C@H]1C(N=Nc2ccc(C(F)(F)F)cc2)CC[C@@H]1CC(=O)[O-] ZINC000814882313 978895978 /nfs/dbraw/zinc/89/59/78/978895978.db2.gz NAYDAWZEHIMNMX-NXEZZACHSA-N -1 0 314.307 3.994 20 30 DHEDRM Cc1cc2ccccc2nc1N=NC1CC[C@@H](CC(=O)[O-])[C@H]1C ZINC000814896149 978897203 /nfs/dbraw/zinc/89/72/03/978897203.db2.gz LFSOGISKKOMMPW-OLZOCXBDSA-N -1 0 311.385 3.832 20 30 DHEDRM CCc1nc(C)c(C(C)=NNc2ccc(C(=O)[O-])c(F)c2)s1 ZINC000835010336 979245708 /nfs/dbraw/zinc/24/57/08/979245708.db2.gz XTVMEJISFDMPJA-UHFFFAOYSA-N -1 0 321.377 3.687 20 30 DHEDRM CCC(CC)CN(CCC#N)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001595111287 979457181 /nfs/dbraw/zinc/45/71/81/979457181.db2.gz DZEMDBVEKUDJOG-UHFFFAOYSA-N -1 0 322.449 3.590 20 30 DHEDRM O=C([O-])Cc1ccc(NN=Cc2ccccc2OCC2CC2)cc1 ZINC000848415951 979468113 /nfs/dbraw/zinc/46/81/13/979468113.db2.gz UDHCDTDWGBYYKY-UHFFFAOYSA-N -1 0 324.380 3.549 20 30 DHEDRM Cc1ccc(C2CC(N=Nc3ccc(CC(=O)[O-])cc3)C2)cc1 ZINC000848416096 979468333 /nfs/dbraw/zinc/46/83/33/979468333.db2.gz YQFDEMOMYKNISN-UHFFFAOYSA-N -1 0 308.381 3.968 20 30 DHEDRM C=CC[C@H]1N(C(=O)/C=C/c2cc(C(=O)[O-])co2)CCCC1(C)C ZINC000864158017 979769877 /nfs/dbraw/zinc/76/98/77/979769877.db2.gz XYIWUJNREXDFBI-MVGZEHJDSA-N -1 0 317.385 3.584 20 30 DHEDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)CCCCCC#N ZINC001595362142 980768309 /nfs/dbraw/zinc/76/83/09/980768309.db2.gz XKAWDNTXZFCCDG-INIZCTEOSA-N -1 0 316.401 3.525 20 30 DHEDRM C#CCCCCC(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000909786597 981622164 /nfs/dbraw/zinc/62/21/64/981622164.db2.gz SMUBGUVMPVXSRF-GOSISDBHSA-N -1 0 323.392 3.665 20 30 DHEDRM CCCCCCCCCC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001595704949 982281790 /nfs/dbraw/zinc/28/17/90/982281790.db2.gz LTOWLTFLVZXWHC-YJBOKZPZSA-N -1 0 309.450 3.840 20 30 DHEDRM CCCCCCCC[C@@H](C)C(=O)Nc1cc(C(=O)[O-])c[nH]c1=O ZINC001595705145 982282843 /nfs/dbraw/zinc/28/28/43/982282843.db2.gz QCZNRSMKGMGUNA-GFCCVEGCSA-N -1 0 322.405 3.811 20 30 DHEDRM CCCCCCCC[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001595705282 982283600 /nfs/dbraw/zinc/28/36/00/982283600.db2.gz UHKHDDUSNCYICC-BZUAXINKSA-N -1 0 311.466 3.942 20 30 DHEDRM CCCCCCCC[C@H](C)C(=O)N1C2CCC1(C(=O)[O-])CC2 ZINC001595705273 982283621 /nfs/dbraw/zinc/28/36/21/982283621.db2.gz UAUFKVZZXXMGCJ-SYJJWHGVSA-N -1 0 309.450 3.981 20 30 DHEDRM C#C[C@H](NCc1ccsc1C(=O)[O-])c1ccc(Cl)cc1F ZINC001588377049 983355188 /nfs/dbraw/zinc/35/51/88/983355188.db2.gz IMOFPLJVFGHDMY-ZDUSSCGKSA-N -1 0 323.776 3.703 20 30 DHEDRM C=C(C)C[C@@H](NC(=O)c1cc2c(s1)CCCCCC2)C(=O)[O-] ZINC001588547195 983618826 /nfs/dbraw/zinc/61/88/26/983618826.db2.gz VVDVYOIGFKTNDJ-CYBMUJFWSA-N -1 0 321.442 3.556 20 30 DHEDRM C=C(C)CCC(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588559251 983639897 /nfs/dbraw/zinc/63/98/97/983639897.db2.gz LOPXICUURDFPCJ-CYBMUJFWSA-N -1 0 316.275 3.888 20 30 DHEDRM N#CC(=C([O-])C=Cc1cccnc1)c1nc2ccccc2s1 ZINC000759181390 1014966288 /nfs/dbraw/zinc/96/62/88/1014966288.db2.gz BWNTZVSLMYXGIW-GWJCSSMESA-N -1 0 305.362 3.581 20 30 DHEDRM C=C(C)c1cccc(NC(=O)NCCc2ccccc2C(=O)[O-])c1 ZINC001588605219 983691406 /nfs/dbraw/zinc/69/14/06/983691406.db2.gz DGLKIKDQUHXPBM-UHFFFAOYSA-N -1 0 324.380 3.782 20 30 DHEDRM C=C(CC(C)C)C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001588606203 983696459 /nfs/dbraw/zinc/69/64/59/983696459.db2.gz SDXZGTNKKWEINQ-MRXNPFEDSA-N -1 0 315.413 3.523 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N(CC(C)C)[C@@H](C)c1ccccc1C ZINC001588612108 983701905 /nfs/dbraw/zinc/70/19/05/983701905.db2.gz IVOYSHFFRKNCJB-INIZCTEOSA-N -1 0 317.429 3.962 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N1CC[C@H](C)C[C@@H]1c1ccc(CC)o1 ZINC001588614241 983706967 /nfs/dbraw/zinc/70/69/67/983706967.db2.gz PCYCFPHZKXDWOQ-SWLSCSKDSA-N -1 0 319.401 3.563 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC001588614996 983709365 /nfs/dbraw/zinc/70/93/65/983709365.db2.gz HBJMINAFZJMQAE-HNNXBMFYSA-N -1 0 321.804 3.815 20 30 DHEDRM C=C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1)c1ccccc1 ZINC001588663758 983796719 /nfs/dbraw/zinc/79/67/19/983796719.db2.gz KMIMGKLLRLVDOJ-MSOLQXFVSA-N -1 0 323.392 3.515 20 30 DHEDRM C=C[C@H](C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1ccccc1 ZINC001588664894 983805415 /nfs/dbraw/zinc/80/54/15/983805415.db2.gz YZCRRQVMDRXNMD-AWEZNQCLSA-N -1 0 320.348 3.774 20 30 DHEDRM C=C[C@H](CC)CC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001588690491 983874421 /nfs/dbraw/zinc/87/44/21/983874421.db2.gz AOYIJRYBUUSUHP-CJNGLKHVSA-N -1 0 315.413 3.523 20 30 DHEDRM C=C[C@@H](CC(=O)OC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC001588690984 983877841 /nfs/dbraw/zinc/87/78/41/983877841.db2.gz NVNHSKKMCLHYBF-JEYLPNPQSA-N -1 0 302.370 3.533 20 30 DHEDRM C=C[C@H](Sc1nnc(-c2ccccc2)n1[C@@H](C)CC)C(=O)[O-] ZINC001588714538 983952264 /nfs/dbraw/zinc/95/22/64/983952264.db2.gz JBQONRSGZZRXKO-AAEUAGOBSA-N -1 0 317.414 3.647 20 30 DHEDRM C=CC[C@H](C(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC001588720619 983968861 /nfs/dbraw/zinc/96/88/61/983968861.db2.gz CEXUHYZHPOHETL-INIZCTEOSA-N -1 0 309.365 3.992 20 30 DHEDRM C=CC[C@H](C(=O)[O-])N1CC(C)(C)c2ccc(Br)cc21 ZINC001588727845 983978272 /nfs/dbraw/zinc/97/82/72/983978272.db2.gz GAAFAEDIAIODCU-GFCCVEGCSA-N -1 0 324.218 3.576 20 30 DHEDRM C=CC[C@@H](Sc1cc(Br)ccc1OC)C(=O)[O-] ZINC001588759130 984110078 /nfs/dbraw/zinc/11/00/78/984110078.db2.gz PYZCDSQFXPOOMH-SNVBAGLBSA-N -1 0 317.204 3.579 20 30 DHEDRM C=CCC1(C(=O)Nc2cccc(OCC(=O)[O-])c2)CCCCC1 ZINC001588764544 984122019 /nfs/dbraw/zinc/12/20/19/984122019.db2.gz DQUZFALFTRQDGW-UHFFFAOYSA-N -1 0 317.385 3.615 20 30 DHEDRM C=CCC1(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCCC1 ZINC001588767238 984129481 /nfs/dbraw/zinc/12/94/81/984129481.db2.gz QBAFEMHHOVJXEQ-UHFFFAOYSA-N -1 0 304.346 3.841 20 30 DHEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001588770621 984135126 /nfs/dbraw/zinc/13/51/26/984135126.db2.gz BLGFWXYQSTXGJU-NHYWBVRUSA-N -1 0 320.364 3.780 20 30 DHEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001588771240 984138565 /nfs/dbraw/zinc/13/85/65/984138565.db2.gz QXQRDVKKXDYVMI-GHMZBOCLSA-N -1 0 308.403 3.703 20 30 DHEDRM C=CC[C@H]1N(C(=O)Nc2ccc(C(=O)[O-])cc2)CCCC1(C)C ZINC001588774067 984150866 /nfs/dbraw/zinc/15/08/66/984150866.db2.gz RLMUKDFHXSABBL-OAHLLOKOSA-N -1 0 316.401 3.983 20 30 DHEDRM C=CCCC(C)(C)CNC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001588776839 984153691 /nfs/dbraw/zinc/15/36/91/984153691.db2.gz JEYJPVYKAJOUGE-UHFFFAOYSA-N -1 0 304.390 3.807 20 30 DHEDRM C=CCCC(C)(C)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001588778020 984158834 /nfs/dbraw/zinc/15/88/34/984158834.db2.gz PVOTXWRLERLVSO-LSDHHAIUSA-N -1 0 316.401 3.741 20 30 DHEDRM C=CCCC(C)(C)NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001588778037 984158945 /nfs/dbraw/zinc/15/89/45/984158945.db2.gz QRKDHVXODLKDEY-UHFFFAOYSA-N -1 0 312.316 3.529 20 30 DHEDRM C=CCCC[C@H](NC(=O)C[C@@H](C)c1ccc(CC)cc1)C(=O)[O-] ZINC001588790254 984205064 /nfs/dbraw/zinc/20/50/64/984205064.db2.gz UHLPWUUPHUVWEK-PBHICJAKSA-N -1 0 317.429 3.668 20 30 DHEDRM C=CCCC[C@@H](NC(=O)c1ccc(C2=CCCC2)cc1)C(=O)[O-] ZINC001588792622 984211451 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ZINC001589017222 985001282 /nfs/dbraw/zinc/00/12/82/985001282.db2.gz DVEPNEJSOZUXNT-UHFFFAOYSA-N -1 0 304.371 3.596 20 30 DHEDRM CCO[C@H]1CC(N=Nc2ccc(C(=O)[O-])c(Cl)c2)C1(C)C ZINC001596804258 985323971 /nfs/dbraw/zinc/32/39/71/985323971.db2.gz FRCYONIWBPALMV-ZDUSSCGKSA-N -1 0 310.781 3.641 20 30 DHEDRM CCC(C#N)(CC)C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001594722447 987212513 /nfs/dbraw/zinc/21/25/13/987212513.db2.gz PRCQWRKLOLLIDG-UHFFFAOYSA-N -1 0 316.382 3.868 20 30 DHEDRM CC(C)(C#N)CCCOC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001589554775 987302807 /nfs/dbraw/zinc/30/28/07/987302807.db2.gz NBJOGDBSDATVPN-UHFFFAOYSA-N -1 0 309.749 3.525 20 30 DHEDRM N#C[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)C1CC1 ZINC000843570691 1015301892 /nfs/dbraw/zinc/30/18/92/1015301892.db2.gz KLVNNPDPMLHMHH-JTQLQIEISA-N -1 0 319.138 3.504 20 30 DHEDRM CC(C)(C(=O)[O-])c1cccc(OCc2ccc(C#N)s2)c1 ZINC001589649253 987588070 /nfs/dbraw/zinc/58/80/70/987588070.db2.gz OGOCQMSILKTCFG-UHFFFAOYSA-N -1 0 301.367 3.561 20 30 DHEDRM 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O=C(Nc1n[nH]c(-c2ccco2)n1)c1cccc2ccccc21 ZINC000073973604 1020515248 /nfs/dbraw/zinc/51/52/48/1020515248.db2.gz DTCHXHOYPYTVMY-UHFFFAOYSA-N -1 0 304.309 3.854 20 30 DHEDRM CC(CCc1ccccc1F)N=Nc1ccc(C(=O)[O-])cc1 ZINC000734092575 1020553658 /nfs/dbraw/zinc/55/36/58/1020553658.db2.gz UGDLWQPPPYHOBG-UHFFFAOYSA-N -1 0 300.333 3.945 20 30 DHEDRM O=C([N-]c1c(F)cc(F)cc1F)c1c(F)c(F)cc(F)c1F ZINC000673987574 1020609258 /nfs/dbraw/zinc/60/92/58/1020609258.db2.gz MQJUZCUVXDYNTN-UHFFFAOYSA-N -1 0 323.167 3.913 20 30 DHEDRM CC(C)c1ccsc1C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000066003890 1020645281 /nfs/dbraw/zinc/64/52/81/1020645281.db2.gz OKAUYTVZFZNQCX-UHFFFAOYSA-N -1 0 323.439 3.706 20 30 DHEDRM Cc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188606591 1020776317 /nfs/dbraw/zinc/77/63/17/1020776317.db2.gz MBTDKHLRZARAOM-UHFFFAOYSA-N -1 0 320.270 3.843 20 30 DHEDRM CCOc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000066516573 1020902723 /nfs/dbraw/zinc/90/27/23/1020902723.db2.gz 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Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H](C)c1ccco1 ZINC000744016513 1021408086 /nfs/dbraw/zinc/40/80/86/1021408086.db2.gz NVKVXDDOPGRYQI-FZMZJTMJSA-N -1 0 320.348 3.765 20 30 DHEDRM N#Cc1ccc2c(c1)CC[C@@H]2N=c1nc(-c2ccccc2)[n-]s1 ZINC000618693202 1021490348 /nfs/dbraw/zinc/49/03/48/1021490348.db2.gz BNPJWWKNQFJQAG-INIZCTEOSA-N -1 0 318.405 3.598 20 30 DHEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2ccccc2F)c1)C(=O)[O-] ZINC000745020051 1021638965 /nfs/dbraw/zinc/63/89/65/1021638965.db2.gz ATAMCWZTUKOSSF-PRDAAYKISA-N -1 0 314.312 3.574 20 30 DHEDRM Cc1ccsc1/C=C\C(=O)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000745021510 1021641839 /nfs/dbraw/zinc/64/18/39/1021641839.db2.gz QAQNCUBJNMMMDJ-DGMVEKRQSA-N -1 0 316.378 3.805 20 30 DHEDRM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])c1ccc(CF)cc1 ZINC000851108700 1021739360 /nfs/dbraw/zinc/73/93/60/1021739360.db2.gz FIOUCUJZEAFXAU-KRWDZBQOSA-N -1 0 321.351 3.779 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2ccccc2C(F)(F)F)c1 ZINC000745623725 1021745882 /nfs/dbraw/zinc/74/58/82/1021745882.db2.gz BBJPDJSBVYEFQV-DJKKODMXSA-N -1 0 324.258 3.938 20 30 DHEDRM C=CCN(CC1CCCCC1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851595172 1021951692 /nfs/dbraw/zinc/95/16/92/1021951692.db2.gz NCLXDZAOBNSRIN-LUAWRHEFSA-N -1 0 317.385 3.586 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C1CCCCC1 ZINC000920105922 1022044725 /nfs/dbraw/zinc/04/47/25/1022044725.db2.gz NOBPGQHRVRMFCR-OAHLLOKOSA-N -1 0 308.381 3.948 20 30 DHEDRM N#CC(=C([O-])C=C1CCCC1)c1nc(-c2ccncc2)cs1 ZINC000920267342 1022098876 /nfs/dbraw/zinc/09/88/76/1022098876.db2.gz FTECEJIGDQECSC-AWEZNQCLSA-N -1 0 309.394 3.882 20 30 DHEDRM C=CCOc1cccc(NC(=O)c2c([O-])cccc2Cl)c1 ZINC000920463107 1022123531 /nfs/dbraw/zinc/12/35/31/1022123531.db2.gz NUKQMWIXDRKVON-UHFFFAOYSA-N -1 0 303.745 3.863 20 30 DHEDRM O=[N+]([O-])c1cc(Cl)cc(C=Nc2ccc(F)cc2F)c1[O-] ZINC000920942909 1022192141 /nfs/dbraw/zinc/19/21/41/1022192141.db2.gz UATYHPHBORAIRR-UHFFFAOYSA-N -1 0 312.659 3.983 20 30 DHEDRM COC(=O)CCCCC/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000920943851 1022193906 /nfs/dbraw/zinc/19/39/06/1022193906.db2.gz KGHUQSJQWLYETG-RQZCQDPDSA-N -1 0 318.200 3.851 20 30 DHEDRM C[C@@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccn1 ZINC000920944654 1022194312 /nfs/dbraw/zinc/19/43/12/1022194312.db2.gz GRMMBTWOIYZRPL-QQWZZVHASA-N -1 0 305.721 3.529 20 30 DHEDRM C[C@@H]1C(N=Nc2ccnc(Cl)c2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000853395436 1022267882 /nfs/dbraw/zinc/26/78/82/1022267882.db2.gz XFTVDWMMWGFBOM-KOLCDFICSA-N -1 0 309.797 3.660 20 30 DHEDRM CC(C)(C)SCC(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000075799032 1022346904 /nfs/dbraw/zinc/34/69/04/1022346904.db2.gz BKTWRXBBJUUDIR-UHFFFAOYSA-N -1 0 321.851 3.517 20 30 DHEDRM Cc1cccc2c1[C@H](C)/C(=C\c1ccc([N+](=O)[O-])c([O-])c1)C2=O ZINC000766696352 1022402547 /nfs/dbraw/zinc/40/25/47/1022402547.db2.gz RHGKJTVIACFNPR-GYBQTFJISA-N -1 0 309.321 3.992 20 30 DHEDRM O=C([O-])c1ccc(NN=Cc2ccccc2OC(F)(F)F)cc1 ZINC000766994967 1022618957 /nfs/dbraw/zinc/61/89/57/1022618957.db2.gz HPGDYTOBWVACES-UHFFFAOYSA-N -1 0 324.258 3.729 20 30 DHEDRM COC(=O)CCCC[C@H](C)C(C)N=Nc1ccccc1C(=O)[O-] ZINC000767763984 1022799403 /nfs/dbraw/zinc/79/94/03/1022799403.db2.gz PYNVGTCOIINCAE-LBPRGKRZSA-N -1 0 320.389 3.542 20 30 DHEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3s2)cnn1C(C)C ZINC000092693906 1023003203 /nfs/dbraw/zinc/00/32/03/1023003203.db2.gz KWXHVFNODPCGAA-LBPRGKRZSA-N -1 0 324.409 3.872 20 30 DHEDRM Cn1cnc2cc(/C=C\C(=O)c3ccc([O-])c(Cl)c3)ccc21 ZINC000768754829 1023020633 /nfs/dbraw/zinc/02/06/33/1023020633.db2.gz DUFHDHZFMKUMGA-UTCJRWHESA-N -1 0 312.756 3.828 20 30 DHEDRM COc1cccc(OC)c1/C=C/C(=O)c1ccc([O-])c(Cl)c1 ZINC000768758423 1023022934 /nfs/dbraw/zinc/02/29/34/1023022934.db2.gz SWLRJAZUQKLLJA-VQHVLOKHSA-N -1 0 318.756 3.959 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1CC12CCC2 ZINC000759813125 1023042609 /nfs/dbraw/zinc/04/26/09/1023042609.db2.gz FEMMEFTXEIZJME-ZIAGYGMSSA-N -1 0 306.365 3.558 20 30 DHEDRM O=C([O-])c1ccc(N=NC(Cc2ccccc2)C(F)F)cc1 ZINC000769566786 1023181040 /nfs/dbraw/zinc/18/10/40/1023181040.db2.gz KELZJPZUSAUKFP-UHFFFAOYSA-N -1 0 304.296 3.661 20 30 DHEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000659168486 1023395407 /nfs/dbraw/zinc/39/54/07/1023395407.db2.gz WNDDHTITKFVIKT-GRAKBVBRSA-N -1 0 307.434 3.519 20 30 DHEDRM CCC(=NNC[C@@H](C)C#N)c1cc(Cl)cc(Cl)c1[O-] ZINC000771105398 1023397990 /nfs/dbraw/zinc/39/79/90/1023397990.db2.gz ZEEGRPVVNPAGJG-QMMMGPOBSA-N -1 0 300.189 3.562 20 30 DHEDRM C=CCCc1ccccc1NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647702337 1023422162 /nfs/dbraw/zinc/42/21/62/1023422162.db2.gz RKEOKGDQJGANKQ-UHFFFAOYSA-N -1 0 316.401 3.524 20 30 DHEDRM N#Cc1ccccc1/C=C\C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000771506405 1023447435 /nfs/dbraw/zinc/44/74/35/1023447435.db2.gz UOEJISZNRQWZJV-WAYWQWQTSA-N -1 0 316.719 3.708 20 30 DHEDRM O=C(C=Cc1ccc(Cl)c([N+](=O)[O-])c1)c1sccc1[O-] ZINC000771744218 1023466162 /nfs/dbraw/zinc/46/61/62/1023466162.db2.gz KKCYHILQECOWEM-DUXPYHPUSA-N -1 0 309.730 3.911 20 30 DHEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cccc(C)c1 ZINC000125254081 1023470609 /nfs/dbraw/zinc/47/06/09/1023470609.db2.gz WPSFJTZFJANPGL-MRXNPFEDSA-N -1 0 316.360 3.990 20 30 DHEDRM CCCCc1ccc(N(C)C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000785605982 1023593763 /nfs/dbraw/zinc/59/37/63/1023593763.db2.gz NZVATQLDSVWFLW-UHFFFAOYSA-N -1 0 308.381 3.883 20 30 DHEDRM Cc1ncsc1C(=O)/C=C\c1cccc(C(=O)[O-])c1Cl ZINC000787170091 1023768232 /nfs/dbraw/zinc/76/82/32/1023768232.db2.gz RNTQWYLITVIKOQ-WAYWQWQTSA-N -1 0 307.758 3.699 20 30 DHEDRM COc1ccc(C(=O)/C=C/C=C/c2ccccc2)cc1CC(=O)[O-] ZINC000746684401 1023795525 /nfs/dbraw/zinc/79/55/25/1023795525.db2.gz PEIDXBFMCIDLAR-NXZHAISVSA-N -1 0 322.360 3.775 20 30 DHEDRM O=C(C=Cc1ncc(C(F)(F)F)s1)c1sccc1[O-] ZINC000788354952 1023875062 /nfs/dbraw/zinc/87/50/62/1023875062.db2.gz OUMJZXLBMAQZFX-UPHRSURJSA-N -1 0 305.302 3.825 20 30 DHEDRM O=C(/C=C/c1ncc(C(F)(F)F)s1)c1cc(F)ccc1[O-] ZINC000788354656 1023876242 /nfs/dbraw/zinc/87/62/42/1023876242.db2.gz GPCPVLUSYNBPDZ-ONEGZZNKSA-N -1 0 317.263 3.903 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2nc(Cl)cs2)n1 ZINC000789435286 1024081641 /nfs/dbraw/zinc/08/16/41/1024081641.db2.gz HNGVHJVVSPLNHR-SSDOTTSWSA-N -1 0 311.819 3.866 20 30 DHEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2ccsc2Cl)c1 ZINC000790215784 1024244980 /nfs/dbraw/zinc/24/49/80/1024244980.db2.gz PZFWZHAWTKBMRC-SNAWJCMRSA-N -1 0 322.769 3.761 20 30 DHEDRM O=C(/C=C/c1ccc(OCC2CC2)cc1)c1ccc(O)cc1[O-] ZINC000790222049 1024256271 /nfs/dbraw/zinc/25/62/71/1024256271.db2.gz LMQZXNIPYIRNTB-BJMVGYQFSA-N -1 0 310.349 3.783 20 30 DHEDRM CC(C)c1ncsc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000453588440 1024545860 /nfs/dbraw/zinc/54/58/60/1024545860.db2.gz LOHAPWJTVZESNA-NSHDSACASA-N -1 0 324.409 3.643 20 30 DHEDRM Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)nn1C(C)C ZINC000453691717 1024565539 /nfs/dbraw/zinc/56/55/39/1024565539.db2.gz KUXHBYGSHSORAD-LBPRGKRZSA-N -1 0 316.430 3.842 20 30 DHEDRM Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000060489196 1024594780 /nfs/dbraw/zinc/59/47/80/1024594780.db2.gz QUMAPVFGRWOHSR-UHFFFAOYSA-N -1 0 323.801 3.650 20 30 DHEDRM O=C1c2ccc(Cl)cc2C/C1=C/c1cc([O-])ccc1[N+](=O)[O-] ZINC000772808815 1024736830 /nfs/dbraw/zinc/73/68/30/1024736830.db2.gz XICPJYLEWOYYLU-WDZFZDKYSA-N -1 0 315.712 3.776 20 30 DHEDRM CC(C)O[C@@H](CN=Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000792867981 1024810736 /nfs/dbraw/zinc/81/07/36/1024810736.db2.gz ZOEONLPRAYPLGE-KRWDZBQOSA-N -1 0 312.369 3.949 20 30 DHEDRM CC[C@@H](NN=C(C)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000793079864 1024876092 /nfs/dbraw/zinc/87/60/92/1024876092.db2.gz URVLEQXAHKZUIU-LLVKDONJSA-N -1 0 322.714 3.536 20 30 DHEDRM CCC(=NN[C@H](CC)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000793070372 1024876114 /nfs/dbraw/zinc/87/61/14/1024876114.db2.gz ADYALKLHUCKKMV-GFCCVEGCSA-N -1 0 303.189 3.560 20 30 DHEDRM CCc1ccc2occ(C([O-])=C(C#N)c3cc(C)nc(C)n3)c2c1 ZINC000353536479 1025111793 /nfs/dbraw/zinc/11/17/93/1025111793.db2.gz XSMYLNCNEKGUJU-HNNXBMFYSA-N -1 0 319.364 3.892 20 30 DHEDRM C=CCCCS(=O)(=O)[N-]c1nc(C)c(-c2ccccc2)s1 ZINC000794018427 1025212990 /nfs/dbraw/zinc/21/29/90/1025212990.db2.gz UXSKXCKCFGRRPV-UHFFFAOYSA-N -1 0 322.455 3.826 20 30 DHEDRM N#CC(=C([O-])c1ccc(-c2ccc(F)cc2)o1)c1ccccn1 ZINC000041493411 1025404200 /nfs/dbraw/zinc/40/42/00/1025404200.db2.gz WYQBHSVHKNPDMD-AWEZNQCLSA-N -1 0 306.296 3.971 20 30 DHEDRM N#CC(=C([O-])c1cc(-c2ccccc2Cl)[nH]n1)c1ccccn1 ZINC000041480718 1025405283 /nfs/dbraw/zinc/40/52/83/1025405283.db2.gz SNFJEGALNBRKER-GFCCVEGCSA-N -1 0 322.755 3.615 20 30 DHEDRM N#CC(=C([O-])c1ccc2c(c1)CCC2)c1nc2ccccc2o1 ZINC000041544781 1025411536 /nfs/dbraw/zinc/41/15/36/1025411536.db2.gz WSZZYUFCSJZUFZ-HNNXBMFYSA-N -1 0 302.333 3.807 20 30 DHEDRM N#CC(=C([O-])c1ccc(-c2ccccc2Cl)o1)c1ccncn1 ZINC000354458682 1025434479 /nfs/dbraw/zinc/43/44/79/1025434479.db2.gz CHIDRQQUSYWMIO-GFCCVEGCSA-N -1 0 323.739 3.880 20 30 DHEDRM N#CCc1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC000805260676 1025567178 /nfs/dbraw/zinc/56/71/78/1025567178.db2.gz WVGLYFAEDPUHNL-UHFFFAOYSA-N -1 0 304.708 3.503 20 30 DHEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\CCC2(F)CCC2)c1[O-] ZINC000806551775 1025917216 /nfs/dbraw/zinc/91/72/16/1025917216.db2.gz WQAHMIKAHCNTPW-PXNMLYILSA-N -1 0 300.717 3.655 20 30 DHEDRM O=C([O-])c1cccc(C(=O)C=Cc2c[nH]c(-c3ccccc3)n2)c1 ZINC000806558401 1025919592 /nfs/dbraw/zinc/91/95/92/1025919592.db2.gz BLFILLUTPJUUGY-KTKRTIGZSA-N -1 0 318.332 3.671 20 30 DHEDRM N#Cc1ccc(/C=C2\C[C@@H](C(=O)[O-])c3ccccc3C2=O)c(F)c1 ZINC000806560213 1025920836 /nfs/dbraw/zinc/92/08/36/1025920836.db2.gz JKSDDOVFVXBHAL-WDBUWWRISA-N -1 0 321.307 3.536 20 30 DHEDRM COc1ccccc1/C=C1\C[C@@H](C(=O)[O-])c2ccccc2C1=O ZINC000806559313 1025921246 /nfs/dbraw/zinc/92/12/46/1025921246.db2.gz AELHMJKMURWFFD-QSOAKEGCSA-N -1 0 308.333 3.533 20 30 DHEDRM CC(C)N(C)c1ccc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC000806558868 1025921829 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CCC(=NN[C@H]1CCSC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000808002930 1026173170 /nfs/dbraw/zinc/17/31/70/1026173170.db2.gz GWQLUAPNWCCELF-VIFPVBQESA-N -1 0 319.257 3.908 20 30 DHEDRM CCc1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)C2CCCC2)cc1 ZINC000086055452 1026192275 /nfs/dbraw/zinc/19/22/75/1026192275.db2.gz IINCCTVDQATSIH-CYBMUJFWSA-N -1 0 323.458 3.972 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1CC12CCCC2 ZINC000747480165 1026257212 /nfs/dbraw/zinc/25/72/12/1026257212.db2.gz QZDAGWPNCHLRSJ-LSDHHAIUSA-N -1 0 320.392 3.948 20 30 DHEDRM Cc1cccc2c1C/C(=C/c1cccc(OCCC(=O)[O-])c1)C2=O ZINC000729149879 1026382851 /nfs/dbraw/zinc/38/28/51/1026382851.db2.gz GNNYWYLICPWGLQ-GDNBJRDFSA-N -1 0 322.360 3.671 20 30 DHEDRM Cc1cc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)c(C)s1 ZINC000809152387 1026467640 /nfs/dbraw/zinc/46/76/40/1026467640.db2.gz GFIFHUQFHAOICT-HYXAFXHYSA-N -1 0 302.351 3.665 20 30 DHEDRM C[C@H](Oc1ccc(/C=C2/C(=O)c3ccccc3[C@@H]2C)cc1)C(=O)[O-] ZINC000809159593 1026471517 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O=C(/C=C/C=C/c1ccc(F)c(F)c1)c1ccc(O)cc1[O-] ZINC000794703132 1034391977 /nfs/dbraw/zinc/39/19/77/1034391977.db2.gz SQACSROZZYOVKM-ZPUQHVIOSA-N -1 0 302.276 3.828 20 30 DHEDRM CCc1cccc2c1OC/C(=C\c1cc(C(=O)[O-])cs1)C2=O ZINC000794727353 1034422582 /nfs/dbraw/zinc/42/25/82/1034422582.db2.gz HSHKGTCBAVFGRJ-IZZDOVSWSA-N -1 0 314.362 3.667 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1Nc1cc(C#N)cn1C(C)(C)C ZINC001174670302 1034541371 /nfs/dbraw/zinc/54/13/71/1034541371.db2.gz JCAYZWVMVRUEKD-UHFFFAOYSA-N -1 0 313.357 3.565 20 30 DHEDRM COc1cc(Nc2ccc(C#N)c3ncccc23)ccc1C(=O)[O-] ZINC001174687645 1034549827 /nfs/dbraw/zinc/54/98/27/1034549827.db2.gz AYXLIIRBGPVCAJ-UHFFFAOYSA-N -1 0 319.320 3.557 20 30 DHEDRM COc1cc(Nc2cc(Cl)cc(C#N)c2)ccc1C(=O)[O-] ZINC001174686422 1034550155 /nfs/dbraw/zinc/55/01/55/1034550155.db2.gz CFMGWBHCNNVNQJ-UHFFFAOYSA-N -1 0 302.717 3.662 20 30 DHEDRM COc1cc(Nc2cccc(C(C)(C)C#N)c2)ccc1C(=O)[O-] ZINC001174685219 1034550200 /nfs/dbraw/zinc/55/02/00/1034550200.db2.gz 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C#Cc1cccc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)c1 ZINC001175977720 1035172761 /nfs/dbraw/zinc/17/27/61/1035172761.db2.gz ZNYRLUKJUSIKRS-UHFFFAOYSA-N -1 0 323.373 3.811 20 30 DHEDRM N#Cc1c(F)cc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1F ZINC001176596620 1035293569 /nfs/dbraw/zinc/29/35/69/1035293569.db2.gz GVRHLARSDDGGCF-ZZXKWVIFSA-N -1 0 300.264 3.678 20 30 DHEDRM C=CCOC(=O)c1ccc(Nc2ccc(C(=O)[O-])cc2)c(F)c1 ZINC001176713038 1035326885 /nfs/dbraw/zinc/32/68/85/1035326885.db2.gz YFXRGYGKYBSQCQ-UHFFFAOYSA-N -1 0 315.300 3.610 20 30 DHEDRM N#CCCc1ccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC001178220112 1035417771 /nfs/dbraw/zinc/41/77/71/1035417771.db2.gz ONRJITVAXKFDJI-UHFFFAOYSA-N -1 0 323.377 3.825 20 30 DHEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)s1 ZINC000026547972 1035421132 /nfs/dbraw/zinc/42/11/32/1035421132.db2.gz CYFDBLHVOOWPEG-UHFFFAOYSA-N -1 0 320.439 3.659 20 30 DHEDRM Oc1ccc(F)c(C=NNc2ccc(F)c(F)c2F)c1F ZINC000814945996 1035493238 /nfs/dbraw/zinc/49/32/38/1035493238.db2.gz 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C[C@@H](NC(=O)c1cccc(C#N)c1[O-])c1cccc(Cl)c1F ZINC001193652682 1035695671 /nfs/dbraw/zinc/69/56/71/1035695671.db2.gz LVNPYIRBCUWTTH-SECBINFHSA-N -1 0 318.735 3.547 20 30 DHEDRM C=CCSCC(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001180560595 1035718424 /nfs/dbraw/zinc/71/84/24/1035718424.db2.gz UKXYSYVXGQIGMF-UHFFFAOYSA-N -1 0 306.214 3.865 20 30 DHEDRM N#Cc1ccc([O-])c(NC(=O)c2cccc(-c3ccoc3)c2)c1 ZINC000089846890 1035740989 /nfs/dbraw/zinc/74/09/89/1035740989.db2.gz WFTUSLHUJSRNEH-UHFFFAOYSA-N -1 0 304.305 3.776 20 30 DHEDRM Cc1c(Cl)cc(NC(=O)c2cncc(C#N)c2)c([O-])c1Cl ZINC001194113377 1035834390 /nfs/dbraw/zinc/83/43/90/1035834390.db2.gz OZEFSTUWVMGCGI-UHFFFAOYSA-N -1 0 322.151 3.526 20 30 DHEDRM Cc1cn(CCC(=O)Nc2ccc(O)c(C#N)c2)c2ccccc12 ZINC001181211630 1035866733 /nfs/dbraw/zinc/86/67/33/1035866733.db2.gz WQNQOWYMFJXSRJ-UHFFFAOYSA-N -1 0 319.364 3.556 20 30 DHEDRM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1ccc(C(F)(F)F)o1 ZINC001194418398 1035924216 /nfs/dbraw/zinc/92/42/16/1035924216.db2.gz 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20 30 DHEDRM N#Cc1oc2ccccc2c1[N-]C(=O)c1cnoc1C(F)(F)F ZINC001199050004 1037188136 /nfs/dbraw/zinc/18/81/36/1037188136.db2.gz SBYXQXMGGHIQOY-UHFFFAOYSA-N -1 0 321.214 3.564 20 30 DHEDRM CC1(C)CCC(CC(=O)Nc2cc(C#N)c(F)cc2[O-])CC1 ZINC001185975590 1037280871 /nfs/dbraw/zinc/28/08/71/1037280871.db2.gz SOFOKQZCGDZAHH-UHFFFAOYSA-N -1 0 304.365 3.948 20 30 DHEDRM N#Cc1cc(F)c(NC(=O)c2cccc([S-])c2)c(Cl)c1 ZINC001186152174 1037326318 /nfs/dbraw/zinc/32/63/18/1037326318.db2.gz FLYAMVOESWTVQG-UHFFFAOYSA-N -1 0 306.749 3.892 20 30 DHEDRM CSc1ccc(NC(=S)NC2=C(C#N)C(=O)CS2)cc1 ZINC001201174389 1037553992 /nfs/dbraw/zinc/55/39/92/1037553992.db2.gz DUNNDMQEJSXDPN-UHFFFAOYSA-N -1 0 321.452 3.856 20 30 DHEDRM CC(CC(C)(C)c1ccccc1)=NNc1cnnc([O-])c1Cl ZINC000915957182 1037613936 /nfs/dbraw/zinc/61/39/36/1037613936.db2.gz GDVUTLQOGMNNTL-UHFFFAOYSA-N -1 0 318.808 3.991 20 30 DHEDRM COc1ccc(F)cc1[C@H](C)/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000915981301 1037631286 /nfs/dbraw/zinc/63/12/86/1037631286.db2.gz 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ZINC001192853923 1038709200 /nfs/dbraw/zinc/70/92/00/1038709200.db2.gz XXVRDQJDITVYNR-UHFFFAOYSA-N -1 0 314.247 3.541 20 30 DHEDRM N#Cc1ccc(N2CCC(c3ccccc3C(=O)[O-])CC2)c(F)c1 ZINC000591327188 1038803177 /nfs/dbraw/zinc/80/31/77/1038803177.db2.gz SDDTZJQDAFPAHK-UHFFFAOYSA-N -1 0 324.355 3.780 20 30 DHEDRM Cc1cccc(C2(C(=O)[N-]S(=O)(=O)C3CCCCC3)CC2)c1 ZINC000058081107 1038918573 /nfs/dbraw/zinc/91/85/73/1038918573.db2.gz GQRZGABHQGLFGK-UHFFFAOYSA-N -1 0 321.442 3.646 20 30 DHEDRM CCCCS[C@@H](C)C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000058081040 1038921969 /nfs/dbraw/zinc/92/19/69/1038921969.db2.gz BFUDDTHDCRRWOE-NSHDSACASA-N -1 0 307.481 3.527 20 30 DHEDRM Cc1[n-]n(Cc2ccc(Cl)cc2Cl)c(=O)c1CCC#N ZINC000603920705 1039230629 /nfs/dbraw/zinc/23/06/29/1039230629.db2.gz DDCHIBSNWXCBIW-GFCCVEGCSA-N -1 0 310.184 3.631 20 30 DHEDRM O=C(CCC1CCCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000046708850 1039934157 /nfs/dbraw/zinc/93/41/57/1039934157.db2.gz OYONSHDFLDIHHP-UHFFFAOYSA-N -1 0 315.822 3.956 20 30 DHEDRM O=C([O-])CCOc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1 ZINC000060212479 1040492353 /nfs/dbraw/zinc/49/23/53/1040492353.db2.gz XPASWPSDUYWXHX-RUDMXATFSA-N -1 0 314.312 3.575 20 30 DHEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C)C2)s1 ZINC000076760410 1040764985 /nfs/dbraw/zinc/76/49/85/1040764985.db2.gz XJDQWOOZUHVGEQ-KOLCDFICSA-N -1 0 301.433 3.528 20 30 DHEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C)C2)s1 ZINC000076760402 1040767234 /nfs/dbraw/zinc/76/72/34/1040767234.db2.gz XJDQWOOZUHVGEQ-GXSJLCMTSA-N -1 0 301.433 3.528 20 30 DHEDRM Cc1[n-]n(Cc2cc(Cl)ccc2Cl)c(=O)c1CCC#N ZINC000601948413 1040831647 /nfs/dbraw/zinc/83/16/47/1040831647.db2.gz YCWQFRNVGCEFON-GFCCVEGCSA-N -1 0 310.184 3.631 20 30 DHEDRM C[C@@H]1N(C(=O)c2ccc(C#N)c([O-])c2)c2ccccc2C1(C)C ZINC000598272903 1041147199 /nfs/dbraw/zinc/14/71/99/1041147199.db2.gz ATOPGVLRTCNCLL-LBPRGKRZSA-N -1 0 306.365 3.590 20 30 DHEDRM Cc1cc(C[NH2+][C@H](CCC(=O)[O-])c2ccccc2)ccc1C#N ZINC000417605969 335006701 /nfs/dbraw/zinc/00/67/01/335006701.db2.gz ZTPDURHOHFNRMG-GOSISDBHSA-N -1 0 308.381 3.562 20 30 DHEDRM C[C@H](CC(=O)[O-])c1ccc(NCc2cc(C#N)cs2)cc1 ZINC000417611254 335010885 /nfs/dbraw/zinc/01/08/85/335010885.db2.gz ORMBFKFGCHBUJB-LLVKDONJSA-N -1 0 300.383 3.810 20 30 DHEDRM CSCc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000041520682 183196525 /nfs/dbraw/zinc/19/65/25/183196525.db2.gz KDYYWSOWDNLVBH-CYBMUJFWSA-N -1 0 302.424 3.805 20 30 DHEDRM COc1ccc(N(CC(C)C)C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442943679 338439855 /nfs/dbraw/zinc/43/98/55/338439855.db2.gz NVRNHRYIOPKAIY-UHFFFAOYSA-N -1 0 324.380 3.575 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2conc2C2CC2)n1 ZINC000521375790 331556809 /nfs/dbraw/zinc/55/68/09/331556809.db2.gz ABLBVAXVAWHFFV-SNVBAGLBSA-N -1 0 301.371 3.622 20 30 DHEDRM C=CCCO[C@@H](C)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000237574441 332375065 /nfs/dbraw/zinc/37/50/65/332375065.db2.gz JMBXLVMUTHHXFM-JTQLQIEISA-N -1 0 319.382 3.519 20 30 DHEDRM Cc1c(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)cnn1C(C)(C)C ZINC000188869234 333252732 /nfs/dbraw/zinc/25/27/32/333252732.db2.gz HQIDGFGDYQEFME-AATRIKPKSA-N -1 0 320.339 3.826 20 30 DHEDRM N#Cc1ccc(NCCCCCC(=O)[O-])c(C(F)(F)F)c1 ZINC000416428908 334667714 /nfs/dbraw/zinc/66/77/14/334667714.db2.gz SMQQFLIPXULFML-UHFFFAOYSA-N -1 0 300.280 3.634 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2coc(C3CCCC3)n2)n1 ZINC000328718450 334748096 /nfs/dbraw/zinc/74/80/96/334748096.db2.gz VALMSZDGIMLXJV-NSHDSACASA-N -1 0 301.371 3.587 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2coc(C3CCCC3)n2)n1 ZINC000328718449 334748128 /nfs/dbraw/zinc/74/81/28/334748128.db2.gz VALMSZDGIMLXJV-LLVKDONJSA-N -1 0 301.371 3.587 20 30 DHEDRM CC[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)C1CCOCC1 ZINC000331233136 334848873 /nfs/dbraw/zinc/84/88/73/334848873.db2.gz JSCWUTGPDVREHF-ZDUSSCGKSA-N -1 0 315.772 3.695 20 30 DHEDRM CCSc1cccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1 ZINC000343918441 335202133 /nfs/dbraw/zinc/20/21/33/335202133.db2.gz OPXLZHWNCJFROO-HNNXBMFYSA-N -1 0 311.410 3.696 20 30 DHEDRM Cc1cc(C(C#N)=C([O-])c2ccc(-c3ccccc3)o2)nc(C)n1 ZINC000344461141 335250607 /nfs/dbraw/zinc/25/06/07/335250607.db2.gz YBJKOOCYPMEDSJ-OAHLLOKOSA-N -1 0 317.348 3.844 20 30 DHEDRM CCc1cccnc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000346941307 335451659 /nfs/dbraw/zinc/45/16/59/335451659.db2.gz LFERWQUQYAGNLU-LBPRGKRZSA-N -1 0 319.286 3.548 20 30 DHEDRM N#Cc1ccc(C(=O)Nc2cccc(NC3CCCC3)c2)cc1[O-] ZINC000191049900 335541886 /nfs/dbraw/zinc/54/18/86/335541886.db2.gz GIBSLALPJLXSOC-UHFFFAOYSA-N -1 0 321.380 3.871 20 30 DHEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C/C=C/c1ccc(F)cc1F ZINC000351473187 336036548 /nfs/dbraw/zinc/03/65/48/336036548.db2.gz CJKVSUMCTUZKOR-ZPUQHVIOSA-N -1 0 312.275 3.656 20 30 DHEDRM CC(C)c1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)n1 ZINC000354489781 336472713 /nfs/dbraw/zinc/47/27/13/336472713.db2.gz GPIPXMKWGVAOIA-LBPRGKRZSA-N -1 0 305.337 3.836 20 30 DHEDRM CC(C)c1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)nc1 ZINC000355403344 336507496 /nfs/dbraw/zinc/50/74/96/336507496.db2.gz INXVTCAOQBBWFK-AWEZNQCLSA-N -1 0 316.364 3.638 20 30 DHEDRM Cc1coc(C)c1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362133326 336785329 /nfs/dbraw/zinc/78/53/29/336785329.db2.gz JBXSHYWWTMMQIL-LLVKDONJSA-N -1 0 308.259 3.800 20 30 DHEDRM N#C[C@@H](C(=O)c1cc(Cl)ccc1OC(F)F)c1ccccn1 ZINC000176526490 337151992 /nfs/dbraw/zinc/15/19/92/337151992.db2.gz YORICFOFKGLWSC-LLVKDONJSA-N -1 0 322.698 3.826 20 30 DHEDRM CC(C)Oc1cncc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000179988465 337173026 /nfs/dbraw/zinc/17/30/26/337173026.db2.gz AIXNQHLCAMIXKF-AWEZNQCLSA-N -1 0 321.336 3.500 20 30 DHEDRM CSc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccn1 ZINC000181772837 337184671 /nfs/dbraw/zinc/18/46/71/337184671.db2.gz BTHKQTGARZKZJZ-NSHDSACASA-N -1 0 317.439 3.873 20 30 DHEDRM C=CCC1(C(=O)Nc2cc(Br)ccc2O)CCC1 ZINC000189799090 337282039 /nfs/dbraw/zinc/28/20/39/337282039.db2.gz CTDZHYDJQYPDLR-UHFFFAOYSA-N -1 0 310.191 3.840 20 30 DHEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccnc1 ZINC000191567790 337299120 /nfs/dbraw/zinc/29/91/20/337299120.db2.gz DUXDDCDLBVKPDZ-UHFFFAOYSA-N -1 0 316.426 3.734 20 30 DHEDRM Cc1noc(C)c1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430592240 338109451 /nfs/dbraw/zinc/10/94/51/338109451.db2.gz PVKFUCHTOYNQLB-JTQLQIEISA-N -1 0 303.387 3.536 20 30 DHEDRM CCc1cccnc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430615777 338109817 /nfs/dbraw/zinc/10/98/17/338109817.db2.gz DDXDITNOODLDMM-LBPRGKRZSA-N -1 0 313.426 3.888 20 30 DHEDRM Cn1cc(Cl)cc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 ZINC000430628970 338110184 /nfs/dbraw/zinc/11/01/84/338110184.db2.gz PKFFAVBFIMTNND-JTQLQIEISA-N -1 0 321.833 3.923 20 30 DHEDRM CCc1ncsc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430637642 338110203 /nfs/dbraw/zinc/11/02/03/338110203.db2.gz DCCUBBLZFGZKPT-SECBINFHSA-N -1 0 319.455 3.950 20 30 DHEDRM CC(C)c1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cn1 ZINC000435742914 338247515 /nfs/dbraw/zinc/24/75/15/338247515.db2.gz XQVCYTQOIWPSIW-ZDUSSCGKSA-N -1 0 305.337 3.836 20 30 DHEDRM CSc1c(F)cccc1C([O-])=C(C#N)c1nc(C)cs1 ZINC000435779736 338248860 /nfs/dbraw/zinc/24/88/60/338248860.db2.gz YJKIGEKMSMUOBN-SNVBAGLBSA-N -1 0 306.387 3.803 20 30 DHEDRM Cc1oc(C#N)cc1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000436145588 338259653 /nfs/dbraw/zinc/25/96/53/338259653.db2.gz VMBRSDRMMJIQRQ-UHFFFAOYSA-N -1 0 311.124 3.724 20 30 DHEDRM N#Cc1cnccc1/C=C/c1ccc([O-])c(Br)c1 ZINC000436816501 338288477 /nfs/dbraw/zinc/28/84/77/338288477.db2.gz OPMUFAPMKQTWDK-HNQUOIGGSA-N -1 0 301.143 3.592 20 30 DHEDRM C=CCN(CCc1ccco1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000437002930 338297384 /nfs/dbraw/zinc/29/73/84/338297384.db2.gz QUWOAEHXNQTKLJ-UHFFFAOYSA-N -1 0 305.761 3.510 20 30 DHEDRM C=CCN(Cc1ccccc1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000156072270 338334179 /nfs/dbraw/zinc/33/41/79/338334179.db2.gz DDCLLORRFGQVHJ-UHFFFAOYSA-N -1 0 301.773 3.874 20 30 DHEDRM C[C@H](C(=O)Nc1cc(Cl)c([O-])cc1F)c1cccc(C#N)c1 ZINC000462466928 339079515 /nfs/dbraw/zinc/07/95/15/339079515.db2.gz YIWJFKUOZPPLEI-VIFPVBQESA-N -1 0 318.735 3.799 20 30 DHEDRM C=CCC[C@H](C(=O)N=c1nc(CCC)[n-]s1)c1ccccc1 ZINC000466929916 339221862 /nfs/dbraw/zinc/22/18/62/339221862.db2.gz DQWCZLNWURVQLS-AWEZNQCLSA-N -1 0 315.442 3.601 20 30 DHEDRM CCc1cccc2c(/C=C\c3nc(C(=O)[O-])ccc3C#N)c[nH]c21 ZINC000509690043 340277180 /nfs/dbraw/zinc/27/71/80/340277180.db2.gz BKLJEVLXHMPRTD-FPLPWBNLSA-N -1 0 317.348 3.866 20 30 DHEDRM N#Cc1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000220321452 340516024 /nfs/dbraw/zinc/51/60/24/340516024.db2.gz HVGCVQQMSRDJGM-UHFFFAOYSA-N -1 0 307.136 3.823 20 30 DHEDRM CCc1cccc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)c1 ZINC000189316234 340533676 /nfs/dbraw/zinc/53/36/76/340533676.db2.gz GREWHZNXQWWMRM-UHFFFAOYSA-N -1 0 311.429 3.953 20 30 DHEDRM CCc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)oc1CC ZINC000190886777 340547828 /nfs/dbraw/zinc/54/78/28/340547828.db2.gz YFUNDQLAFLCMCX-CYBMUJFWSA-N -1 0 319.364 3.838 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1CCCC12CC2 ZINC000528912053 340738725 /nfs/dbraw/zinc/73/87/25/340738725.db2.gz HSZDIUJDYCUTOQ-HUUCEWRRSA-N -1 0 320.392 3.948 20 30 DHEDRM Cc1nn(C(C)C)cc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000569116824 341691253 /nfs/dbraw/zinc/69/12/53/341691253.db2.gz JANKRQMBWXVGAK-MRXNPFEDSA-N -1 0 318.380 3.811 20 30 DHEDRM N#CCC[C@@H](NC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1 ZINC000821320024 598177727 /nfs/dbraw/zinc/17/77/27/598177727.db2.gz GLCXKXNNJOVORS-OAHLLOKOSA-N -1 0 323.352 3.551 20 30 DHEDRM C=CCCC(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C1CC1 ZINC000736098182 599808999 /nfs/dbraw/zinc/80/89/99/599808999.db2.gz UUCRODKUOXYCQO-UHFFFAOYSA-N -1 0 313.353 3.854 20 30 DHEDRM CC[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1C)C(=O)[O-] ZINC000736924599 599815308 /nfs/dbraw/zinc/81/53/08/599815308.db2.gz NMXUHHUCAFVICH-QGZVFWFLSA-N -1 0 324.380 3.721 20 30 DHEDRM C=CCOc1cccc(NC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000736114530 599908943 /nfs/dbraw/zinc/90/89/43/599908943.db2.gz WBJZRHPHCVSKHX-UHFFFAOYSA-N -1 0 312.325 3.594 20 30 DHEDRM N#Cc1c(F)cccc1Nc1cccc(CSCC(=O)[O-])c1 ZINC000739092563 599960347 /nfs/dbraw/zinc/96/03/47/599960347.db2.gz GGWFGIYJYRNJAY-UHFFFAOYSA-N -1 0 316.357 3.759 20 30 DHEDRM C=CCN(CC1CCCCC1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736108267 600449621 /nfs/dbraw/zinc/44/96/21/600449621.db2.gz RBZCAJNKNSAEDE-UHFFFAOYSA-N -1 0 316.401 3.985 20 30 DHEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCC[C@H]2c2ccsc2)cc1 ZINC000739103345 600565449 /nfs/dbraw/zinc/56/54/49/600565449.db2.gz AATPOYNMMBJLRS-JKSUJKDBSA-N -1 0 312.394 3.583 20 30 DHEDRM COc1ccc2[nH]cc(C(=O)/C=C\c3ccc(C(=O)[O-])cc3)c2c1 ZINC000734308305 600566812 /nfs/dbraw/zinc/56/68/12/600566812.db2.gz XLIYXIUTJJXQDN-WTKPLQERSA-N -1 0 321.332 3.771 20 30 DHEDRM CCOc1ccc(Cl)cc1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000737202040 600580453 /nfs/dbraw/zinc/58/04/53/600580453.db2.gz DWJGVEIDGKAJSL-GQCTYLIASA-N -1 0 320.728 3.926 20 30 DHEDRM N#Cc1ccc([C@@H](Nc2ccc(Cl)c(F)c2)C(=O)[O-])cc1 ZINC000739111904 600595076 /nfs/dbraw/zinc/59/50/76/600595076.db2.gz WCSSBSBFMMFHLL-CQSZACIVSA-N -1 0 304.708 3.589 20 30 DHEDRM C=CCCC(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000825664873 600656241 /nfs/dbraw/zinc/65/62/41/600656241.db2.gz OZPIYYXMZIYYHB-GFCCVEGCSA-N -1 0 303.141 3.629 20 30 DHEDRM Cc1cc(C)c(C#N)c(S[C@@H](C(=O)[O-])c2ccccc2F)n1 ZINC000832875639 600832219 /nfs/dbraw/zinc/83/22/19/600832219.db2.gz VKRXNCBELDBISQ-CQSZACIVSA-N -1 0 316.357 3.627 20 30 DHEDRM N#Cc1ccc(C(=O)Oc2cc3ccccc3cc2C(=O)[O-])s1 ZINC000833071022 601276123 /nfs/dbraw/zinc/27/61/23/601276123.db2.gz COSHCKMLBIPKJZ-UHFFFAOYSA-N -1 0 323.329 3.690 20 30 DHEDRM CC(C)COc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cc1 ZINC000826900357 601330377 /nfs/dbraw/zinc/33/03/77/601330377.db2.gz AUBGNFNWGROPLW-POHAHGRESA-N -1 0 313.353 3.644 20 30 DHEDRM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)[nH]1 ZINC000833095062 601331181 /nfs/dbraw/zinc/33/11/81/601331181.db2.gz OYSWXQKLSASROS-YRNVUSSQSA-N -1 0 324.380 3.599 20 30 DHEDRM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(SC(F)F)cc2)[nH]1 ZINC000833093781 601332713 /nfs/dbraw/zinc/33/27/13/601332713.db2.gz AZOTZUGXFGOJOB-XBXARRHUSA-N -1 0 323.320 3.924 20 30 DHEDRM O=C([O-])c1cc(/C=C2/CSc3ccc(Cl)cc3C2=O)c[nH]1 ZINC000833297591 601792413 /nfs/dbraw/zinc/79/24/13/601792413.db2.gz HFCYFVQZPVYRKM-OQFOIZHKSA-N -1 0 319.769 3.738 20 30 DHEDRM Cc1ccc(OC(F)F)c(C(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC000832951407 601881822 /nfs/dbraw/zinc/88/18/22/601881822.db2.gz VZWJVJCZAGRVJD-HWKANZROSA-N -1 0 322.263 3.784 20 30 DHEDRM Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccc(C(=O)[O-])o1)CCO2 ZINC000832874038 601952377 /nfs/dbraw/zinc/95/23/77/601952377.db2.gz FBHNMAIDSUQQDS-XFXZXTDPSA-N -1 0 312.321 3.643 20 30 DHEDRM Cc1ccccc1C(=O)/C=C/c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000832976152 602107519 /nfs/dbraw/zinc/10/75/19/602107519.db2.gz GWUYIFVJRXATRC-TZIYXEQSSA-N -1 0 310.349 3.743 20 30 DHEDRM C=CCC(CC=C)C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000825664821 602182026 /nfs/dbraw/zinc/18/20/26/602182026.db2.gz MSIRQXWUPDKLTQ-UHFFFAOYSA-N -1 0 322.430 3.846 20 30 DHEDRM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)o2)[nH]1 ZINC000833312329 602300631 /nfs/dbraw/zinc/30/06/31/602300631.db2.gz NVTGWMNMAYLTLU-VQHVLOKHSA-N -1 0 307.305 3.869 20 30 DHEDRM CCOc1cccc(C=Nc2ccc(NC(=O)[O-])cc2)c1O ZINC000739502410 602430210 /nfs/dbraw/zinc/43/02/10/602430210.db2.gz ABWAGWNKBOIKND-UHFFFAOYSA-N -1 0 300.314 3.631 20 30 DHEDRM N#Cc1cccc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)c1 ZINC000740323024 603200604 /nfs/dbraw/zinc/20/06/04/603200604.db2.gz JSVWEZPHULDHAZ-UHFFFAOYSA-N -1 0 315.716 3.554 20 30 DHEDRM C=CCN(CC1CCCCC1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000825682133 604269944 /nfs/dbraw/zinc/26/99/44/604269944.db2.gz OTPRVQJHLURKBA-UHFFFAOYSA-N -1 0 319.376 3.732 20 30 DHEDRM C[C@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)[C@H](c2ccco2)C1 ZINC000833616128 604611018 /nfs/dbraw/zinc/61/10/18/604611018.db2.gz QLKFCUXEBSFQLJ-GUYCJALGSA-N -1 0 324.380 3.823 20 30 DHEDRM C=CCOc1cccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000825702100 604625986 /nfs/dbraw/zinc/62/59/86/604625986.db2.gz DAZDFANDPZHHJX-IZZDOVSWSA-N -1 0 308.333 3.846 20 30 DHEDRM COc1ccccc1/C=C/C=C/C(=O)c1ccc(C(=O)[O-])cc1 ZINC000832602735 604627093 /nfs/dbraw/zinc/62/70/93/604627093.db2.gz WJIMPAYJSRMIPW-JHMJBTLWSA-N -1 0 308.333 3.846 20 30 DHEDRM CCCn1nc(C)c(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)c1C ZINC000829590808 604627346 /nfs/dbraw/zinc/62/73/46/604627346.db2.gz FPESGNILCSNDQU-MDZDMXLPSA-N -1 0 312.369 3.504 20 30 DHEDRM CC(C)(C#N)c1ccccc1CNc1ccc(C(=O)[O-])c(F)c1 ZINC000826081577 604642614 /nfs/dbraw/zinc/64/26/14/604642614.db2.gz ZPPGPWSYTIBYLT-UHFFFAOYSA-N -1 0 312.344 3.937 20 30 DHEDRM Cc1c2ccccc2oc1C(C)N=Nc1ccc(C(=O)[O-])cn1 ZINC000763367716 604667775 /nfs/dbraw/zinc/66/77/75/604667775.db2.gz GFVFFBSUBYAGRG-UHFFFAOYSA-N -1 0 309.325 3.671 20 30 DHEDRM C=C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000190472055 604671591 /nfs/dbraw/zinc/67/15/91/604671591.db2.gz GDPQTIIIPCWADG-CRAIPNDOSA-N -1 0 323.392 3.679 20 30 DHEDRM C=C[C@H](CC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000833371613 604739367 /nfs/dbraw/zinc/73/93/67/604739367.db2.gz RTSHJGYFBPPYCT-GFCCVEGCSA-N -1 0 313.328 3.822 20 30 DHEDRM C=CCCCC(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000833373420 604881630 /nfs/dbraw/zinc/88/16/30/604881630.db2.gz OBZCDVYCTVXBEE-CYBMUJFWSA-N -1 0 316.275 3.888 20 30 DHEDRM C=CCCC[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000398214530 605076728 /nfs/dbraw/zinc/07/67/28/605076728.db2.gz LDSYNNWPEZMBHX-CYBMUJFWSA-N -1 0 318.417 3.915 20 30 DHEDRM C=CCN(Cc1ccccc1)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000833376252 605133112 /nfs/dbraw/zinc/13/31/12/605133112.db2.gz PJGYLFFDHJORAB-UHFFFAOYSA-N -1 0 324.380 3.913 20 30 DHEDRM C=CCN(CC=C)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000833374641 605137709 /nfs/dbraw/zinc/13/77/09/605137709.db2.gz VQZDVMDIJVRTJU-UHFFFAOYSA-N -1 0 306.387 3.530 20 30 DHEDRM CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1sc(C)nc1C ZINC000833386648 605156032 /nfs/dbraw/zinc/15/60/32/605156032.db2.gz OZNBGZPZARYTLG-UHFFFAOYSA-N -1 0 323.805 3.948 20 30 DHEDRM CC1(C)C(N=Nc2ccc(C(=O)[O-])c(Cl)c2)[C@H]2CCCO[C@@H]21 ZINC000833554703 605157030 /nfs/dbraw/zinc/15/70/30/605157030.db2.gz GUFMHNULHOTSDA-RISCZKNCSA-N -1 0 322.792 3.641 20 30 DHEDRM CC1(CC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)CCCCC1 ZINC000833564029 605162185 /nfs/dbraw/zinc/16/21/85/605162185.db2.gz KXKVKKWHPZXHHD-INIZCTEOSA-N -1 0 315.369 3.588 20 30 DHEDRM CN(CCC#N)c1ccc(CNc2ccc(NC(=O)[O-])cc2)cc1 ZINC000828272486 605242817 /nfs/dbraw/zinc/24/28/17/605242817.db2.gz DBHQJHZODAGTQC-UHFFFAOYSA-N -1 0 324.384 3.738 20 30 DHEDRM C=C(C)COc1cccc(NCc2ccc(NC(=O)[O-])nc2)c1 ZINC000823480549 605253216 /nfs/dbraw/zinc/25/32/16/605253216.db2.gz GGGWDBCVNIQQQC-UHFFFAOYSA-N -1 0 313.357 3.739 20 30 DHEDRM N#Cc1cccc(CNc2cc(NC(=O)[O-])ccc2F)c1F ZINC000833978307 605306293 /nfs/dbraw/zinc/30/62/93/605306293.db2.gz ISOSXQPCVHRKHX-UHFFFAOYSA-N -1 0 303.268 3.538 20 30 DHEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1nc2ccccc2s1 ZINC000833387117 605595112 /nfs/dbraw/zinc/59/51/12/605595112.db2.gz OLTICWUQBARVMK-UHFFFAOYSA-N -1 0 311.366 3.831 20 30 DHEDRM C=CCN(Cc1ccccc1)C(=O)Cc1ccccc1NC(=O)[O-] ZINC000833788420 606045554 /nfs/dbraw/zinc/04/55/54/606045554.db2.gz YSRROGRUVSCTMN-UHFFFAOYSA-N -1 0 324.380 3.534 20 30 DHEDRM CC(C)=CCCC(C)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000820005641 606433794 /nfs/dbraw/zinc/43/37/94/606433794.db2.gz VADVQAHPLDNXQS-UHFFFAOYSA-N -1 0 317.397 3.512 20 30 DHEDRM C=CC1(CC(=O)Nc2ccc(O)c(C(=O)[O-])c2)CCCCC1 ZINC001602717550 971369381 /nfs/dbraw/zinc/36/93/81/971369381.db2.gz QSLBVZPAOAMXKH-UHFFFAOYSA-N -1 0 303.358 3.556 20 30 DHEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001602718162 971372096 /nfs/dbraw/zinc/37/20/96/971372096.db2.gz DYMNLOCUNJERSG-BBRMVZONSA-N -1 0 301.386 3.558 20 30 DHEDRM C=CCC1(CNC(=O)Nc2ccccc2C(=O)[O-])CCCC1 ZINC001602718514 971375317 /nfs/dbraw/zinc/37/53/17/971375317.db2.gz ORAOKFAWKGTCHW-UHFFFAOYSA-N -1 0 302.374 3.643 20 30 DHEDRM O=C(CC1CCCC1)[N-]S(=O)(=O)c1ccccc1Cl ZINC000048518929 1013090085 /nfs/dbraw/zinc/09/00/85/1013090085.db2.gz YKVYFWGVJIXQHA-UHFFFAOYSA-N -1 0 301.795 3.566 20 30 DHEDRM N#Cc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1Cl ZINC000336851500 971515336 /nfs/dbraw/zinc/51/53/36/971515336.db2.gz UCJALJNHVICTMP-UHFFFAOYSA-N -1 0 320.776 3.575 20 30 DHEDRM CCCCCCC[C@@H](C)CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001589644848 949712300 /nfs/dbraw/zinc/71/23/00/949712300.db2.gz CJEYSLGZLJRERO-KFWWJZLASA-N -1 0 312.454 3.536 20 30 DHEDRM C=CC[C@H]1N(C(=O)/C=C/c2ccc(C(=O)[O-])o2)CCCC1(C)C ZINC000864156691 955972133 /nfs/dbraw/zinc/97/21/33/955972133.db2.gz ALXNQEHRFRDYBZ-TUPIDYKKSA-N -1 0 317.385 3.584 20 30 DHEDRM N#CCCC[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001594608911 956187751 /nfs/dbraw/zinc/18/77/51/956187751.db2.gz FUYCCKOUXPUNTD-KRWDZBQOSA-N -1 0 322.364 3.550 20 30 DHEDRM N#Cc1cnc(Oc2ccc(CC(=O)[O-])cc2)c2sccc21 ZINC001594632892 956355154 /nfs/dbraw/zinc/35/51/54/956355154.db2.gz HFSOEDYBPLRICM-UHFFFAOYSA-N -1 0 310.334 3.587 20 30 DHEDRM C=CC1(CC(=O)NCc2cccc(C(=O)[O-])c2)CCCCC1 ZINC001588452892 958428897 /nfs/dbraw/zinc/42/88/97/958428897.db2.gz SAJQPTACUTWORC-UHFFFAOYSA-N -1 0 301.386 3.528 20 30 DHEDRM C=CC[C@H](CC)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001588453315 958436733 /nfs/dbraw/zinc/43/67/33/958436733.db2.gz VBJVTPKZDRRIJJ-QMMMGPOBSA-N -1 0 314.744 3.654 20 30 DHEDRM C=CCN(CC1CCCCC1)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001588463483 958484614 /nfs/dbraw/zinc/48/46/14/958484614.db2.gz SXBSSSFDNNSZOK-LUAWRHEFSA-N -1 0 317.385 3.586 20 30 DHEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCCC(=O)[O-] ZINC001573576505 959330673 /nfs/dbraw/zinc/33/06/73/959330673.db2.gz MZQQQLMWVSKPQA-LBPRGKRZSA-N -1 0 320.414 3.664 20 30 DHEDRM C=C(C)CCC(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001573323626 962774983 /nfs/dbraw/zinc/77/49/83/962774983.db2.gz DQBYZOIZHMYMEA-INIZCTEOSA-N -1 0 309.793 3.502 20 30 DHEDRM C=CCC1(C(=O)NCc2ccc(C(=O)[O-])cc2)CCCCC1 ZINC001573328326 962810449 /nfs/dbraw/zinc/81/04/49/962810449.db2.gz GMDPVYZCYIJVDL-UHFFFAOYSA-N -1 0 301.386 3.528 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N1CCCCC[C@@H]1c1cccc(C)c1 ZINC001573332095 962824623 /nfs/dbraw/zinc/82/46/23/962824623.db2.gz IMHDCZKGJHZSPO-QGZVFWFLSA-N -1 0 315.413 3.860 20 30 DHEDRM C=CC1(CC(=O)N(CC(=O)[O-])c2ccccc2)CCCCC1 ZINC001573350719 962971077 /nfs/dbraw/zinc/97/10/77/962971077.db2.gz LNPOGKIYWWHZQI-UHFFFAOYSA-N -1 0 301.386 3.631 20 30 DHEDRM C=CCC(CC=C)C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001573351913 962983417 /nfs/dbraw/zinc/98/34/17/962983417.db2.gz YQHNBQYDLJLOSN-UHFFFAOYSA-N -1 0 311.740 3.884 20 30 DHEDRM C=CCC1(C(=O)NCc2ccc(NC(=O)[O-])cc2)CCCCC1 ZINC001573352759 962993552 /nfs/dbraw/zinc/99/35/52/962993552.db2.gz JLAPLCMQOCYJTP-UHFFFAOYSA-N -1 0 316.401 3.919 20 30 DHEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001573353241 962999266 /nfs/dbraw/zinc/99/92/66/962999266.db2.gz SNXJIDFQSKCRFP-CJNGLKHVSA-N -1 0 301.386 3.558 20 30 DHEDRM C=CCC1(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])CCCCC1 ZINC001573353507 963003454 /nfs/dbraw/zinc/00/34/54/963003454.db2.gz XNTYCCIWOZVHSB-INIZCTEOSA-N -1 0 321.461 3.910 20 30 DHEDRM C=CCCC[C@@H](NC(=O)c1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC001573364841 963051271 /nfs/dbraw/zinc/05/12/71/963051271.db2.gz CQSUDWWJYRSYFL-LLVKDONJSA-N -1 0 309.431 3.585 20 30 DHEDRM C=CCCC[C@@H](NC(=O)c1coc2ccc(CC)cc12)C(=O)[O-] ZINC001573365410 963054010 /nfs/dbraw/zinc/05/40/10/963054010.db2.gz GCXRCHMFKIIJIH-OAHLLOKOSA-N -1 0 315.369 3.535 20 30 DHEDRM C=CCCCCCCCNC(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC001573366110 963058915 /nfs/dbraw/zinc/05/89/15/963058915.db2.gz JQVWDUXAXVCLBV-UHFFFAOYSA-N -1 0 306.406 3.586 20 30 DHEDRM CCCCS[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC000048761753 1013429831 /nfs/dbraw/zinc/42/98/31/1013429831.db2.gz BXVZXLJOINAIJC-LBPRGKRZSA-N -1 0 315.460 3.562 20 30 DHEDRM C#CCCCCCCOc1ccc(/C=C\C(=O)[O-])cc1OC ZINC001588441263 964049452 /nfs/dbraw/zinc/04/94/52/964049452.db2.gz CJLZHTQUYHIIBS-BENRWUELSA-N -1 0 302.370 3.756 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2cnc(C(C)(C)C)s2)n1 ZINC000049054862 1013785731 /nfs/dbraw/zinc/78/57/31/1013785731.db2.gz RWZVGWNBIFISOO-VIFPVBQESA-N -1 0 305.428 3.696 20 30 DHEDRM CC(C)O[C@H]1CC(N=Nc2cccc(C(=O)[O-])c2F)C1(C)C ZINC001591697032 975543531 /nfs/dbraw/zinc/54/35/31/975543531.db2.gz VGLDCGHLVYLCLN-ZDUSSCGKSA-N -1 0 308.353 3.515 20 30 DHEDRM CC(C)c1ccc2ncc(C#N)c(N3CC[C@@H](C(=O)[O-])[C@H]3C)c2c1 ZINC001591981653 976597634 /nfs/dbraw/zinc/59/76/34/976597634.db2.gz UYZATOAHHCQXOS-IUODEOHRSA-N -1 0 323.396 3.529 20 30 DHEDRM CC(C)c1cnc(CN=Nc2cccc(C(=O)[O-])c2F)s1 ZINC001592002722 976654028 /nfs/dbraw/zinc/65/40/28/976654028.db2.gz DLBIHVHCSQVEOG-UHFFFAOYSA-N -1 0 307.350 3.550 20 30 DHEDRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccccc1C#Cc1ccccc1 ZINC001592396563 977959842 /nfs/dbraw/zinc/95/98/42/977959842.db2.gz WSEVQGHDKQKAKQ-HNNXBMFYSA-N -1 0 321.376 3.526 20 30 DHEDRM O=C([O-])c1ccccc1C=NOCc1ccc(C(F)(F)F)cc1 ZINC000746575321 978685774 /nfs/dbraw/zinc/68/57/74/978685774.db2.gz ASRVZLZBMIFFET-UHFFFAOYSA-N -1 0 323.270 3.954 20 30 DHEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1csc(C(C)C)n1 ZINC000768763344 978738789 /nfs/dbraw/zinc/73/87/89/978738789.db2.gz FFWZTIBMBAWSON-UHFFFAOYSA-N -1 0 303.387 3.801 20 30 DHEDRM Cc1cccnc1[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])cn2)C1 ZINC000799111350 978836027 /nfs/dbraw/zinc/83/60/27/978836027.db2.gz HRBNHELSDDKWTK-CYBMUJFWSA-N -1 0 324.384 3.609 20 30 DHEDRM O=C([O-])c1cccc(/C=C\C(=O)c2nccc3ccccc32)c1 ZINC000811698503 978855103 /nfs/dbraw/zinc/85/51/03/978855103.db2.gz KSDGNOMLFAPQPK-HJWRWDBZSA-N -1 0 303.317 3.829 20 30 DHEDRM C[C@H]1C(N=Nc2cccc(C(F)(F)F)c2)CC[C@H]1CC(=O)[O-] ZINC000814689908 978872431 /nfs/dbraw/zinc/87/24/31/978872431.db2.gz LLQJVSCQPPMJJX-ZJUUUORDSA-N -1 0 314.307 3.994 20 30 DHEDRM C[C@@H]1C(N=Nc2cccc(C(F)(F)F)c2)CC[C@@H]1CC(=O)[O-] ZINC000814689907 978872551 /nfs/dbraw/zinc/87/25/51/978872551.db2.gz LLQJVSCQPPMJJX-VHSXEESVSA-N -1 0 314.307 3.994 20 30 DHEDRM C[C@@H]1C(N=Nc2cccc3c2CCCC3)CC[C@H]1CC(=O)[O-] ZINC000814811856 978887630 /nfs/dbraw/zinc/88/76/30/978887630.db2.gz WJWVZEUQVLPAKH-JSGCOSHPSA-N -1 0 300.402 3.854 20 30 DHEDRM C[C@@H]1C(N=Nc2ccc(C(F)(F)F)cc2)CC[C@H]1CC(=O)[O-] ZINC000814882315 978895961 /nfs/dbraw/zinc/89/59/61/978895961.db2.gz NAYDAWZEHIMNMX-UWVGGRQHSA-N -1 0 314.307 3.994 20 30 DHEDRM Cc1cc([N+](=O)[O-])ccc1N=NC(C)[C@@H](C)CCCCC(=O)[O-] ZINC000814931256 978899343 /nfs/dbraw/zinc/89/93/43/978899343.db2.gz PLFMVCYJGSXAQY-NSHDSACASA-N -1 0 321.377 3.972 20 30 DHEDRM CC(N=Nc1ccc(F)c(F)c1F)c1ccc(C(=O)[O-])cc1 ZINC000814946502 978899471 /nfs/dbraw/zinc/89/94/71/978899471.db2.gz OHQUNAAFSOCTIL-UHFFFAOYSA-N -1 0 308.259 3.638 20 30 DHEDRM CCC(CC)CN(CCC#N)c1nc(Cl)c(C(=O)[O-])s1 ZINC001595111244 979455958 /nfs/dbraw/zinc/45/59/58/979455958.db2.gz BGLBWXGAUZKEQM-UHFFFAOYSA-N -1 0 315.826 3.651 20 30 DHEDRM C#CCC1(C(=O)NCCCCCCCC(=O)[O-])CCCCC1 ZINC000909468247 1014580903 /nfs/dbraw/zinc/58/09/03/1014580903.db2.gz SNRNQAXJGRQYHT-UHFFFAOYSA-N -1 0 307.434 3.502 20 30 DHEDRM C[C@H](Cc1ccc(Nc2snc(Cl)c2C#N)cc1)C(=O)[O-] ZINC001592881896 979750278 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CCCCCCCCCn1cnc2cc(C(=O)[O-])ccc2c1=O ZINC001595704362 982274324 /nfs/dbraw/zinc/27/43/24/982274324.db2.gz HSCGJHMCJYMPRA-UHFFFAOYSA-N -1 0 316.401 3.845 20 30 DHEDRM CCCCCCCC[C@H](C)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001595705186 982282864 /nfs/dbraw/zinc/28/28/64/982282864.db2.gz RAMJBHWVGUEABC-NNXHMXCWSA-N -1 0 323.477 3.989 20 30 DHEDRM CCCOc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC001595966631 983173686 /nfs/dbraw/zinc/17/36/86/983173686.db2.gz MPGZZQFZRPKDJY-QGZVFWFLSA-N -1 0 310.353 3.585 20 30 DHEDRM C#C[C@@](C)(CC)N[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001588367100 983296651 /nfs/dbraw/zinc/29/66/51/983296651.db2.gz ISNSLULEVPSVQO-OCCSQVGLSA-N -1 0 300.185 3.511 20 30 DHEDRM C#CCOc1ccccc1NCc1cc(C(=O)[O-])ccc1Cl ZINC001588505140 983549860 /nfs/dbraw/zinc/54/98/60/983549860.db2.gz VEHBMEWXNPJOKV-UHFFFAOYSA-N -1 0 315.756 3.662 20 30 DHEDRM C=C(CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-])c1ccccc1 ZINC001588637357 983759923 /nfs/dbraw/zinc/75/99/23/983759923.db2.gz 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C=CCCc1ccccc1NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001588817775 984277208 /nfs/dbraw/zinc/27/72/08/984277208.db2.gz VLAUNQCLAGCUCY-UHFFFAOYSA-N -1 0 312.369 3.701 20 30 DHEDRM C=CCN(Cc1ccc(Cl)s1)Cc1ccoc1C(=O)[O-] ZINC001588829179 984312171 /nfs/dbraw/zinc/31/21/71/984312171.db2.gz HHZDXLUEYWYKMF-UHFFFAOYSA-N -1 0 311.790 3.881 20 30 DHEDRM C[C@H](OC(=O)CC1(C#N)CCCCC1)c1ccc(C(=O)[O-])cc1 ZINC001599904051 984899180 /nfs/dbraw/zinc/89/91/80/984899180.db2.gz ZJXPIUPLLSHNPA-ZDUSSCGKSA-N -1 0 315.369 3.853 20 30 DHEDRM Cc1cccc(C(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)c1C ZINC000077880269 1015214470 /nfs/dbraw/zinc/21/44/70/1015214470.db2.gz FYSAFMOCZWBQLE-AWEZNQCLSA-N -1 0 317.410 3.699 20 30 DHEDRM Cc1ccc(CC(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)s1 ZINC000077880740 1015214622 /nfs/dbraw/zinc/21/46/22/1015214622.db2.gz IKUPSHFWAAJSRO-GFCCVEGCSA-N -1 0 323.439 3.647 20 30 DHEDRM C[C@H]1CSc2ccccc2N1Cc1cccc(C(=O)[O-])c1C#N ZINC001594612794 986613474 /nfs/dbraw/zinc/61/34/74/986613474.db2.gz 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CC1(C)CCN(C(=O)c2ccc(C#N)c([O-])c2)c2ccccc21 ZINC000572933169 1018032656 /nfs/dbraw/zinc/03/26/56/1018032656.db2.gz CUQOZSSUBBCVMP-UHFFFAOYSA-N -1 0 306.365 3.592 20 30 DHEDRM COc1ccc(C(=O)/C=C\c2ccc(C)s2)cc1CC(=O)[O-] ZINC000213556078 1018256051 /nfs/dbraw/zinc/25/60/51/1018256051.db2.gz XNCKUKOANFXJOS-SREVYHEPSA-N -1 0 316.378 3.588 20 30 DHEDRM Cc1cc(C)c(Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1C#N ZINC001203334497 1032758131 /nfs/dbraw/zinc/75/81/31/1032758131.db2.gz VMCBSZSSWFQTCN-UHFFFAOYSA-N -1 0 302.280 3.895 20 30 DHEDRM C[C@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccn1 ZINC000022768906 1018471597 /nfs/dbraw/zinc/47/15/97/1018471597.db2.gz GRMMBTWOIYZRPL-PCYPHTAMSA-N -1 0 305.721 3.529 20 30 DHEDRM N#CC(=C([O-])c1ncsc1-c1ccccc1)c1ccccn1 ZINC000527101125 1018514640 /nfs/dbraw/zinc/51/46/40/1018514640.db2.gz CWHVXGXKSCLJJE-ZDUSSCGKSA-N -1 0 305.362 3.695 20 30 DHEDRM CCO[C@@H](CC/N=C\c1cc([N+](=O)[O-])ccc1[O-])C1CCCC1 ZINC000255572719 1018597914 /nfs/dbraw/zinc/59/79/14/1018597914.db2.gz 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CCCCCCCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000851617922 1021951230 /nfs/dbraw/zinc/95/12/30/1021951230.db2.gz GGRLSSIYLYCJOJ-JYJNAYRXSA-N -1 0 309.450 3.839 20 30 DHEDRM CCC(CC)[C@H](O)C/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000110129651 1021963520 /nfs/dbraw/zinc/96/35/20/1021963520.db2.gz ZMUJODDYNXRWFM-JYINPYMRSA-N -1 0 304.217 3.915 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\[C@H]2CCc3c2cccc3F)c1 ZINC000920178435 1022068694 /nfs/dbraw/zinc/06/86/94/1022068694.db2.gz QUMPEHGLYCEKSK-QJVAEYLJSA-N -1 0 300.289 3.546 20 30 DHEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1ccc(C#N)c(C)c1)CC2 ZINC000766492685 1022126829 /nfs/dbraw/zinc/12/68/29/1022126829.db2.gz WWBKSRLKYUARJM-MDWZMJQESA-N -1 0 321.332 3.679 20 30 DHEDRM Cc1ccoc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000041557888 1022172745 /nfs/dbraw/zinc/17/27/45/1022172745.db2.gz ARTORODLWAIERM-JTQLQIEISA-N -1 0 315.279 3.823 20 30 DHEDRM Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2C)c1C#N ZINC000538364886 1033039292 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C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2)C1CC1 ZINC000068335972 1022604619 /nfs/dbraw/zinc/60/46/19/1022604619.db2.gz AAPQVDPBMWWHMI-GFCCVEGCSA-N -1 0 321.442 3.647 20 30 DHEDRM C=CC[C@H]1CCCN(C(=O)c2ccc3oc(=S)[n-]c3c2)C1 ZINC000855436675 1022633881 /nfs/dbraw/zinc/63/38/81/1022633881.db2.gz IFQCBOGTWHJMLI-NSHDSACASA-N -1 0 302.399 3.545 20 30 DHEDRM Cc1cccc2ncc(/C=C/C(=O)c3ccc([O-])c(Cl)c3)n21 ZINC000768754043 1023020682 /nfs/dbraw/zinc/02/06/82/1023020682.db2.gz AXEKFWXLVPPJJQ-SOFGYWHQSA-N -1 0 312.756 3.898 20 30 DHEDRM COc1cccc(OC)c1/C=C\C(=O)c1ccc([O-])c(Cl)c1 ZINC000768758421 1023022501 /nfs/dbraw/zinc/02/25/01/1023022501.db2.gz SWLRJAZUQKLLJA-CLFYSBASSA-N -1 0 318.756 3.959 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1CC12CCC2 ZINC000759813123 1023041747 /nfs/dbraw/zinc/04/17/47/1023041747.db2.gz FEMMEFTXEIZJME-UONOGXRCSA-N -1 0 306.365 3.558 20 30 DHEDRM CC(=NNc1c(F)cccc1Cl)c1cc([N+](=O)[O-])ccc1[O-] ZINC000769826700 1023224004 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COc1cc2c(c(C=CC(=O)c3sccc3[O-])c1)O[C@H](C)C2 ZINC000787479840 1023798511 /nfs/dbraw/zinc/79/85/11/1023798511.db2.gz LPQWDYPDZGKDLC-UMBAGQNISA-N -1 0 316.378 3.682 20 30 DHEDRM CC(=NOCc1ccc(F)cc1)c1cc(C(=O)[O-])ccc1C ZINC000788438709 1023882339 /nfs/dbraw/zinc/88/23/39/1023882339.db2.gz MMGXKPOBVHODPJ-UHFFFAOYSA-N -1 0 301.317 3.773 20 30 DHEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(C#N)cc1Cl ZINC000788406911 1023883939 /nfs/dbraw/zinc/88/39/39/1023883939.db2.gz AOSPNNMPBZWHHT-UHFFFAOYSA-N -1 0 313.744 3.746 20 30 DHEDRM CC(=NNc1ccc(F)cc1F)c1cc(C(=O)[O-])ccc1C ZINC000788407948 1023884747 /nfs/dbraw/zinc/88/47/47/1023884747.db2.gz IRVHIHWGIJYODA-UHFFFAOYSA-N -1 0 304.296 3.808 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\CC(F)(F)c2ccccc2)c1 ZINC000788674245 1023918046 /nfs/dbraw/zinc/91/80/46/1023918046.db2.gz GVYKMQQDFBDERC-NVMNQCDNSA-N -1 0 306.268 3.511 20 30 DHEDRM Cc1cc(=O)[n-]c(N=NC[C@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000788929321 1023949630 /nfs/dbraw/zinc/94/96/30/1023949630.db2.gz RSKQQWIZDCEPCV-VIFPVBQESA-N -1 0 324.306 3.711 20 30 DHEDRM CCCC(=CC(=O)[N-]S(=O)(=O)c1cccs1)CCC ZINC000092692868 1023957558 /nfs/dbraw/zinc/95/75/58/1023957558.db2.gz KLUGJDPBVMFSNB-UHFFFAOYSA-N -1 0 301.433 3.920 20 30 DHEDRM O=C([O-])[C@@H]1CCC(=NOCc2ccc(F)cc2)c2ccccc21 ZINC000789050523 1023990234 /nfs/dbraw/zinc/99/02/34/1023990234.db2.gz HOERZZSZSLCHTG-MRXNPFEDSA-N -1 0 313.328 3.709 20 30 DHEDRM C=CCOc1cccc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000213233600 1024149856 /nfs/dbraw/zinc/14/98/56/1024149856.db2.gz YOHUTNGPBYRUSO-SREVYHEPSA-N -1 0 314.362 3.907 20 30 DHEDRM O=C([O-])c1ccc(C(=O)/C=C/c2nccn2-c2ccccc2)s1 ZINC000790216376 1024245023 /nfs/dbraw/zinc/24/50/23/1024245023.db2.gz YSVTZNLJCWAMIJ-RMKNXTFCSA-N -1 0 324.361 3.528 20 30 DHEDRM O=C(/C=C\c1nccn1-c1ccccc1)c1cc(F)ccc1[O-] ZINC000790222441 1024256388 /nfs/dbraw/zinc/25/63/88/1024256388.db2.gz QINTVLASERPMCD-HJWRWDBZSA-N -1 0 308.312 3.613 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1ccc(Cl)c(F)c1 ZINC000756905762 1024363133 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20 30 DHEDRM O=C1c2cccc(Cl)c2C/C1=C\c1cc([O-])ccc1[N+](=O)[O-] ZINC000772808680 1024737655 /nfs/dbraw/zinc/73/76/55/1024737655.db2.gz VVEYPVUVTYKDBO-UXBLZVDNSA-N -1 0 315.712 3.776 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H]2CCCCC(F)(F)C2)c1 ZINC000793653238 1025128787 /nfs/dbraw/zinc/12/87/87/1025128787.db2.gz GDPPQLWDFAZTGH-IPHDDYSGSA-N -1 0 312.316 3.935 20 30 DHEDRM Cc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)cnc1Cl ZINC000760261945 1025253338 /nfs/dbraw/zinc/25/33/38/1025253338.db2.gz HRRZRNVLTZDJTC-NSCUHMNNSA-N -1 0 307.758 3.699 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2OC(F)F)n1 ZINC000041517034 1025409161 /nfs/dbraw/zinc/40/91/61/1025409161.db2.gz ROJSQTFYWKLCLV-SNVBAGLBSA-N -1 0 308.309 3.543 20 30 DHEDRM CCc1ccc(-c2ccc(C([O-])=C(C#N)c3ccncn3)o2)cc1 ZINC000354478605 1025441341 /nfs/dbraw/zinc/44/13/41/1025441341.db2.gz VKWRVKGNYMTMKG-HNNXBMFYSA-N -1 0 317.348 3.789 20 30 DHEDRM CSc1ccc(C)c(C([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000048520380 1025662104 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Cc1c(N=NC2CCC[C@H]([C@H]3CCOC3)C2)cccc1C(=O)[O-] ZINC000844623352 1031255914 /nfs/dbraw/zinc/25/59/14/1031255914.db2.gz MLGCCVMFCDBAND-KBPBESRZSA-N -1 0 316.401 3.688 20 30 DHEDRM Cc1c(N=NC2CCC[C@H]([C@@H]3CCOC3)C2)cccc1C(=O)[O-] ZINC000844623359 1031257604 /nfs/dbraw/zinc/25/76/04/1031257604.db2.gz MLGCCVMFCDBAND-UONOGXRCSA-N -1 0 316.401 3.688 20 30 DHEDRM N#C[C@H]1CCCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000928223700 1031259955 /nfs/dbraw/zinc/25/99/55/1031259955.db2.gz QGBXJDVMMWQNIG-LLVKDONJSA-N -1 0 314.772 3.575 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2cc(C(C)C)[nH]n2)n1 ZINC000080449862 1031365201 /nfs/dbraw/zinc/36/52/01/1031365201.db2.gz HRBNSEGZVWBYBL-SNVBAGLBSA-N -1 0 302.403 3.603 20 30 DHEDRM O=C([O-])c1cc(N=NC[C@H]2CCC(F)(F)C2)ccc1Cl ZINC000872325703 1031585389 /nfs/dbraw/zinc/58/53/89/1031585389.db2.gz CQPUXZOHZOUJIE-QMMMGPOBSA-N -1 0 302.708 3.871 20 30 DHEDRM Cc1c(N=NCC(C)(C)[C@H]2CCCCO2)cccc1C(=O)[O-] ZINC000872387672 1031595165 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317.142 3.763 20 30 DHEDRM C=CCC(CC=C)C(=O)Nc1n[nH]c(-c2cc3ccccc3o2)n1 ZINC000485146757 1035478880 /nfs/dbraw/zinc/47/88/80/1035478880.db2.gz YNKHOVROCBDAIZ-UHFFFAOYSA-N -1 0 322.368 3.925 20 30 DHEDRM C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](CC)C(=O)[O-] ZINC000905056971 1035479200 /nfs/dbraw/zinc/47/92/00/1035479200.db2.gz ZUPKXIKKKFNWPD-CYBMUJFWSA-N -1 0 318.417 3.771 20 30 DHEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1c2ccccc2cc2ccccc21 ZINC001193161812 1035579580 /nfs/dbraw/zinc/57/95/80/1035579580.db2.gz TVGMHJZJCTVDDY-LBPRGKRZSA-N -1 0 310.378 3.647 20 30 DHEDRM COc1cccc2c(NC(=O)c3cccc(C#N)c3[O-])cccc12 ZINC001193652954 1035694223 /nfs/dbraw/zinc/69/42/23/1035694223.db2.gz RBMWZDVJKUKELG-UHFFFAOYSA-N -1 0 318.332 3.678 20 30 DHEDRM Cc1sc([N-]S(=O)(=O)c2c(C)cccc2C)c(C#N)c1C ZINC001194604274 1035967472 /nfs/dbraw/zinc/96/74/72/1035967472.db2.gz DHAOPUSMQYOUJH-UHFFFAOYSA-N -1 0 320.439 3.654 20 30 DHEDRM O=c1c2ccccc2[n-]c(=S)n1N=CCCC1CCCCC1 ZINC000761785820 1036155524 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Cc1c(Cl)cccc1NN=Cc1ccc(OCC(=O)[O-])cc1 ZINC000915051017 1036585111 /nfs/dbraw/zinc/58/51/11/1036585111.db2.gz JSIDOPLPSBOPJX-UHFFFAOYSA-N -1 0 318.760 3.558 20 30 DHEDRM C[C@@H](CCc1ccccc1F)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000176393835 1036677382 /nfs/dbraw/zinc/67/73/82/1036677382.db2.gz JERLGCMKMMRGGX-LBPRGKRZSA-N -1 0 312.344 3.610 20 30 DHEDRM CCS[C@@H]1CCC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000176413700 1036771686 /nfs/dbraw/zinc/77/16/86/1036771686.db2.gz OVLZEWLNCZTZGE-HKVGSQCBSA-N -1 0 308.403 3.784 20 30 DHEDRM C[C@@H](NC(=O)CCC(=O)C1=CC=C[CH]1)c1cccc(Cl)c1F ZINC001184243328 1036783432 /nfs/dbraw/zinc/78/34/32/1036783432.db2.gz CWQOFFMSOURYCG-LLVKDONJSA-N -1 0 320.771 3.706 20 30 DHEDRM O=C(CCC(=O)C1=CC=C[CH]1)Nc1cncc(-c2ccccc2)c1 ZINC001184240564 1036784571 /nfs/dbraw/zinc/78/45/71/1036784571.db2.gz BTCUUWIPWXBSNE-UHFFFAOYSA-N -1 0 317.368 3.737 20 30 DHEDRM CC[C@@H](NC(=O)CCC(=O)C1=CC=C[CH]1)c1ccc(C)cc1C ZINC001184246387 1036786797 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N#Cc1cc(NC(=S)Nc2cccc(Cl)c2)c([O-])cc1F ZINC001201105665 1037529367 /nfs/dbraw/zinc/52/93/67/1037529367.db2.gz YHSMJDVSTDQOLN-UHFFFAOYSA-N -1 0 321.764 3.865 20 30 DHEDRM CC(=NNc1ccc2ccccc2n1)c1ccc(CC(=O)[O-])cc1 ZINC000915939661 1037620099 /nfs/dbraw/zinc/62/00/99/1037620099.db2.gz QILADGIUYCKDKM-UHFFFAOYSA-N -1 0 319.364 3.698 20 30 DHEDRM Cc1cc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc(C)c1O ZINC000915987368 1037636247 /nfs/dbraw/zinc/63/62/47/1037636247.db2.gz BUJCBCZIQKWGDL-VMPITWQZSA-N -1 0 310.349 3.532 20 30 DHEDRM Cc1c(Nc2cc(C#N)c(F)cc2[O-])cnn1-c1ccccc1 ZINC001201376917 1037641311 /nfs/dbraw/zinc/64/13/11/1037641311.db2.gz DUXXNNIMJLRAJT-UHFFFAOYSA-N -1 0 308.316 3.641 20 30 DHEDRM Cc1cc(C)c(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cc1C ZINC000916157692 1037695420 /nfs/dbraw/zinc/69/54/20/1037695420.db2.gz SAWQIFGGDSGMFP-FPLPWBNLSA-N -1 0 324.376 3.971 20 30 DHEDRM N#Cc1ccc([O-])c(NC(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC001187699788 1037702136 /nfs/dbraw/zinc/70/21/36/1037702136.db2.gz 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Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1)C2 ZINC000794706652 602110626 /nfs/dbraw/zinc/11/06/26/602110626.db2.gz HANRJVLPVCWTJA-ATTDUZETSA-N -1 0 322.360 3.669 20 30 DHEDRM O=C([O-])c1cc(/C=C2\Cc3cc(Cl)cc(Cl)c3C2=O)c[nH]1 ZINC000833297621 602149692 /nfs/dbraw/zinc/14/96/92/602149692.db2.gz HMQWDPWDJCHCAT-XLUWADSXSA-N -1 0 322.147 3.842 20 30 DHEDRM C=CCC(CC=C)C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000825665121 602191223 /nfs/dbraw/zinc/19/12/23/602191223.db2.gz VDDQXGDXULSJFS-CQSZACIVSA-N -1 0 308.761 3.777 20 30 DHEDRM CCOc1ccc(C=Nc2ccc(NC(=O)[O-])cc2)c(O)c1 ZINC000739496488 602430228 /nfs/dbraw/zinc/43/02/28/602430228.db2.gz HETLABPJGZUQKX-UHFFFAOYSA-N -1 0 300.314 3.631 20 30 DHEDRM C=C(C)CN(CC)C(=O)Nc1ccccc1CN(CC)C(=O)[O-] ZINC000738470957 603353927 /nfs/dbraw/zinc/35/39/27/603353927.db2.gz OBCQUOKPJGGUKE-UHFFFAOYSA-N -1 0 319.405 3.616 20 30 DHEDRM C[C@H](NC(=O)[O-])c1ccc(NCc2ccc(F)c(C#N)c2)cc1 ZINC000825449177 604029481 /nfs/dbraw/zinc/02/94/81/604029481.db2.gz LGBLISPWYDWDGR-NSHDSACASA-N -1 0 313.332 3.638 20 30 DHEDRM CC(C)(C#N)CCCN1CCCN(C(=O)[O-])c2ccccc21 ZINC000823738559 604092836 /nfs/dbraw/zinc/09/28/36/604092836.db2.gz YEUVFCNILPSAQD-UHFFFAOYSA-N -1 0 301.390 3.711 20 30 DHEDRM Cc1nc(C)c(CSCc2cccc(C(=O)[O-])c2C#N)s1 ZINC000833755027 604538669 /nfs/dbraw/zinc/53/86/69/604538669.db2.gz VWPGOBMGUZICLH-UHFFFAOYSA-N -1 0 318.423 3.763 20 30 DHEDRM CCc1noc(C)c1CSCc1cccc(C(=O)[O-])c1C#N ZINC000833678591 604538939 /nfs/dbraw/zinc/53/89/39/604538939.db2.gz HURDCIIPNVJTLQ-UHFFFAOYSA-N -1 0 316.382 3.549 20 30 DHEDRM C=CCOc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000825698797 604626217 /nfs/dbraw/zinc/62/62/17/604626217.db2.gz JSMDVBKOUHLKRO-LFYBBSHMSA-N -1 0 308.333 3.846 20 30 DHEDRM O=C([O-])c1ccc(C(=O)/C=C/c2cc(F)c(F)cc2F)cc1 ZINC000833310834 604631350 /nfs/dbraw/zinc/63/13/50/604631350.db2.gz WCWZHSGJQIBYEB-AATRIKPKSA-N -1 0 306.239 3.698 20 30 DHEDRM CC(=NNCc1cc(F)ccc1F)[C@@H](C)CCCCC(=O)[O-] ZINC000814809266 604637828 /nfs/dbraw/zinc/63/78/28/604637828.db2.gz UMNGKWNSQKATJR-NSHDSACASA-N -1 0 312.360 3.711 20 30 DHEDRM CC(N=Nc1nc2ccccc2n1C)[C@H](C)CCCCC(=O)[O-] ZINC000814807223 604638063 /nfs/dbraw/zinc/63/80/63/604638063.db2.gz LLKMPIGDECVAMZ-GFCCVEGCSA-N -1 0 316.405 3.642 20 30 DHEDRM CC(=NNc1cccc2ncccc21)c1ccc(C(=O)[O-])cc1 ZINC000825809273 604639938 /nfs/dbraw/zinc/63/99/38/604639938.db2.gz QWJYXYUGUYMOKB-UHFFFAOYSA-N -1 0 305.337 3.769 20 30 DHEDRM C=CCN(Cc1cccc(C#N)c1)Cc1ccc(C(=O)[O-])cc1F ZINC000833375930 604752012 /nfs/dbraw/zinc/75/20/12/604752012.db2.gz JPOXEHGQGKPLLY-UHFFFAOYSA-N -1 0 324.355 3.584 20 30 DHEDRM C=C[C@H](CC(=O)N1CCc2cc(C(=O)[O-])ccc21)c1ccccc1 ZINC000761417888 604809893 /nfs/dbraw/zinc/80/98/93/604809893.db2.gz DPMSSUXRXWKIFB-CQSZACIVSA-N -1 0 321.376 3.634 20 30 DHEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2ccc(Cl)cc2C#N)C1 ZINC000134983714 604872076 /nfs/dbraw/zinc/87/20/76/604872076.db2.gz PVQRDPIJLUFDII-GFCCVEGCSA-N -1 0 306.793 3.539 20 30 DHEDRM C=CCCCC(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000833373421 604881619 /nfs/dbraw/zinc/88/16/19/604881619.db2.gz OBZCDVYCTVXBEE-ZDUSSCGKSA-N -1 0 316.275 3.888 20 30 DHEDRM CC(=NOC1CCCC1)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC000833387210 605040689 /nfs/dbraw/zinc/04/06/89/605040689.db2.gz USNMMAMRUCESAS-UHFFFAOYSA-N -1 0 318.398 3.986 20 30 DHEDRM O=C([O-])c1ccccc1NN=Cc1cccc(-c2cccnc2)c1 ZINC000768481508 605098416 /nfs/dbraw/zinc/09/84/16/605098416.db2.gz AKDWLLXMOPEFTG-UHFFFAOYSA-N -1 0 317.348 3.893 20 30 DHEDRM CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(O)cc1F ZINC000833386716 605158737 /nfs/dbraw/zinc/15/87/37/605158737.db2.gz VDVCELQBAJACLQ-UHFFFAOYSA-N -1 0 322.723 3.719 20 30 DHEDRM Cc1cc(C(=O)Nc2cccc(C#N)c2C)ccc1NC(=O)[O-] ZINC000829965685 605716689 /nfs/dbraw/zinc/71/66/89/605716689.db2.gz DPQLULVJXZXYDR-UHFFFAOYSA-N -1 0 309.325 3.517 20 30 DHEDRM Cc1ccc(C#N)cc1NCc1cc(C(=O)[O-])ccc1Cl ZINC000833747454 605785783 /nfs/dbraw/zinc/78/57/83/605785783.db2.gz PLJYASXDHNPSCY-UHFFFAOYSA-N -1 0 300.745 3.830 20 30 DHEDRM N#Cc1ccc(-c2ccn(Cc3cccc(NC(=O)[O-])c3)n2)cc1 ZINC000833973627 605991978 /nfs/dbraw/zinc/99/19/78/605991978.db2.gz BQECSIIRPDTTDL-UHFFFAOYSA-N -1 0 318.336 3.560 20 30 DHEDRM C=C(C)c1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001602712442 971356218 /nfs/dbraw/zinc/35/62/18/971356218.db2.gz RBPRUWONZMDOJX-KRWDZBQOSA-N -1 0 324.380 3.537 20 30 DHEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001602718164 971372431 /nfs/dbraw/zinc/37/24/31/971372431.db2.gz DYMNLOCUNJERSG-CZUORRHYSA-N -1 0 301.386 3.558 20 30 DHEDRM CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C)s1 ZINC000048515242 1013079606 /nfs/dbraw/zinc/07/96/06/1013079606.db2.gz OVXMCXNEPQDLKA-LLVKDONJSA-N -1 0 303.449 3.918 20 30 DHEDRM CCCCCCCC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000193099380 949521328 /nfs/dbraw/zinc/52/13/28/949521328.db2.gz RJWDPMYRNSUCFT-SFHVURJKSA-N -1 0 305.418 3.506 20 30 DHEDRM CCCCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000048519254 1013101032 /nfs/dbraw/zinc/10/10/32/1013101032.db2.gz BVUKEGLFGBSBOQ-UHFFFAOYSA-N -1 0 310.202 3.829 20 30 DHEDRM C=CC[C@H]1N(C(=O)Cc2ccccc2C(=O)[O-])CCCC1(C)C ZINC000668321161 954568664 /nfs/dbraw/zinc/56/86/64/954568664.db2.gz NSRKOTHQQFMZKO-MRXNPFEDSA-N -1 0 315.413 3.521 20 30 DHEDRM N#Cc1cc2ccccc2cc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001594617540 956250413 /nfs/dbraw/zinc/25/04/13/956250413.db2.gz OKSLCMFYROPOKD-UHFFFAOYSA-N -1 0 316.316 3.662 20 30 DHEDRM C=CCCC1(CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)CCCC1 ZINC001588457138 958444484 /nfs/dbraw/zinc/44/44/84/958444484.db2.gz MDJXTIWRAMKCGH-VQHVLOKHSA-N -1 0 317.385 3.634 20 30 DHEDRM C=C[C@@H](CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1ccccc1 ZINC001573329218 958506884 /nfs/dbraw/zinc/50/68/84/958506884.db2.gz ARGBXVMNINQXEZ-GOEBONIOSA-N -1 0 317.429 3.742 20 30 DHEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)CCCCC(=O)[O-] ZINC001573576500 959330738 /nfs/dbraw/zinc/33/07/38/959330738.db2.gz MZQQQLMWVSKPQA-GFCCVEGCSA-N -1 0 320.414 3.664 20 30 DHEDRM CCCCCCC[C@H](C)CNC(=O)c1ccc(C(=O)[O-])cn1 ZINC001573840336 961063709 /nfs/dbraw/zinc/06/37/09/961063709.db2.gz GKRNSHGVTBYGOT-ZDUSSCGKSA-N -1 0 306.406 3.506 20 30 DHEDRM N#CC(CCSCC(=O)[O-])(c1ccccc1)c1ccccc1 ZINC001574474368 961639772 /nfs/dbraw/zinc/63/97/72/961639772.db2.gz NRDVSIXNLXVGIF-UHFFFAOYSA-N -1 0 311.406 3.704 20 30 DHEDRM C=C[C@@H](C(=O)Nc1cccc(NC(=O)[O-])c1C)c1ccccc1 ZINC001573345391 962934453 /nfs/dbraw/zinc/93/44/53/962934453.db2.gz RNXSUVAFQZFAQG-CQSZACIVSA-N -1 0 310.353 3.993 20 30 DHEDRM C=CC[C@@H]1N(C(=O)c2ccc(C)c(C(=O)[O-])c2)CCCC1(C)C ZINC001573352458 962986937 /nfs/dbraw/zinc/98/69/37/962986937.db2.gz CLBSHKAWRRLPIH-INIZCTEOSA-N -1 0 315.413 3.900 20 30 DHEDRM C=CCC1(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCCC1 ZINC001573353211 962999009 /nfs/dbraw/zinc/99/90/09/962999009.db2.gz ROZXFHLLWUHOAK-CVEARBPZSA-N -1 0 313.397 3.552 20 30 DHEDRM C=CCCN(Cc1cccc(C(=O)[O-])c1)OCc1ccccc1 ZINC001573360077 963031919 /nfs/dbraw/zinc/03/19/19/963031919.db2.gz FZRURJMJAKRWNG-UHFFFAOYSA-N -1 0 311.381 3.895 20 30 DHEDRM C=CCCCCCCCNC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001573365357 963053738 /nfs/dbraw/zinc/05/37/38/963053738.db2.gz FNFNKRISLNORHF-UHFFFAOYSA-N -1 0 303.402 3.950 20 30 DHEDRM COc1cc(C#N)cc(Br)c1O[C@@H](C)C1=CC=C[CH]1 ZINC001226175892 1013518640 /nfs/dbraw/zinc/51/86/40/1013518640.db2.gz NJUHIWJNKJPYTE-JTQLQIEISA-N -1 0 319.178 3.797 20 30 DHEDRM N#Cc1ccc(CCC(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC000519729181 1013596213 /nfs/dbraw/zinc/59/62/13/1013596213.db2.gz SVTRNMFIQPSGHU-UHFFFAOYSA-N -1 0 318.735 3.628 20 30 DHEDRM CC(=CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21)C1CC1 ZINC000120982735 1013656384 /nfs/dbraw/zinc/65/63/84/1013656384.db2.gz FBIOPWCRERKSHY-ZHUYAKLQSA-N -1 0 306.365 3.724 20 30 DHEDRM Cc1nc(C([O-])=C(C#N)c2ccc3ccccc3n2)sc1C ZINC000683689600 1013857307 /nfs/dbraw/zinc/85/73/07/1013857307.db2.gz XYFKPLAVKMVWRT-ZDUSSCGKSA-N -1 0 307.378 3.798 20 30 DHEDRM N#CC(=C([O-])c1nccs1)c1nc2cc(Cl)ccc2s1 ZINC000683689720 1013857943 /nfs/dbraw/zinc/85/79/43/1013857943.db2.gz JSAYUQQDUVUCFC-MRVPVSSYSA-N -1 0 319.798 3.896 20 30 DHEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)C2CCCCCCC2)c1 ZINC000076766333 1013854438 /nfs/dbraw/zinc/85/44/38/1013854438.db2.gz RGLGRVYBWDGGPE-UHFFFAOYSA-N -1 0 320.414 3.564 20 30 DHEDRM N#CC(=C([O-])c1coc(C2CCC2)n1)c1nccc2ccccc21 ZINC000683691327 1013861729 /nfs/dbraw/zinc/86/17/29/1013861729.db2.gz DCWIDNBIIDPPSB-HNNXBMFYSA-N -1 0 317.348 3.980 20 30 DHEDRM CCC1(NC(=O)c2ccc(Cl)c(Cl)c2[O-])CCOCC1 ZINC000331247386 1013870768 /nfs/dbraw/zinc/87/07/68/1013870768.db2.gz VUMMOKFZLWVVCB-UHFFFAOYSA-N -1 0 318.200 3.963 20 30 DHEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)C[C@H]1CCC[C@H](C)C1 ZINC000080250447 1013910865 /nfs/dbraw/zinc/91/08/65/1013910865.db2.gz UTWGZKVFTFIEDQ-JSGCOSHPSA-N -1 0 309.431 3.857 20 30 DHEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1Cl ZINC000748147618 1014028879 /nfs/dbraw/zinc/02/88/79/1014028879.db2.gz HYRHEAZJZUBQBK-VURMDHGXSA-N -1 0 303.701 3.850 20 30 DHEDRM O=C([N-]S(=O)(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000046708525 1014048400 /nfs/dbraw/zinc/04/84/00/1014048400.db2.gz ADYXKILVYRJKKE-UHFFFAOYSA-N -1 0 319.426 3.548 20 30 DHEDRM CC(C)(C)c1noc([N-]c2ccc(F)cc2[N+](=O)[O-])c1C#N ZINC001210952339 1014095901 /nfs/dbraw/zinc/09/59/01/1014095901.db2.gz DXXICWMJMNAQMP-UHFFFAOYSA-N -1 0 304.281 3.635 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2coc(C3CC3)n2)n1 ZINC000683901807 1014100555 /nfs/dbraw/zinc/10/05/55/1014100555.db2.gz DVPUQFUHYVBYIR-JTQLQIEISA-N -1 0 301.371 3.622 20 30 DHEDRM N#Cc1cc(C(F)(F)F)ccc1NC1CCC(C(=O)[O-])CC1 ZINC000261728108 1014158276 /nfs/dbraw/zinc/15/82/76/1014158276.db2.gz QYFIFXFKWQSUDV-UHFFFAOYSA-N -1 0 312.291 3.632 20 30 DHEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000659166749 975765681 /nfs/dbraw/zinc/76/56/81/975765681.db2.gz SALKZORACVPZSX-NVXWUHKLSA-N -1 0 315.413 3.569 20 30 DHEDRM CC(C)Oc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC001591759311 975842020 /nfs/dbraw/zinc/84/20/20/975842020.db2.gz 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/nfs/dbraw/zinc/85/44/13/978854413.db2.gz UIBHYDMTNOYYBZ-HJPCULJESA-N -1 0 308.333 3.533 20 30 DHEDRM C[C@@H]1C(N=Nc2nc3ccccc3s2)CC[C@@H]1CC(=O)[O-] ZINC000814685763 978871776 /nfs/dbraw/zinc/87/17/76/978871776.db2.gz WCGBZHDFYGULHK-VHSXEESVSA-N -1 0 303.387 3.585 20 30 DHEDRM O=C([O-])c1cccc(C=NNCc2ccc(C(F)(F)F)cc2)c1 ZINC000814807852 978886525 /nfs/dbraw/zinc/88/65/25/978886525.db2.gz NQLHKZAAPUKSGY-UHFFFAOYSA-N -1 0 322.286 3.527 20 30 DHEDRM COc1ccc(NN=C(C)c2cc(C(=O)[O-])cs2)cc1Cl ZINC000814902498 978897416 /nfs/dbraw/zinc/89/74/16/978897416.db2.gz NYTDKKVDZZWQIF-UHFFFAOYSA-N -1 0 324.789 3.944 20 30 DHEDRM CCC(CC)CN(CCC#N)Cc1ccc(C(=O)[O-])cc1F ZINC001595111823 979460804 /nfs/dbraw/zinc/46/08/04/979460804.db2.gz YEYDCWQWPPIQRJ-UHFFFAOYSA-N -1 0 306.381 3.676 20 30 DHEDRM CC(C)CC(=NNc1ccc(CC(=O)[O-])cc1)c1ccccn1 ZINC000848414649 979467121 /nfs/dbraw/zinc/46/71/21/979467121.db2.gz AWNMKLUQPDRERM-UHFFFAOYSA-N -1 0 311.385 3.571 20 30 DHEDRM C[C@H](CSc1c(C#N)cnc2c(Cl)cccc21)C(=O)[O-] 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313.806 3.812 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N(C)C1c2ccccc2-c2ccccc21 ZINC001588606847 983698961 /nfs/dbraw/zinc/69/89/61/983698961.db2.gz KJZFQCKUXNJZKZ-UHFFFAOYSA-N -1 0 321.376 3.636 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](C)C[C@H]1c1ccc(CC)o1 ZINC001588614238 983706855 /nfs/dbraw/zinc/70/68/55/983706855.db2.gz PCYCFPHZKXDWOQ-DOMZBBRYSA-N -1 0 319.401 3.563 20 30 DHEDRM C=C(CNc1ncc(C(=O)[O-])cc1C(F)(F)F)c1ccccc1 ZINC001588637931 983761583 /nfs/dbraw/zinc/76/15/83/983761583.db2.gz YXHLTVCWEBAOMY-UHFFFAOYSA-N -1 0 322.286 3.924 20 30 DHEDRM C=C1CCC(CNC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CC1 ZINC001588649937 983771304 /nfs/dbraw/zinc/77/13/04/983771304.db2.gz MQGJSTISPHSLRH-UHFFFAOYSA-N -1 0 322.792 3.906 20 30 DHEDRM C=C1CCC(CNC(=O)Nc2c(C)sc(C)c2C(=O)[O-])CC1 ZINC001588650028 983771598 /nfs/dbraw/zinc/77/15/98/983771598.db2.gz SYQCMLIBZYJUIF-UHFFFAOYSA-N -1 0 322.430 3.931 20 30 DHEDRM C=C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1)c1ccccc1 ZINC001588663760 983796555 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C=CCC(C)(C)C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001588736717 984026905 /nfs/dbraw/zinc/02/69/05/984026905.db2.gz SFSQAILAJVXWHP-HNNXBMFYSA-N -1 0 302.370 3.908 20 30 DHEDRM C=CCC(CC=C)C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001588737335 984029378 /nfs/dbraw/zinc/02/93/78/984029378.db2.gz JIBQMCPWCJQHNB-UHFFFAOYSA-N -1 0 302.370 3.723 20 30 DHEDRM C=CCC(F)(F)C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC001588743270 984037110 /nfs/dbraw/zinc/03/71/10/984037110.db2.gz VWVJSSIUFHWVSM-CYBMUJFWSA-N -1 0 317.376 3.518 20 30 DHEDRM C=CC[C@@H](Sc1nnc(CCC2CCCCC2)o1)C(=O)[O-] ZINC001588763292 984119308 /nfs/dbraw/zinc/11/93/08/984119308.db2.gz SIFFCCICSJXMTH-GFCCVEGCSA-N -1 0 310.419 3.704 20 30 DHEDRM C=CCC1(C(=O)Nc2cccc(CCC(=O)[O-])c2)CCCC1 ZINC001588765352 984126880 /nfs/dbraw/zinc/12/68/80/984126880.db2.gz YRJUWODHPXSMIN-UHFFFAOYSA-N -1 0 301.386 3.779 20 30 DHEDRM C=CCCC(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001588774448 984151891 /nfs/dbraw/zinc/15/18/91/984151891.db2.gz 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Cc1ccccc1CC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000077881660 1015215240 /nfs/dbraw/zinc/21/52/40/1015215240.db2.gz ZCOMXSHDSWGQCI-AWEZNQCLSA-N -1 0 317.410 3.585 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(C=Nc2cccc(OC(F)F)c2)c1 ZINC000255364425 1015230102 /nfs/dbraw/zinc/23/01/02/1015230102.db2.gz VPVSHCVGODEFFZ-UHFFFAOYSA-N -1 0 308.240 3.652 20 30 DHEDRM CCOc1cccc([C@@H](C)NCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001597150238 986926563 /nfs/dbraw/zinc/92/65/63/986926563.db2.gz PBYNYXQOXBJSAW-CYBMUJFWSA-N -1 0 324.380 3.506 20 30 DHEDRM C[C@H]1c2ccc(F)cc2CCN1Cc1cccc(C(=O)[O-])c1C#N ZINC001594667312 986970935 /nfs/dbraw/zinc/97/09/35/986970935.db2.gz IDQPIICKKCYURV-LBPRGKRZSA-N -1 0 324.355 3.515 20 30 DHEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)s1 ZINC000121465411 1015342201 /nfs/dbraw/zinc/34/22/01/1015342201.db2.gz RPJVRCRQJBYHMH-GFCCVEGCSA-N -1 0 320.458 3.674 20 30 DHEDRM CC(C)(C)OC(=O)n1cc(-c2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001590368914 989850423 /nfs/dbraw/zinc/85/04/23/989850423.db2.gz 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ZINC001599217974 997616307 /nfs/dbraw/zinc/61/63/07/997616307.db2.gz CURIZJHCOZIDPM-UHFFFAOYSA-N -1 0 322.380 3.909 20 30 DHEDRM CN(C)c1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1F ZINC000728439039 1016150521 /nfs/dbraw/zinc/15/05/21/1016150521.db2.gz VDBZMPKXRHLUHL-DAXSKMNVSA-N -1 0 303.308 3.633 20 30 DHEDRM COc1c(C)cc(C(=O)/C=C/c2ccoc2C(=O)[O-])cc1Cl ZINC001599331571 997756842 /nfs/dbraw/zinc/75/68/42/997756842.db2.gz NNDCLLWKUQAQRO-ONEGZZNKSA-N -1 0 320.728 3.844 20 30 DHEDRM COc1ccc(CCC(C)=NOCc2ccc(C(=O)[O-])o2)cc1 ZINC001599553098 998043170 /nfs/dbraw/zinc/04/31/70/998043170.db2.gz TZLIJSFOUNSHDQ-UHFFFAOYSA-N -1 0 317.341 3.512 20 30 DHEDRM C[C@H]1C[C@@H](CCNc2ccc(C(=O)[O-])nc2C#N)CC(C)(C)C1 ZINC001594235876 998898288 /nfs/dbraw/zinc/89/82/88/998898288.db2.gz LIVXIIVSKANIIL-QWHCGFSZSA-N -1 0 315.417 3.916 20 30 DHEDRM CCOc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)cc1F ZINC000782323851 1016302882 /nfs/dbraw/zinc/30/28/82/1016302882.db2.gz SVWTXQCYIHFQAT-HWKANZROSA-N -1 0 320.341 3.880 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])C=Cc2ccc(Cl)cc2)n1 ZINC000255506950 1016697431 /nfs/dbraw/zinc/69/74/31/1016697431.db2.gz GOWRIKIUEOLFDC-IRBQFCFKSA-N -1 0 302.786 3.995 20 30 DHEDRM CC(C)Oc1ccc(N=Cc2ccc(O)c(O)c2O)c(Cl)c1 ZINC000588534400 1017032764 /nfs/dbraw/zinc/03/27/64/1017032764.db2.gz OSATYTIVQJQMSN-UHFFFAOYSA-N -1 0 321.760 3.995 20 30 DHEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCC[C@H](C)C2)cc1 ZINC000080250348 1032307576 /nfs/dbraw/zinc/30/75/76/1032307576.db2.gz YNJMIBAGWBSABX-UONOGXRCSA-N -1 0 309.431 3.857 20 30 DHEDRM N#Cc1cccc(NC(=O)c2cccc(-c3ccccc3)c2[O-])n1 ZINC001148861813 1032449682 /nfs/dbraw/zinc/44/96/82/1032449682.db2.gz ZBPPFEOBWOHXHW-UHFFFAOYSA-N -1 0 315.332 3.578 20 30 DHEDRM CC(N=Nc1ncc(Cl)cc1Cl)c1ccc(C(=O)[O-])o1 ZINC000773026952 1032532791 /nfs/dbraw/zinc/53/27/91/1032532791.db2.gz FFSUGWWCZPTGIW-UHFFFAOYSA-N -1 0 314.128 3.516 20 30 DHEDRM O=C(C=Cc1nccn1Cc1ccccc1)c1sccc1[O-] ZINC000773143178 1032577513 /nfs/dbraw/zinc/57/75/13/1032577513.db2.gz 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Cc1occc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000114620581 1018106760 /nfs/dbraw/zinc/10/67/60/1018106760.db2.gz UOYFKDMHYUGOKS-ZDUSSCGKSA-N -1 0 309.350 3.597 20 30 DHEDRM CC(N=Nc1nccc2sccc21)c1cccc(C(=O)[O-])c1 ZINC000764684666 1018350431 /nfs/dbraw/zinc/35/04/31/1018350431.db2.gz ZKBLAHZAVIPDFM-UHFFFAOYSA-N -1 0 311.366 3.831 20 30 DHEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C2(C)CCCC2)cc1Cl ZINC000080298666 1018437232 /nfs/dbraw/zinc/43/72/32/1018437232.db2.gz XKPXAFBQPPODLG-UHFFFAOYSA-N -1 0 315.822 3.874 20 30 DHEDRM CC(C)CCN(CCC#N)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000157663228 1018666003 /nfs/dbraw/zinc/66/60/03/1018666003.db2.gz GICILQYVAGWWJY-UHFFFAOYSA-N -1 0 312.772 3.587 20 30 DHEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(Cl)c(F)c1 ZINC000765613986 1019004250 /nfs/dbraw/zinc/00/42/50/1019004250.db2.gz YUDSDUKQHVVSSA-KXFIGUGUSA-N -1 0 321.691 3.989 20 30 DHEDRM C=CCN(CC(F)(F)F)C(=O)c1cc(O)c2ccccc2c1 ZINC000471953022 1019313673 /nfs/dbraw/zinc/31/36/73/1019313673.db2.gz 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1020249163 /nfs/dbraw/zinc/24/91/63/1020249163.db2.gz NIRPMWJAVPVEDY-ZDUSSCGKSA-N -1 0 300.358 3.958 20 30 DHEDRM CC(=O)c1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cs1 ZINC000647379973 1020261559 /nfs/dbraw/zinc/26/15/59/1020261559.db2.gz ACKIGYGCNCQYEQ-NSHDSACASA-N -1 0 316.407 3.775 20 30 DHEDRM Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)nn1C(C)C ZINC000647380044 1020261695 /nfs/dbraw/zinc/26/16/95/1020261695.db2.gz FLONFZSFTBPXIX-LBPRGKRZSA-N -1 0 314.414 3.596 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccccc2OC(F)F)c1 ZINC000255736817 1020343686 /nfs/dbraw/zinc/34/36/86/1020343686.db2.gz RITVNRVUUNQBDJ-NVMNQCDNSA-N -1 0 322.267 3.521 20 30 DHEDRM Cc1ccc(N(CCC#N)C(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000186715888 1020411795 /nfs/dbraw/zinc/41/17/95/1020411795.db2.gz FJCVBLBSTGWDOY-UHFFFAOYSA-N -1 0 316.307 3.539 20 30 DHEDRM N#Cc1cc(F)c(Nc2ccc(C(=O)[O-])c(F)c2F)cc1F ZINC001212513380 1020585537 /nfs/dbraw/zinc/58/55/37/1020585537.db2.gz OAEJZLPFKJCPGC-UHFFFAOYSA-N -1 0 310.206 3.556 20 30 DHEDRM Cc1cc(C)c(Nc2ccc(C(=O)[O-])c(F)c2F)cc1C#N ZINC001212516745 1020593446 /nfs/dbraw/zinc/59/34/46/1020593446.db2.gz QCAYFLWJPAHPDG-UHFFFAOYSA-N -1 0 302.280 3.895 20 30 DHEDRM CCc1ccsc1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000066002882 1020643508 /nfs/dbraw/zinc/64/35/08/1020643508.db2.gz WEEPAWZWQVGAFT-PKNBQFBNSA-N -1 0 321.423 3.616 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\[C@H](Cc2ccccc2)C2CC2)c1 ZINC000736430747 1020817269 /nfs/dbraw/zinc/81/72/69/1020817269.db2.gz GMMQJIIPEOATLC-UEXNTNOUSA-N -1 0 310.353 3.741 20 30 DHEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc2occc2s1 ZINC000737317142 1020844584 /nfs/dbraw/zinc/84/45/84/1020844584.db2.gz TUDJOMDTVHCWGD-LLVKDONJSA-N -1 0 318.398 3.513 20 30 DHEDRM Cc1cc(C(C)N=Nc2ccccc2C(=O)[O-])cc(C)c1F ZINC000741461749 1021007930 /nfs/dbraw/zinc/00/79/30/1021007930.db2.gz APVUKKVPJGDIRB-UHFFFAOYSA-N -1 0 300.333 3.977 20 30 DHEDRM COCc1csc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000659115222 1021178645 /nfs/dbraw/zinc/17/86/45/1021178645.db2.gz RTIDLAZCVIZVSY-NSHDSACASA-N -1 0 320.439 3.964 20 30 DHEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1nc2ccccc2s1 ZINC000917563368 1021297884 /nfs/dbraw/zinc/29/78/84/1021297884.db2.gz HWBTXEPUPLGTLH-UHFFFAOYSA-N -1 0 311.366 3.831 20 30 DHEDRM C[C@@H]1C[C@@H]1c1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000917556940 1021301205 /nfs/dbraw/zinc/30/12/05/1021301205.db2.gz RTCMFQGRVMELFO-QBXHWNAFSA-N -1 0 300.314 3.636 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H](C)c1ccco1 ZINC000744016516 1021407712 /nfs/dbraw/zinc/40/77/12/1021407712.db2.gz NVKVXDDOPGRYQI-SMDDNHRTSA-N -1 0 320.348 3.765 20 30 DHEDRM C[C@H]1c2c(c(O)ccc2F)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000007333197 1021456382 /nfs/dbraw/zinc/45/63/82/1021456382.db2.gz HYJBPIKKMONSEN-YXYQAXARSA-N -1 0 313.284 3.823 20 30 DHEDRM N#Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1[O-] ZINC000189941259 1021462418 /nfs/dbraw/zinc/46/24/18/1021462418.db2.gz FQEKRIIGKDFSBY-UHFFFAOYSA-N -1 0 306.243 3.535 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000850739827 1021634977 /nfs/dbraw/zinc/63/49/77/1021634977.db2.gz OOGLMDLBEYDOBZ-SJXGUFTOSA-N -1 0 320.392 3.804 20 30 DHEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2ccc(F)cc2)c1)C(=O)[O-] ZINC000745021486 1021641339 /nfs/dbraw/zinc/64/13/39/1021641339.db2.gz PQEVNPCMJUFGAZ-MQGYJPLLSA-N -1 0 314.312 3.574 20 30 DHEDRM Cc1ccc(/C=C\C(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)cc1 ZINC000745021872 1021641704 /nfs/dbraw/zinc/64/17/04/1021641704.db2.gz SXAKVADYMDMXQI-BMSUMIBZSA-N -1 0 310.349 3.743 20 30 DHEDRM N#CC(=C([O-])c1csc(C2CC2)n1)c1nc2ccccc2o1 ZINC000194990699 1021828210 /nfs/dbraw/zinc/82/82/10/1021828210.db2.gz IXFZTBDSIRHDGY-SNVBAGLBSA-N -1 0 309.350 3.652 20 30 DHEDRM Cc1cc(C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)c(C)[nH]1 ZINC000920105639 1022044349 /nfs/dbraw/zinc/04/43/49/1022044349.db2.gz IPYMCHNONOPPTG-OAHLLOKOSA-N -1 0 319.364 3.627 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CC1CCCC1 ZINC000920105832 1022044899 /nfs/dbraw/zinc/04/48/99/1022044899.db2.gz GDNKOJIYQXZHSV-HNNXBMFYSA-N -1 0 308.381 3.948 20 30 DHEDRM CSc1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000920177892 1022077964 /nfs/dbraw/zinc/07/79/64/1022077964.db2.gz MEIXVVLPJUPDPB-MHWRWJLKSA-N -1 0 302.355 3.641 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2CCc3cc(F)ccc32)c1 ZINC000920177916 1022078390 /nfs/dbraw/zinc/07/83/90/1022078390.db2.gz MHWPVQCLSGVWDJ-FNMPFJKNSA-N -1 0 300.289 3.546 20 30 DHEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(CCC)cc1 ZINC000920324524 1022104144 /nfs/dbraw/zinc/10/41/44/1022104144.db2.gz MPBZLVFALZNHNF-QGZVFWFLSA-N -1 0 314.429 3.658 20 30 DHEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000620302346 1022125842 /nfs/dbraw/zinc/12/58/42/1022125842.db2.gz ZINCIWUAYRQQMJ-PHIMTYICSA-N -1 0 311.303 3.734 20 30 DHEDRM Cc1nc(C)c(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)o1 ZINC000183502494 1022161554 /nfs/dbraw/zinc/16/15/54/1022161554.db2.gz PLSGWUBRFTXOKJ-ZDUSSCGKSA-N -1 0 323.377 3.905 20 30 DHEDRM Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)o1 ZINC000041559697 1022173251 /nfs/dbraw/zinc/17/32/51/1022173251.db2.gz SOIYBOSBJJCRKO-SNVBAGLBSA-N -1 0 315.279 3.823 20 30 DHEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\CCc2cccs2)c1[O-] ZINC000920944731 1022193807 /nfs/dbraw/zinc/19/38/07/1022193807.db2.gz IPFWPJUSCIFCQS-NVNXTCNLSA-N -1 0 310.762 3.677 20 30 DHEDRM COc1ccc2cc(NC(=O)c3ccc(C#N)c([O-])c3)ccc2c1 ZINC000804308146 1022250679 /nfs/dbraw/zinc/25/06/79/1022250679.db2.gz PCXVKPVRMWVQFC-UHFFFAOYSA-N -1 0 318.332 3.678 20 30 DHEDRM Cc1cccc2c1[C@@H](C)/C(=C/c1cc([O-])ccc1[N+](=O)[O-])C2=O ZINC000766695695 1022402498 /nfs/dbraw/zinc/40/24/98/1022402498.db2.gz LTFVWTPEBMBTAR-GPILYODUSA-N -1 0 309.321 3.992 20 30 DHEDRM O=C(/C=C/c1cnn(-c2ccccc2)c1)c1ccc([O-])c(F)c1 ZINC000170851850 1022430766 /nfs/dbraw/zinc/43/07/66/1022430766.db2.gz BLYOLTNXDVUOEJ-SOFGYWHQSA-N -1 0 308.312 3.613 20 30 DHEDRM CC(C)(C)OCc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000615480038 1022486484 /nfs/dbraw/zinc/48/64/84/1022486484.db2.gz PTAKKBCBVOYPGM-UHFFFAOYSA-N -1 0 324.380 3.831 20 30 DHEDRM Cc1cc(CNc2cccc(C(=O)[O-])c2OC(C)C)ccc1C#N ZINC000417561679 1022778130 /nfs/dbraw/zinc/77/81/30/1022778130.db2.gz BGNJYCBXKVMXPU-UHFFFAOYSA-N -1 0 324.380 3.964 20 30 DHEDRM CC(C)(C)c1ccc(CC(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000768186226 1022920583 /nfs/dbraw/zinc/92/05/83/1022920583.db2.gz VWBSBAXMXNZCSW-UHFFFAOYSA-N -1 0 308.381 3.743 20 30 DHEDRM CCCc1ccc(C=C2CCc3c(C#N)c(=O)[n-]cc3C2=O)s1 ZINC000857202531 1022967415 /nfs/dbraw/zinc/96/74/15/1022967415.db2.gz PMTCAOUAVCLVHR-FLIBITNWSA-N -1 0 324.405 3.885 20 30 DHEDRM COc1ccc(OC)c(/C=C/C(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000768759233 1023022360 /nfs/dbraw/zinc/02/23/60/1023022360.db2.gz YBIUVLCODZVLGG-GQCTYLIASA-N -1 0 318.756 3.959 20 30 DHEDRM N#CC(=C([O-])C1=CCCCC1)c1nc(-c2ccncc2)cs1 ZINC000123564186 1023046601 /nfs/dbraw/zinc/04/66/01/1023046601.db2.gz UFWGCEXYOOGEOW-CQSZACIVSA-N -1 0 309.394 3.882 20 30 DHEDRM Cc1cc(C(C#N)=C([O-])c2cc3sccc3s2)nc(C)n1 ZINC000617896816 1023087425 /nfs/dbraw/zinc/08/74/25/1023087425.db2.gz KJRIOWOVVWGRRE-SNVBAGLBSA-N -1 0 313.407 3.860 20 30 DHEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)C(C)(C)c1ccccc1 ZINC000069524357 1023100741 /nfs/dbraw/zinc/10/07/41/1023100741.db2.gz WQCGWEITYWTJNA-UHFFFAOYSA-N -1 0 317.410 3.618 20 30 DHEDRM Cc1cccc(F)c1NN=Cc1ccc(C(=O)[O-])cc1Cl ZINC000769840933 1023226383 /nfs/dbraw/zinc/22/63/83/1023226383.db2.gz PKCAFPFZQCEIKJ-UHFFFAOYSA-N -1 0 306.724 3.932 20 30 DHEDRM O=C(/C=C/c1sccc1Cl)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000195339442 1023227600 /nfs/dbraw/zinc/22/76/00/1023227600.db2.gz PUPIHGNMXOYVAM-ONEGZZNKSA-N -1 0 309.730 3.911 20 30 DHEDRM N#Cc1cc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])ccc1F ZINC000770572036 1023324658 /nfs/dbraw/zinc/32/46/58/1023324658.db2.gz LCTROVDCVIUADB-DUXPYHPUSA-N -1 0 303.239 3.577 20 30 DHEDRM CCC(=NNC[C@H](C)C#N)c1cc(Cl)cc(Cl)c1[O-] ZINC000771105396 1023397868 /nfs/dbraw/zinc/39/78/68/1023397868.db2.gz ZEEGRPVVNPAGJG-MRVPVSSYSA-N -1 0 300.189 3.562 20 30 DHEDRM Cn1cc(/C=C\C(=O)c2ccccc2[O-])c(-c2ccccc2)n1 ZINC000771523635 1023448617 /nfs/dbraw/zinc/44/86/17/1023448617.db2.gz CWQUKHHLOYHVNL-QXMHVHEDSA-N -1 0 304.349 3.689 20 30 DHEDRM Cn1cc(/C=C/C(=O)c2ccccc2[O-])c(-c2ccccc2)n1 ZINC000771523636 1023448862 /nfs/dbraw/zinc/44/88/62/1023448862.db2.gz CWQUKHHLOYHVNL-VAWYXSNFSA-N -1 0 304.349 3.689 20 30 DHEDRM N#Cc1cc(Cl)ccc1COC(=O)c1c(F)cc([O-])cc1F ZINC000772135335 1023518645 /nfs/dbraw/zinc/51/86/45/1023518645.db2.gz CEUYOTROHBGSOC-UHFFFAOYSA-N -1 0 323.682 3.552 20 30 DHEDRM C=C[C@](C)(CC)C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000785597608 1023593496 /nfs/dbraw/zinc/59/34/96/1023593496.db2.gz NWNYFLFCJFLNJF-CQSZACIVSA-N -1 0 301.308 3.856 20 30 DHEDRM C=CC(C)(C)CCNC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001167787536 1023915872 /nfs/dbraw/zinc/91/58/72/1023915872.db2.gz MXYKYSBAKYDEGS-UHFFFAOYSA-N -1 0 301.308 3.743 20 30 DHEDRM COc1ccc2nc(/C=C\C(=O)c3ccccc3[O-])sc2c1 ZINC000788731173 1023927567 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CC(C)(C)c1cnc(C(C#N)=C([O-])c2cncc(Cl)c2)s1 ZINC000453781949 1024588945 /nfs/dbraw/zinc/58/89/45/1024588945.db2.gz TVDCPDFMJDNBLX-LLVKDONJSA-N -1 0 319.817 3.979 20 30 DHEDRM N#CC(=C([O-])C=Cc1ccccc1F)c1cnc2ccccc2n1 ZINC000792110763 1024626422 /nfs/dbraw/zinc/62/64/22/1024626422.db2.gz UHDSMUOHNCIDIR-ATWMFIQVSA-N -1 0 317.323 3.659 20 30 DHEDRM O=C(OCC#Cc1ccccc1Cl)c1c(F)cc([O-])cc1F ZINC000747065042 1024664243 /nfs/dbraw/zinc/66/42/43/1024664243.db2.gz NGRZMLKXYFSVHV-UHFFFAOYSA-N -1 0 322.694 3.532 20 30 DHEDRM COc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000783697978 1024667027 /nfs/dbraw/zinc/66/70/27/1024667027.db2.gz WJWOCWMJKARWKV-TWGQIWQCSA-N -1 0 316.740 3.943 20 30 DHEDRM COc1cc(/C=C/C(=O)c2ccccc2C)cc([N+](=O)[O-])c1[O-] ZINC000038709195 1024733612 /nfs/dbraw/zinc/73/36/12/1024733612.db2.gz ALDIUTJCFNMTIQ-BQYQJAHWSA-N -1 0 313.309 3.514 20 30 DHEDRM CC[C@@H](NN=C(C)CC(C)(C)c1c[nH]c2ccccc21)C(=O)[O-] ZINC000793081485 1024881636 /nfs/dbraw/zinc/88/16/36/1024881636.db2.gz 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N#Cc1ccc2c(c1)C(=O)/C(=C/c1cccc(C(=O)[O-])c1Cl)C2 ZINC000811694141 1027068846 /nfs/dbraw/zinc/06/88/46/1027068846.db2.gz OLHRPDXWWVREBU-MDWZMJQESA-N -1 0 323.735 3.732 20 30 DHEDRM O=C([O-])c1csc(/C=C2\Oc3cccc(Cl)c3C2=O)c1 ZINC000811697133 1027069909 /nfs/dbraw/zinc/06/99/09/1027069909.db2.gz ADRAAJILXNGWAE-WZUFQYTHSA-N -1 0 306.726 3.716 20 30 DHEDRM O=C([O-])c1cc(/C=C\C(=O)c2nccc3ccccc32)ccc1O ZINC000811699814 1027071574 /nfs/dbraw/zinc/07/15/74/1027071574.db2.gz XFEASLJOMTZGBF-VURMDHGXSA-N -1 0 319.316 3.535 20 30 DHEDRM CC(C)c1nc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)cs1 ZINC000812243713 1027222644 /nfs/dbraw/zinc/22/26/44/1027222644.db2.gz SHUSCBCKOLDVAO-ARJAWSKDSA-N -1 0 307.396 3.922 20 30 DHEDRM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000574243354 1027378077 /nfs/dbraw/zinc/37/80/77/1027378077.db2.gz PNPIEMWGCCEKGA-UHFFFAOYSA-N -1 0 318.373 3.622 20 30 DHEDRM CC(CCCCCCC(=O)[O-])N=Nc1ccccc1[N+](=O)[O-] ZINC000814685578 1028153038 /nfs/dbraw/zinc/15/30/38/1028153038.db2.gz KCNUVYVBAZJNEG-UHFFFAOYSA-N -1 0 307.350 3.808 20 30 DHEDRM CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1C#N ZINC000814689078 1028167831 /nfs/dbraw/zinc/16/78/31/1028167831.db2.gz TWUWSDQVSPGPBN-UHFFFAOYSA-N -1 0 313.744 3.746 20 30 DHEDRM C[C@@H]1CC(N=Nc2ncc(Cl)cc2Cl)CC[C@H]1C(=O)[O-] ZINC000814740470 1028190000 /nfs/dbraw/zinc/19/00/00/1028190000.db2.gz OKRZAUJDJHECDK-GMSGAONNSA-N -1 0 316.188 3.677 20 30 DHEDRM C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ncc(Cl)cc1Cl ZINC000814740518 1028191136 /nfs/dbraw/zinc/19/11/36/1028191136.db2.gz OWLLRRKRHAUQPW-YUMQZZPRSA-N -1 0 316.188 3.677 20 30 DHEDRM CCc1nc2ccccc2n1N=Cc1cc(Cl)c(F)cc1[O-] ZINC000814787694 1028217912 /nfs/dbraw/zinc/21/79/12/1028217912.db2.gz UBCXFYXQKMQVNF-UHFFFAOYSA-N -1 0 317.751 3.979 20 30 DHEDRM CC(=NNCc1ccccc1Cl)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814812786 1028221133 /nfs/dbraw/zinc/22/11/33/1028221133.db2.gz MXLLKPWCAQXCKB-KGLIPLIRSA-N -1 0 322.836 3.943 20 30 DHEDRM CC(=NNc1cccc(F)c1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814815253 1028223894 /nfs/dbraw/zinc/22/38/94/1028223894.db2.gz RJPOABMVRYCZJP-LBPRGKRZSA-N -1 0 316.332 3.514 20 30 DHEDRM Cc1cc(C)c(C(=O)[O-])cc1C=NNc1cccc2ncccc21 ZINC000814804510 1028228735 /nfs/dbraw/zinc/22/87/35/1028228735.db2.gz SDBNIWSMCIQCFP-UHFFFAOYSA-N -1 0 319.364 3.996 20 30 DHEDRM CC(=NNC1CCCC1)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814832378 1028236955 /nfs/dbraw/zinc/23/69/55/1028236955.db2.gz DAFADUKRZGIMIG-UHFFFAOYSA-N -1 0 314.385 3.625 20 30 DHEDRM O=C([O-])c1cccc(C=NNCc2ccc(Cl)cc2)c1Cl ZINC000814875311 1028258029 /nfs/dbraw/zinc/25/80/29/1028258029.db2.gz BTQLZXKGVPIWSC-UHFFFAOYSA-N -1 0 323.179 3.815 20 30 DHEDRM O=C([O-])C1CCC(=NOc2ccccc2C(F)(F)F)CC1 ZINC000814888302 1028263149 /nfs/dbraw/zinc/26/31/49/1028263149.db2.gz VJJKVGZJZFLKKR-UHFFFAOYSA-N -1 0 301.264 3.715 20 30 DHEDRM C[C@@H]1C(=NOCc2ccc(F)cc2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814903305 1028270384 /nfs/dbraw/zinc/27/03/84/1028270384.db2.gz BYEFKXLSMLFMCY-RISCZKNCSA-N -1 0 307.365 3.855 20 30 DHEDRM CC(C)[C@H](Cc1ccccc1)NN=C1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000814906570 1028273997 /nfs/dbraw/zinc/27/39/97/1028273997.db2.gz AIRMJFSAALRVDW-JLSDUUJJSA-N -1 0 316.445 3.720 20 30 DHEDRM CC(C)c1c(Cl)ncnc1N=NC1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC000814922245 1028280988 /nfs/dbraw/zinc/28/09/88/1028280988.db2.gz AOFDXESBPQHXDW-NXEZZACHSA-N -1 0 324.812 3.542 20 30 DHEDRM COc1ccccc1CON=C1CC[C@H](C(=O)[O-])C(C)(C)[C@@H]1C ZINC000814923591 1028282787 /nfs/dbraw/zinc/28/27/87/1028282787.db2.gz KRMWRDCVXQPXFA-TZMCWYRMSA-N -1 0 319.401 3.725 20 30 DHEDRM CC(CCCCCCC(=O)[O-])N=Nc1nccnc1C1CCC1 ZINC000814932103 1028290779 /nfs/dbraw/zinc/29/07/79/1028290779.db2.gz PKYPLGPWQMERSU-UHFFFAOYSA-N -1 0 318.421 3.957 20 30 DHEDRM CC(N=Nc1ccc(F)c(F)c1F)c1ccc(CC(=O)[O-])cc1 ZINC000814944227 1028299461 /nfs/dbraw/zinc/29/94/61/1028299461.db2.gz WXBPJENGGQLGPW-UHFFFAOYSA-N -1 0 322.286 3.567 20 30 DHEDRM Cc1nc(CC(C)C)oc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000190776618 1028472854 /nfs/dbraw/zinc/47/28/54/1028472854.db2.gz WPCAJXYBWLEYAO-GFCCVEGCSA-N -1 0 322.368 3.548 20 30 DHEDRM N#Cc1ccc([O-])c(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000748003399 1028537917 /nfs/dbraw/zinc/53/79/17/1028537917.db2.gz RMAWRZALHUHJDW-QWRGUYRKSA-N -1 0 312.291 3.571 20 30 DHEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)c2cccc(F)c2)cc1 ZINC000076756098 1028709459 /nfs/dbraw/zinc/70/94/59/1028709459.db2.gz SFFKJZKUYVPBRX-LBPRGKRZSA-N -1 0 321.373 3.583 20 30 DHEDRM CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000076766408 1028713608 /nfs/dbraw/zinc/71/36/08/1028713608.db2.gz HKBFQCAPPMBXMD-CYBMUJFWSA-N -1 0 322.430 3.810 20 30 DHEDRM Cc1c2cc(F)ccc2oc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000041573855 1028754532 /nfs/dbraw/zinc/75/45/32/1028754532.db2.gz FTPKXLWDNSLYJY-CQSZACIVSA-N -1 0 323.327 3.777 20 30 DHEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000042248899 1028941659 /nfs/dbraw/zinc/94/16/59/1028941659.db2.gz ONJGOVKONGZLDU-LBPRGKRZSA-N -1 0 321.373 3.665 20 30 DHEDRM C=CCC(F)(F)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000816681865 1028987709 /nfs/dbraw/zinc/98/77/09/1028987709.db2.gz JBAHAMARJNAHCY-UHFFFAOYSA-N -1 0 310.127 3.527 20 30 DHEDRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC000077957801 1029187422 /nfs/dbraw/zinc/18/74/22/1029187422.db2.gz RVUGKJTXBDOCLR-LSDHHAIUSA-N -1 0 309.431 3.573 20 30 DHEDRM C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1cc(Cl)nc(Cl)c1 ZINC000819828994 1029618798 /nfs/dbraw/zinc/61/87/98/1029618798.db2.gz XUUYEVMDUBTILO-JGVFFNPUSA-N -1 0 316.188 3.677 20 30 DHEDRM C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1cc(Cl)nc(Cl)c1 ZINC000819828996 1029619347 /nfs/dbraw/zinc/61/93/47/1029619347.db2.gz XUUYEVMDUBTILO-YUMQZZPRSA-N -1 0 316.188 3.677 20 30 DHEDRM CCc1ccc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)s1 ZINC000205687857 1030037340 /nfs/dbraw/zinc/03/73/40/1030037340.db2.gz UPRNGVUEZMVQBX-DAXSKMNVSA-N -1 0 303.339 3.820 20 30 DHEDRM Cc1cc(Cl)cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1 ZINC000357645402 1030138301 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C=CCC[C@H](NC(=O)c1oc2c(c1C)c(C)ccc2C)C(=O)[O-] ZINC000262927466 1031154807 /nfs/dbraw/zinc/15/48/07/1031154807.db2.gz OQFNQYBITDOHKF-ZDUSSCGKSA-N -1 0 315.369 3.507 20 30 DHEDRM COc1cc(C)c(/C=C\C(=O)c2ccc(F)cc2[O-])cc1OC ZINC000757475908 1031204523 /nfs/dbraw/zinc/20/45/23/1031204523.db2.gz NICJFJVXAJEHHH-DAXSKMNVSA-N -1 0 316.328 3.753 20 30 DHEDRM Cc1ccc(C(=O)/C=C/c2c(Cl)nc3sccn23)c([O-])c1 ZINC000757477059 1031206467 /nfs/dbraw/zinc/20/64/67/1031206467.db2.gz YPCYTYZGLBFJOT-SNAWJCMRSA-N -1 0 318.785 3.959 20 30 DHEDRM CC(C)c1ccc(C=C2CCc3c(C#N)c(=O)[n-]cc3C2=O)cc1 ZINC000844554363 1031211551 /nfs/dbraw/zinc/21/15/51/1031211551.db2.gz KRWVMOXCAAYZNG-OQLLNIDSSA-N -1 0 318.376 3.995 20 30 DHEDRM C=C(C)CON=C(C)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000844619061 1031253966 /nfs/dbraw/zinc/25/39/66/1031253966.db2.gz APVHXAWOXTXOCV-UHFFFAOYSA-N -1 0 301.342 3.685 20 30 DHEDRM Cc1c(N=NCCCCC(=O)OC(C)(C)C)cccc1C(=O)[O-] ZINC000844622564 1031254337 /nfs/dbraw/zinc/25/43/37/1031254337.db2.gz 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C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000819856961 598221548 /nfs/dbraw/zinc/22/15/48/598221548.db2.gz PVYACHSOFYHWFB-GOSISDBHSA-N -1 0 322.320 3.529 20 30 DHEDRM C=CCn1c2ccccc2nc1S[C@@H](CCCC)C(=O)[O-] ZINC000736117404 599709430 /nfs/dbraw/zinc/70/94/30/599709430.db2.gz JAQAUIMTICRTTJ-AWEZNQCLSA-N -1 0 304.415 3.958 20 30 DHEDRM CCc1ccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)s1 ZINC000737260190 599886951 /nfs/dbraw/zinc/88/69/51/599886951.db2.gz BTMGNDLWQGGRDQ-MDZDMXLPSA-N -1 0 316.378 3.670 20 30 DHEDRM Cn1cc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000726740799 599907888 /nfs/dbraw/zinc/90/78/88/599907888.db2.gz PSXVRYDOEQBZBE-FLIBITNWSA-N -1 0 305.333 3.773 20 30 DHEDRM CCc1oc2ccccc2c1C=NOCc1ccc(C(=O)[O-])o1 ZINC000737290025 600162110 /nfs/dbraw/zinc/16/21/10/600162110.db2.gz LZSRMYHACLEPMI-UHFFFAOYSA-N -1 0 313.309 3.837 20 30 DHEDRM CCCCCCCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736983998 600188861 /nfs/dbraw/zinc/18/88/61/600188861.db2.gz 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C=CCCc1ccccc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000911401029 982418650 /nfs/dbraw/zinc/41/86/50/982418650.db2.gz AUPJUYXTGVTFGN-HUUCEWRRSA-N -1 0 301.386 3.635 20 30 DHEDRM C=CCCc1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000911401583 982418683 /nfs/dbraw/zinc/41/86/83/982418683.db2.gz KJIYCBWTGQDEKG-LSDHHAIUSA-N -1 0 301.386 3.635 20 30 DHEDRM COc1ccc2c(c1)CC/C(=C/c1cc(F)c([O-])c(F)c1)C2=O ZINC000255311928 1014916970 /nfs/dbraw/zinc/91/69/70/1014916970.db2.gz QMOAZVOYPRNOGS-SDQBBNPISA-N -1 0 316.303 3.892 20 30 DHEDRM CCCOc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1C ZINC001595966304 983171531 /nfs/dbraw/zinc/17/15/31/983171531.db2.gz GPQLAASPRUXHCW-GOSISDBHSA-N -1 0 324.380 3.893 20 30 DHEDRM C#C[C@H](NCc1ccc(C(=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC001588377478 983357257 /nfs/dbraw/zinc/35/72/57/983357257.db2.gz MKQNMLPGHFUDNA-INIZCTEOSA-N -1 0 317.747 3.641 20 30 DHEDRM C#CCOc1ccccc1CNc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001588505152 983549769 /nfs/dbraw/zinc/54/97/69/983549769.db2.gz 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C=CCCOc1ccccc1-c1cccc([C@@](C)(O)C(=O)[O-])c1 ZINC001588813446 984270089 /nfs/dbraw/zinc/27/00/89/984270089.db2.gz VNWHQXZETAXPHI-LJQANCHMSA-N -1 0 312.365 3.601 20 30 DHEDRM C=CCCc1ccccc1NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001588814619 984271287 /nfs/dbraw/zinc/27/12/87/984271287.db2.gz ILYZLXPURDYQPE-UHFFFAOYSA-N -1 0 313.397 3.779 20 30 DHEDRM C=CCCc1ccccc1NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001588817628 984277328 /nfs/dbraw/zinc/27/73/28/984277328.db2.gz QXCHJUOINCVEDK-BENRWUELSA-N -1 0 311.337 3.748 20 30 DHEDRM C=CCN(Cc1ccccc1F)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001588831898 984318685 /nfs/dbraw/zinc/31/86/85/984318685.db2.gz WCPWJYCKVNMWIA-SFHVURJKSA-N -1 0 324.355 3.511 20 30 DHEDRM C=C(C)CN(Cc1ccccc1)C(=O)c1c([O-])cc(F)cc1F ZINC000684333107 1015046347 /nfs/dbraw/zinc/04/63/47/1015046347.db2.gz LGULQBUKRFVAEZ-UHFFFAOYSA-N -1 0 317.335 3.889 20 30 DHEDRM C=C1CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000581612821 1015050496 /nfs/dbraw/zinc/05/04/96/1015050496.db2.gz 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ZINC001589735145 987983381 /nfs/dbraw/zinc/98/33/81/987983381.db2.gz MJVXLCAKEDAWQN-ZDUSSCGKSA-N -1 0 321.380 3.933 20 30 DHEDRM N#CC(=C([O-])c1ccnc2ccccc21)c1nc2ccccc2o1 ZINC000179307337 1015659547 /nfs/dbraw/zinc/65/95/47/1015659547.db2.gz OMRLHNZJACUYJB-AWEZNQCLSA-N -1 0 313.316 3.866 20 30 DHEDRM N#CC(=C([O-])c1ccnc2ccccc21)c1nc2ccccc2o1 ZINC000179307331 1015660268 /nfs/dbraw/zinc/66/02/68/1015660268.db2.gz OMRLHNZJACUYJB-CQSZACIVSA-N -1 0 313.316 3.866 20 30 DHEDRM [O-]C(Cc1cn2ccsc2n1)=Nc1cnc2c(c1)CCCC2 ZINC000329326495 1015685167 /nfs/dbraw/zinc/68/51/67/1015685167.db2.gz WQTXCUNMVJRMRX-UHFFFAOYSA-N -1 0 312.398 3.500 20 30 DHEDRM COc1cc(Nc2ccc(C#N)cc2Cl)cc(C(=O)[O-])c1 ZINC001213590687 1015692330 /nfs/dbraw/zinc/69/23/30/1015692330.db2.gz FVXRHYMLYOGCAU-UHFFFAOYSA-N -1 0 302.717 3.662 20 30 DHEDRM COc1cccc(C=Nc2ccc(Cl)c(C(=O)[O-])c2)c1O ZINC001599666354 994736088 /nfs/dbraw/zinc/73/60/88/994736088.db2.gz VIKPSMVWTRJIBH-UHFFFAOYSA-N -1 0 305.717 3.503 20 30 DHEDRM 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604604971 /nfs/dbraw/zinc/60/49/71/604604971.db2.gz HMBNOEWGQDESJI-LLVKDONJSA-N -1 0 300.383 3.511 20 30 DHEDRM C=CCOc1ccccc1/C=C\C(=O)c1ccc(C(=O)[O-])cc1 ZINC000825702951 604626228 /nfs/dbraw/zinc/62/62/28/604626228.db2.gz ZWOZIEXLBWXLKF-QXMHVHEDSA-N -1 0 308.333 3.846 20 30 DHEDRM COc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000832282632 604630032 /nfs/dbraw/zinc/63/00/32/604630032.db2.gz WIZOAOYGEHURSG-WAPJZHGLSA-N -1 0 316.740 3.943 20 30 DHEDRM CC(N=Nc1cnc2ccccc2n1)[C@@H](C)CCCCC(=O)[O-] ZINC000814831061 604638724 /nfs/dbraw/zinc/63/87/24/604638724.db2.gz ZHBQTKSIURGWNY-LBPRGKRZSA-N -1 0 314.389 3.699 20 30 DHEDRM CC(N=Nc1cnnc2ccccc12)[C@@H](C)CCCCC(=O)[O-] ZINC000814849225 604640673 /nfs/dbraw/zinc/64/06/73/604640673.db2.gz MWQSZVJVLZMTMG-LBPRGKRZSA-N -1 0 314.389 3.699 20 30 DHEDRM CC(C)(C#N)c1ccccc1COc1ccc(CC(=O)[O-])cc1 ZINC000826081353 604649410 /nfs/dbraw/zinc/64/94/10/604649410.db2.gz PHMLXJSOFYQQNG-UHFFFAOYSA-N -1 0 309.365 3.694 20 30 DHEDRM C=C[C@@H](CC(=O)OCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000833371021 604730011 /nfs/dbraw/zinc/73/00/11/604730011.db2.gz KLWWEWKLGNTQEX-LBPRGKRZSA-N -1 0 316.378 3.849 20 30 DHEDRM C=C[C@H](CC(=O)OCc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000833371307 604732570 /nfs/dbraw/zinc/73/25/70/604732570.db2.gz NBPIDGJIHNGNBL-OAHLLOKOSA-N -1 0 324.376 3.717 20 30 DHEDRM C=CCC[C@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833372883 604791786 /nfs/dbraw/zinc/79/17/86/604791786.db2.gz AFKBHXXCJYYDHN-SFHVURJKSA-N -1 0 323.392 3.751 20 30 DHEDRM C=C[C@@H](CC(=O)N(C)c1ccccc1C(=O)[O-])c1ccccc1 ZINC000833370706 604809831 /nfs/dbraw/zinc/80/98/31/604809831.db2.gz GSLKAVMTCGYFOM-AWEZNQCLSA-N -1 0 309.365 3.708 20 30 DHEDRM C=CCN(C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-])C1CC1 ZINC000833375386 604918784 /nfs/dbraw/zinc/91/87/84/604918784.db2.gz VEQWSHRNYSUZHN-UHFFFAOYSA-N -1 0 322.430 3.926 20 30 DHEDRM COc1ccc(C#N)cc1CNc1cc(Cl)cc(C(=O)[O-])c1 ZINC000832152437 604984791 /nfs/dbraw/zinc/98/47/91/604984791.db2.gz 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C=CCn1ncc2ccc(NCc3ccc(C(=O)[O-])s3)cc21 ZINC001602731166 971412311 /nfs/dbraw/zinc/41/23/11/971412311.db2.gz WJFHTGQJZYDWSD-UHFFFAOYSA-N -1 0 313.382 3.594 20 30 DHEDRM CC#CCCCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001602735167 971416907 /nfs/dbraw/zinc/41/69/07/971416907.db2.gz UTFHWNNPGZBLQL-NSHDSACASA-N -1 0 319.426 3.703 20 30 DHEDRM O=C(CC1CCCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000048517853 1013082358 /nfs/dbraw/zinc/08/23/58/1013082358.db2.gz UAIHLFWMJSEZDI-UHFFFAOYSA-N -1 0 301.795 3.566 20 30 DHEDRM CC[C@H](C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000048519270 1013098812 /nfs/dbraw/zinc/09/88/12/1013098812.db2.gz YTQLWXNPLKFLQN-ZETCQYMHSA-N -1 0 310.202 3.685 20 30 DHEDRM C=C[C@@H](CC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1ccccc1 ZINC000652089295 954047161 /nfs/dbraw/zinc/04/71/61/954047161.db2.gz YYYIVNBKOJFGBE-HOTGVXAUSA-N -1 0 317.429 3.600 20 30 DHEDRM C=CCCC1(CNC(=O)Cc2ccccc2C(=O)[O-])CCCC1 ZINC000659165764 954312953 /nfs/dbraw/zinc/31/29/53/954312953.db2.gz FTLNLVWBZRFUPM-UHFFFAOYSA-N -1 0 315.413 3.570 20 30 DHEDRM Cc1sc(NC(=O)C2(C(=O)[O-])CCCCCC2)c(C#N)c1C ZINC001594511789 955395660 /nfs/dbraw/zinc/39/56/60/955395660.db2.gz FJWOKBSXNXBXFK-UHFFFAOYSA-N -1 0 320.414 3.600 20 30 DHEDRM C=CCCCCCCCCNC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000861456965 955915721 /nfs/dbraw/zinc/91/57/21/955915721.db2.gz UQFYKGYHBGKOBV-HZPDHXFCSA-N -1 0 324.465 3.655 20 30 DHEDRM C=CC(C)(C)CC(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC000902831109 956820034 /nfs/dbraw/zinc/82/00/34/956820034.db2.gz WLJKTNHATZKFEW-CQSZACIVSA-N -1 0 315.413 3.659 20 30 DHEDRM N#CC1(c2ccccc2)CC(Nc2cccc(CCC(=O)[O-])c2)C1 ZINC001261369475 957254114 /nfs/dbraw/zinc/25/41/14/957254114.db2.gz AHGFHFKPYFQOCC-UHFFFAOYSA-N -1 0 320.392 3.740 20 30 DHEDRM CC(C)(C)c1ccc(C#N)c(Oc2ccc(CC(=O)[O-])cc2)n1 ZINC001331254614 957731191 /nfs/dbraw/zinc/73/11/91/957731191.db2.gz OSBUFHFQPQIPJX-UHFFFAOYSA-N -1 0 310.353 3.670 20 30 DHEDRM C#CCCOc1ccc(CNc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001588395151 958038942 /nfs/dbraw/zinc/03/89/42/958038942.db2.gz CRUSNUKBZOCWAP-UHFFFAOYSA-N -1 0 309.365 3.707 20 30 DHEDRM C=CCCC(C)(C)CNC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001588457121 958444508 /nfs/dbraw/zinc/44/45/08/958444508.db2.gz LKBMGABEMVBVQR-UHFFFAOYSA-N -1 0 308.353 3.638 20 30 DHEDRM C=CCC1(NC(=O)Nc2cccc(CC(=O)[O-])c2)CCCCC1 ZINC001588457607 958452188 /nfs/dbraw/zinc/45/21/88/958452188.db2.gz HKCBYCKUPXOKMI-UHFFFAOYSA-N -1 0 316.401 3.714 20 30 DHEDRM C=CCCC[C@H](C(=O)N[C@H](CC(C)C)C(=O)[O-])c1ccccc1 ZINC001588457826 958455958 /nfs/dbraw/zinc/45/59/58/958455958.db2.gz FVWWZPQOMJXFKA-DLBZAZTESA-N -1 0 317.429 3.742 20 30 DHEDRM C=CCC1(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CCCC1 ZINC001588458313 958460659 /nfs/dbraw/zinc/46/06/59/958460659.db2.gz RQGUELFZACOSQY-HNNXBMFYSA-N -1 0 324.465 3.559 20 30 DHEDRM C=CCCC[C@@H](C(=O)NC[C@H](C(=O)[O-])C(C)C)c1ccccc1 ZINC001573328889 958503045 /nfs/dbraw/zinc/50/30/45/958503045.db2.gz RELASHRFOLXXLA-SJORKVTESA-N -1 0 317.429 3.600 20 30 DHEDRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000048582895 1013202702 /nfs/dbraw/zinc/20/27/02/1013202702.db2.gz KDNPPDHIRAVUAA-LBPRGKRZSA-N -1 0 313.419 3.557 20 30 DHEDRM Oc1ccc(Cl)cc1/C=N\[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000255050131 1013255227 /nfs/dbraw/zinc/25/52/27/1013255227.db2.gz YIVDHOIYZPDEQT-CRAXFROJSA-N -1 0 305.805 3.812 20 30 DHEDRM C=C(C)C[C@H](NC(=O)/C=C(/CC)c1cccc(Cl)c1)C(=O)[O-] ZINC001573322018 962763898 /nfs/dbraw/zinc/76/38/98/962763898.db2.gz TUCHKOWHZFFJPM-WQTVUKCASA-N -1 0 321.804 3.669 20 30 DHEDRM C=C(C)C(C)(C)C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001573322191 962766189 /nfs/dbraw/zinc/76/61/89/962766189.db2.gz VHKHQSZFHYHCEX-UHFFFAOYSA-N -1 0 310.419 3.680 20 30 DHEDRM C=C(CC(C)C)C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001573326045 962800796 /nfs/dbraw/zinc/80/07/96/962800796.db2.gz RHMSVZMOFUZEKA-KRWDZBQOSA-N -1 0 311.381 3.684 20 30 DHEDRM C=C(CC(C)C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001573326573 962804779 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C#CCCCCCC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001588440649 964041801 /nfs/dbraw/zinc/04/18/01/964041801.db2.gz GZXGRAMHTPQRNL-UHFFFAOYSA-N -1 0 311.740 3.700 20 30 DHEDRM C=C[C@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccccc1 ZINC001588450573 964096721 /nfs/dbraw/zinc/09/67/21/964096721.db2.gz SIUBUZBYFQHHLB-KRWDZBQOSA-N -1 0 309.365 3.612 20 30 DHEDRM Cc1nc(C([O-])=C(C#N)c2nc3ccccc3s2)sc1C ZINC000683689191 1013856058 /nfs/dbraw/zinc/85/60/58/1013856058.db2.gz QLRFJQKQSRBTDV-SNVBAGLBSA-N -1 0 313.407 3.860 20 30 DHEDRM CCOc1cccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000748146242 1014024970 /nfs/dbraw/zinc/02/49/70/1014024970.db2.gz GFWKHXDHLLXXCZ-CLFYSBASSA-N -1 0 313.309 3.595 20 30 DHEDRM CC1(C)c2ccccc2C(=O)/C1=C/c1ccc([N+](=O)[O-])c([O-])c1 ZINC000748148543 1014034871 /nfs/dbraw/zinc/03/48/71/1014034871.db2.gz TUGZASQPKNXAQI-ZROIWOOFSA-N -1 0 309.321 3.858 20 30 DHEDRM C=C1CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC000565102038 974569335 /nfs/dbraw/zinc/56/93/35/974569335.db2.gz BDXROOBCIGTWRG-ZDUSSCGKSA-N -1 0 300.185 3.771 20 30 DHEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000659166752 975766137 /nfs/dbraw/zinc/76/61/37/975766137.db2.gz SALKZORACVPZSX-RDJZCZTQSA-N -1 0 315.413 3.569 20 30 DHEDRM CC(C)[C@H](Oc1ccccc1-c1ccsc1C#N)C(=O)[O-] ZINC000520611962 1014378069 /nfs/dbraw/zinc/37/80/69/1014378069.db2.gz WYQUCRHORMBBCJ-HNNXBMFYSA-N -1 0 301.367 3.775 20 30 DHEDRM C[C@H](CC(C)(C)C#N)OC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001592439329 978089850 /nfs/dbraw/zinc/08/98/50/978089850.db2.gz FUJOMBOVIPIQKB-SECBINFHSA-N -1 0 309.749 3.523 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccc(C)s1 ZINC000756899173 978700525 /nfs/dbraw/zinc/70/05/25/978700525.db2.gz RVEHEMIVFWYELA-UHFFFAOYSA-N -1 0 304.371 3.599 20 30 DHEDRM O=C([O-])c1cccc(NN=Cc2cc(F)cc3cccnc23)c1 ZINC000760217446 978705321 /nfs/dbraw/zinc/70/53/21/978705321.db2.gz VWFWAASWDDUBTK-UHFFFAOYSA-N -1 0 309.300 3.518 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1N=NC1CCC[C@H]1CCCF ZINC000800815289 978847547 /nfs/dbraw/zinc/84/75/47/978847547.db2.gz RXWRWECIYGLEPU-NSHDSACASA-N -1 0 308.353 3.711 20 30 DHEDRM C[C@H]1C(N=Nc2cccc3c2CCCC3)CC[C@@H]1CC(=O)[O-] ZINC000814811858 978887461 /nfs/dbraw/zinc/88/74/61/978887461.db2.gz WJWVZEUQVLPAKH-TZMCWYRMSA-N -1 0 300.402 3.854 20 30 DHEDRM O=C([O-])c1ccc(N=NC2CC[C@H](Cc3ccccc3)C2)nc1 ZINC000814890124 978896738 /nfs/dbraw/zinc/89/67/38/978896738.db2.gz ILFCCBXCDCQHFY-CQSZACIVSA-N -1 0 309.369 3.591 20 30 DHEDRM CC(C)[C@H](Cc1ccccc1)NN=C1CC[C@H](CC(=O)[O-])[C@H]1C ZINC000814906626 978897898 /nfs/dbraw/zinc/89/78/98/978897898.db2.gz CDCBSBALDOMFBP-KYJSFNMBSA-N -1 0 316.445 3.720 20 30 DHEDRM C=CC[C@H]1N(C(=O)c2ccc(/C=C/C(=O)[O-])o2)CCCC1(C)C ZINC000826573015 978947070 /nfs/dbraw/zinc/94/70/70/978947070.db2.gz YRBMWDQBGKUJCG-TUPIDYKKSA-N -1 0 317.385 3.584 20 30 DHEDRM COc1ccc2cc(C(=O)/C=C/c3ccc(C(=O)[O-])[nH]3)ccc2c1 ZINC000832504774 979046262 /nfs/dbraw/zinc/04/62/62/979046262.db2.gz XEMFLDWMWLZQEW-RMKNXTFCSA-N -1 0 321.332 3.771 20 30 DHEDRM C[C@@H]1C(N=Nc2ccc(CC(=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC000848414766 979466988 /nfs/dbraw/zinc/46/69/88/979466988.db2.gz CQDVAZPTRNVLGK-GUYCJALGSA-N -1 0 308.381 3.905 20 30 DHEDRM C[C@H]1C(N=Nc2ccc(CC(=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000848414764 979467023 /nfs/dbraw/zinc/46/70/23/979467023.db2.gz CQDVAZPTRNVLGK-CXAGYDPISA-N -1 0 308.381 3.905 20 30 DHEDRM C=CC[C@@H]1N(C(=O)/C=C\c2cc(C(=O)[O-])co2)CCCC1(C)C ZINC000864158016 979770074 /nfs/dbraw/zinc/77/00/74/979770074.db2.gz XYIWUJNREXDFBI-LZNQSLFOSA-N -1 0 317.385 3.584 20 30 DHEDRM CCC[C@@H](C(=O)Nc1n[nH]c(C(F)(F)F)n1)c1ccccc1 ZINC000071798889 1014844577 /nfs/dbraw/zinc/84/45/77/1014844577.db2.gz XTIUQWCECMHAHM-SNVBAGLBSA-N -1 0 312.295 3.995 20 30 DHEDRM Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C2CC2)n1 ZINC000521973422 1014854996 /nfs/dbraw/zinc/85/49/96/1014854996.db2.gz KPJBXXZNKPSHLW-AWEZNQCLSA-N -1 0 317.348 3.899 20 30 DHEDRM C#CCC(C)(C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001588383747 983383874 /nfs/dbraw/zinc/38/38/74/983383874.db2.gz JIADBRZYZXKSNY-UHFFFAOYSA-N -1 0 314.168 3.680 20 30 DHEDRM C=C(Br)CS[C@@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC001588529346 983581041 /nfs/dbraw/zinc/58/10/41/983581041.db2.gz WASNNKARVNVYSZ-LBPRGKRZSA-N -1 0 315.232 3.633 20 30 DHEDRM C=C(C)C[C@H](NC(=O)c1ccc(-c2ccccc2)s1)C(=O)[O-] ZINC001588546852 983617486 /nfs/dbraw/zinc/61/74/86/983617486.db2.gz RDOZEGRPQHICOM-ZDUSSCGKSA-N -1 0 315.394 3.564 20 30 DHEDRM CCN(C[C@H](C)C#N)[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001596231103 983625642 /nfs/dbraw/zinc/62/56/42/983625642.db2.gz GXIMRGPZZWHZIM-NOZJJQNGSA-N -1 0 315.200 3.601 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N([C@@H](C)c1ccccc1Cl)C1CC1 ZINC001588612196 983702223 /nfs/dbraw/zinc/70/22/23/983702223.db2.gz KTHZMRYEWKAUOD-LBPRGKRZSA-N -1 0 321.804 3.813 20 30 DHEDRM C=C[C@@H](C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])c1ccccc1 ZINC001588661660 983787035 /nfs/dbraw/zinc/78/70/35/983787035.db2.gz NMHOHZQJAJRGHU-MRXNPFEDSA-N -1 0 317.429 3.552 20 30 DHEDRM C=C[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1)c1ccccc1 ZINC001588663118 983793475 /nfs/dbraw/zinc/79/34/75/983793475.db2.gz BZKVIHGOGKYPKZ-ZWKOTPCHSA-N -1 0 323.392 3.597 20 30 DHEDRM C=C[C@H](C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC001588664295 983799556 /nfs/dbraw/zinc/79/95/56/983799556.db2.gz PHTQETSFCYJDCQ-KDOFPFPSSA-N -1 0 323.392 3.858 20 30 DHEDRM C=C[C@@H](CC)CC(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21 ZINC001588691262 983879527 /nfs/dbraw/zinc/87/95/27/983879527.db2.gz VWESAISCRXEXJE-ZDUSSCGKSA-N -1 0 301.386 3.575 20 30 DHEDRM C=CC1(CC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)CCCCC1 ZINC001588714524 983951694 /nfs/dbraw/zinc/95/16/94/983951694.db2.gz IQNLETKOWJJXQB-KRWDZBQOSA-N -1 0 315.413 3.797 20 30 DHEDRM C=CC1(CC(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCCCC1 ZINC001588719170 983958800 /nfs/dbraw/zinc/95/88/00/983958800.db2.gz MRPQCSITGDEXOA-UHFFFAOYSA-N -1 0 305.349 3.989 20 30 DHEDRM C=C[C@H]1CCCCN1C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001588719344 983959929 /nfs/dbraw/zinc/95/99/29/983959929.db2.gz PSMSVHDLQTTXPI-NSHDSACASA-N -1 0 308.403 3.636 20 30 DHEDRM C=CC[C@@H](Sc1ncnc2sc3c(c21)CCCC3)C(=O)[O-] ZINC001588759697 984113508 /nfs/dbraw/zinc/11/35/08/984113508.db2.gz ZCHRNTPNYCAOSG-LLVKDONJSA-N -1 0 320.439 3.692 20 30 DHEDRM C=CCC1(CNC(=O)Nc2ccc(CC(=O)[O-])cc2)CCCC1 ZINC001588767274 984129365 /nfs/dbraw/zinc/12/93/65/984129365.db2.gz RLKRVLRSNSOKMG-UHFFFAOYSA-N -1 0 316.401 3.572 20 30 DHEDRM C=CC[C@@H]1N(C(=O)Nc2ccc(C(=O)[O-])cc2)CCCC1(C)C ZINC001588774066 984150868 /nfs/dbraw/zinc/15/08/68/984150868.db2.gz RLMUKDFHXSABBL-HNNXBMFYSA-N -1 0 316.401 3.983 20 30 DHEDRM C=CCCC[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1OCC ZINC001588782584 984173530 /nfs/dbraw/zinc/17/35/30/984173530.db2.gz JIVLTMXRAXDFCD-GFCCVEGCSA-N -1 0 320.389 3.650 20 30 DHEDRM C=CCCC[C@@H](NC(=O)c1cc(C(=O)[O-])ccn1)c1ccccc1 ZINC001588793425 984218872 /nfs/dbraw/zinc/21/88/72/984218872.db2.gz XNZVYAQFMDQCGR-MRXNPFEDSA-N -1 0 324.380 3.607 20 30 DHEDRM C=CCOc1ccc(Oc2ncc(C(=O)[O-])cc2Cl)cc1 ZINC001588872728 984442083 /nfs/dbraw/zinc/44/20/83/984442083.db2.gz FNDMSICKUSJIIF-UHFFFAOYSA-N -1 0 305.717 3.790 20 30 DHEDRM Cc1cc(C)c(C(C)N=Nc2cccc(F)c2C(=O)[O-])c(O)c1 ZINC001589017236 985001921 /nfs/dbraw/zinc/00/19/21/985001921.db2.gz FUDCLNSDSAIYNL-UHFFFAOYSA-N -1 0 316.332 3.682 20 30 DHEDRM C=CCCC[C@@H](C(=O)[N-]OCc1ccccn1)c1ccccc1 ZINC000909519334 1015092122 /nfs/dbraw/zinc/09/21/22/1015092122.db2.gz HIHRMXAHKKIANR-GOSISDBHSA-N -1 0 310.397 3.770 20 30 DHEDRM N#CCc1cccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)c1 ZINC000313451906 1015161466 /nfs/dbraw/zinc/16/14/66/1015161466.db2.gz SLTZROVHBWWGKD-UHFFFAOYSA-N -1 0 314.385 3.506 20 30 DHEDRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCc1ccsc1 ZINC000077879700 1015214107 /nfs/dbraw/zinc/21/41/07/1015214107.db2.gz FZMRTNODRFCKFU-LBPRGKRZSA-N -1 0 323.439 3.728 20 30 DHEDRM CCOc1ccc(C=NNc2cccc(F)c2C(=O)[O-])cc1F ZINC001597082551 986638112 /nfs/dbraw/zinc/63/81/12/986638112.db2.gz XYZBXXCCJKYPHM-UHFFFAOYSA-N -1 0 320.295 3.508 20 30 DHEDRM CCc1c2ccccc2oc1C(=O)/C=C\c1cc(C(=O)[O-])n(C)c1 ZINC001597400741 987665650 /nfs/dbraw/zinc/66/56/50/987665650.db2.gz KRQAHRWLJYMJKC-HJWRWDBZSA-N -1 0 323.348 3.928 20 30 DHEDRM CCc1nc(C)c(C(C)=NNc2cccc(F)c2C(=O)[O-])s1 ZINC001597658445 988725257 /nfs/dbraw/zinc/72/52/57/988725257.db2.gz VRRRZPAXSWWNES-UHFFFAOYSA-N -1 0 321.377 3.687 20 30 DHEDRM CC(C)CC(N=Nc1cccc(C(=O)[O-])c1F)c1ccncc1 ZINC001591104446 991727314 /nfs/dbraw/zinc/72/73/14/991727314.db2.gz CXKHTFCYEGKVOI-UHFFFAOYSA-N -1 0 315.348 3.781 20 30 DHEDRM Cc1cc([N+](=O)[O-])ccc1/C=C\C(=O)c1ccc([O-])c(F)c1 ZINC000588450035 1015660559 /nfs/dbraw/zinc/66/05/59/1015660559.db2.gz HGVDDZWETJPLLW-UTCJRWHESA-N -1 0 301.273 3.644 20 30 DHEDRM COc1ccc(C(=O)/C=C/c2cccc(C)c2)cc1CC(=O)[O-] ZINC000007353274 1015703628 /nfs/dbraw/zinc/70/36/28/1015703628.db2.gz JKQUWAIVKYSCHP-SOFGYWHQSA-N -1 0 310.349 3.527 20 30 DHEDRM COc1cccc(CSCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001599677246 994918332 /nfs/dbraw/zinc/91/83/32/994918332.db2.gz VMKGMBBIPDGUEO-UHFFFAOYSA-N -1 0 313.378 3.698 20 30 DHEDRM C=CCCOc1ccccc1-c1cnn([C@H](C)CC(=O)[O-])c1 ZINC000657205511 1016039511 /nfs/dbraw/zinc/03/95/11/1016039511.db2.gz UFQLIMVIBAKHLF-CYBMUJFWSA-N -1 0 300.358 3.541 20 30 DHEDRM CC1(C)C[C@]1(NCc1cccc(C(=O)[O-])c1C#N)c1ccccc1 ZINC001593868959 996676475 /nfs/dbraw/zinc/67/64/75/996676475.db2.gz RZEMMIBPHVAIPF-FQEVSTJZSA-N -1 0 320.392 3.671 20 30 DHEDRM CC1(C)CCCN(Cc2ccc(C(=O)[O-])c(Cl)c2)[C@@H]1C#N ZINC001593910575 996794874 /nfs/dbraw/zinc/79/48/74/996794874.db2.gz ZWYJKVCAYJICNZ-CQSZACIVSA-N -1 0 306.793 3.552 20 30 DHEDRM COc1ccc(C(=O)[O-])cc1CSc1c(C)cccc1C#N ZINC001599499877 997096611 /nfs/dbraw/zinc/09/66/11/997096611.db2.gz QIQLOFSZDYGEBQ-UHFFFAOYSA-N -1 0 313.378 3.866 20 30 DHEDRM O=C(/C=C/c1cc2c(c(Cl)c1)OCO2)c1ccc([O-])c(F)c1 ZINC000728438135 1016142978 /nfs/dbraw/zinc/14/29/78/1016142978.db2.gz AVILYCXNDCICJO-HNQUOIGGSA-N -1 0 320.703 3.810 20 30 DHEDRM COc1cc(NCc2ccc(C(C)(C)C#N)cc2)ccc1C(=O)[O-] ZINC001599444034 997978404 /nfs/dbraw/zinc/97/84/04/997978404.db2.gz SOKUYVQENCRHJR-UHFFFAOYSA-N -1 0 324.380 3.807 20 30 DHEDRM COc1ccc(-c2ccc(C(=O)[O-])c(F)c2)cc1C1(C#N)CC1 ZINC001599468328 998403292 /nfs/dbraw/zinc/40/32/92/998403292.db2.gz MHDKYVZBLSIFDL-UHFFFAOYSA-N -1 0 311.312 3.755 20 30 DHEDRM COc1cc(C=CC(=O)c2sccc2[O-])cc(Cl)c1O ZINC000588495751 1016308570 /nfs/dbraw/zinc/30/85/70/1016308570.db2.gz MBXMSOSUGFHKFM-IHWYPQMZSA-N -1 0 310.758 3.717 20 30 DHEDRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000079153385 1016386595 /nfs/dbraw/zinc/38/65/95/1016386595.db2.gz RLEQHGVEOGBZIW-MRVPVSSYSA-N -1 0 323.867 3.980 20 30 DHEDRM Cc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3s2)nc1C ZINC000342452754 1016496078 /nfs/dbraw/zinc/49/60/78/1016496078.db2.gz WVCZMYFMXBPTDA-GFCCVEGCSA-N -1 0 322.393 3.502 20 30 DHEDRM CCCCC[C@@H]1CCCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C ZINC001148506118 1032411340 /nfs/dbraw/zinc/41/13/40/1032411340.db2.gz TZFBOZBGWSUDRS-OAHLLOKOSA-N -1 0 315.417 3.542 20 30 DHEDRM COc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)ccc1C ZINC000772991922 1032418337 /nfs/dbraw/zinc/41/83/37/1032418337.db2.gz XWSQNLGWJNXDPE-UHFFFAOYSA-N -1 0 318.760 3.801 20 30 DHEDRM O=C(/C=C/c1ccn(-c2ccccc2)n1)c1ccc(F)cc1[O-] ZINC000773154585 1032582516 /nfs/dbraw/zinc/58/25/16/1032582516.db2.gz UWCMCCMFIIGIPN-VQHVLOKHSA-N -1 0 308.312 3.613 20 30 DHEDRM COc1nc2ccccc2cc1C=CC(=O)c1sccc1[O-] ZINC000773151401 1032578883 /nfs/dbraw/zinc/57/88/83/1032578883.db2.gz WGKWIGGPAIRKDG-VOTSOKGWSA-N -1 0 311.362 3.907 20 30 DHEDRM Cc1cc(S(=O)(=O)[N-]C(=O)CCC2CCCC2)c(C)s1 ZINC000049501742 1011938907 /nfs/dbraw/zinc/93/89/07/1011938907.db2.gz JIDVYJGKFFHQFI-UHFFFAOYSA-N -1 0 315.460 3.981 20 30 DHEDRM CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000073086693 1017139408 /nfs/dbraw/zinc/13/94/08/1017139408.db2.gz IHOQRRGTYAOREZ-QMMMGPOBSA-N -1 0 324.229 3.931 20 30 DHEDRM C=CC[C@H]1N(C(=O)c2cc(F)c([O-])c(F)c2)CCCC1(C)C ZINC000444633362 1017602181 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N#CC(=C([O-])C=Cc1cccs1)c1cnc2ccccc2n1 ZINC000588587502 1018956651 /nfs/dbraw/zinc/95/66/51/1018956651.db2.gz MUIIKSPFJDRYOS-MEJMFZKBSA-N -1 0 305.362 3.581 20 30 DHEDRM C=C[C@@](C)(O)CC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000278744848 1019171397 /nfs/dbraw/zinc/17/13/97/1019171397.db2.gz MCNYJVYUMUIWHK-GFCCVEGCSA-N -1 0 324.591 3.618 20 30 DHEDRM COc1cc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1C ZINC000588598873 1019285857 /nfs/dbraw/zinc/28/58/57/1019285857.db2.gz JGIUWHIOCQDCBK-ALCCZGGFSA-N -1 0 313.309 3.514 20 30 DHEDRM COc1ccc(C)cc1/C=C/C(=O)c1csc(C(=O)[O-])c1 ZINC000730148365 1019953956 /nfs/dbraw/zinc/95/39/56/1019953956.db2.gz FORSSBVDZKNNOH-SNAWJCMRSA-N -1 0 302.351 3.659 20 30 DHEDRM COc1ccc(/C=C/C(=O)c2csc(C(=O)[O-])c2)cc1C ZINC000730148447 1019954100 /nfs/dbraw/zinc/95/41/00/1019954100.db2.gz GSGPYBFAXGPWHC-HWKANZROSA-N -1 0 302.351 3.659 20 30 DHEDRM Cc1ccc(C(=O)/C=C/c2ccc(OC(F)(F)C(=O)[O-])cc2)o1 ZINC000730729252 1020015979 /nfs/dbraw/zinc/01/59/79/1020015979.db2.gz 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O=[N+]([O-])c1cc(Cl)cc(C=Nc2ccc(F)c(F)c2)c1[O-] ZINC000920942382 1022191567 /nfs/dbraw/zinc/19/15/67/1022191567.db2.gz ATYBWCZPLJAGAI-UHFFFAOYSA-N -1 0 312.659 3.983 20 30 DHEDRM C#C[C@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])C1CCOCC1 ZINC000852998897 1022193190 /nfs/dbraw/zinc/19/31/90/1022193190.db2.gz TUYHVDRZQDNXBX-RMNBPEERSA-N -1 0 312.196 3.546 20 30 DHEDRM O=C([O-])c1ccccc1NN=Cc1ccc(C(F)(F)F)cc1 ZINC000920953633 1022194054 /nfs/dbraw/zinc/19/40/54/1022194054.db2.gz LWYUBBOPRIUWKU-UHFFFAOYSA-N -1 0 308.259 3.850 20 30 DHEDRM CN(C)c1ccc(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)cc1 ZINC000175321748 1022340319 /nfs/dbraw/zinc/34/03/19/1022340319.db2.gz ULFYRRJQCHLDOA-FPYGCLRLSA-N -1 0 303.308 3.633 20 30 DHEDRM C=CCO[N-]C(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000837049042 1022616508 /nfs/dbraw/zinc/61/65/08/1022616508.db2.gz XHSBFRPQCZKIKP-UHFFFAOYSA-N -1 0 319.710 3.624 20 30 DHEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc(C)c(C)c2)s1 ZINC000584693018 1022627216 /nfs/dbraw/zinc/62/72/16/1022627216.db2.gz 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CC(=NNCCc1ccncc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000789094040 1023997042 /nfs/dbraw/zinc/99/70/42/1023997042.db2.gz MNUGFSCHFYZZSK-UHFFFAOYSA-N -1 0 324.211 3.650 20 30 DHEDRM Cc1ccc2nc(/C=C/C(=O)c3cc(F)cc(F)c3[O-])cn2c1 ZINC000789145093 1024005627 /nfs/dbraw/zinc/00/56/27/1024005627.db2.gz YSVMRZNIHUZERL-ONEGZZNKSA-N -1 0 314.291 3.523 20 30 DHEDRM N#Cc1ccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000130106060 1024130725 /nfs/dbraw/zinc/13/07/25/1024130725.db2.gz AUEWVCXYRJBQQV-UHFFFAOYSA-N -1 0 307.136 3.823 20 30 DHEDRM O=C([O-])c1ccc(C(=O)/C=C/c2ccnn2-c2ccccc2)s1 ZINC000790605764 1024337411 /nfs/dbraw/zinc/33/74/11/1024337411.db2.gz ZJCMZTWNIHARHD-VOTSOKGWSA-N -1 0 324.361 3.528 20 30 DHEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(Cl)cc1C ZINC000131947670 1024442750 /nfs/dbraw/zinc/44/27/50/1024442750.db2.gz XJYOFOXQDPFQGD-OAHLLOKOSA-N -1 0 320.820 3.667 20 30 DHEDRM CC(C)c1ncsc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000453628830 1024562154 /nfs/dbraw/zinc/56/21/54/1024562154.db2.gz 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ZINC000793071331 1024877946 /nfs/dbraw/zinc/87/79/46/1024877946.db2.gz IDWNZXKWJMSLFI-ZDUSSCGKSA-N -1 0 302.399 3.592 20 30 DHEDRM O=C([O-])[C@@H]1CCC(N=Nc2cccc(Cl)n2)c2ccccc21 ZINC000793175472 1024925880 /nfs/dbraw/zinc/92/58/80/1024925880.db2.gz VHPQTVWVHJBJIB-GFCCVEGCSA-N -1 0 315.760 3.513 20 30 DHEDRM CCOC(=O)c1ccc(C#N)c(-c2ccc(Cl)c([O-])c2)c1 ZINC001243581856 1025178708 /nfs/dbraw/zinc/17/87/08/1025178708.db2.gz VIMSHDFYOIXMSN-UHFFFAOYSA-N -1 0 301.729 3.761 20 30 DHEDRM Cc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)s1 ZINC000041555621 1025410475 /nfs/dbraw/zinc/41/04/75/1025410475.db2.gz SCYOSIWLPFFDPK-SNVBAGLBSA-N -1 0 310.300 3.960 20 30 DHEDRM CCSc1ccc(Cl)cc1C([O-])=C(C#N)c1ccncn1 ZINC000354474764 1025440380 /nfs/dbraw/zinc/44/03/80/1025440380.db2.gz ZISWGSMTXRPDDO-GFCCVEGCSA-N -1 0 317.801 3.732 20 30 DHEDRM Cc1nc(CC2CC2)oc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000354663451 1025474976 /nfs/dbraw/zinc/47/49/76/1025474976.db2.gz GNCFLZWRSJMTOP-LBPRGKRZSA-N -1 0 321.336 3.567 20 30 DHEDRM CC(C)c1ccc2occ(C([O-])=C(C#N)C(=O)N3CCCC3)c2c1 ZINC000805852190 1025689360 /nfs/dbraw/zinc/68/93/60/1025689360.db2.gz WVRUCWJUJCYPQX-OAHLLOKOSA-N -1 0 324.380 3.501 20 30 DHEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@@H]2CCCSC2)c1[O-] ZINC000806551358 1025916470 /nfs/dbraw/zinc/91/64/70/1025916470.db2.gz KPGCMCBVCKUMHM-KLLFSAEGSA-N -1 0 314.794 3.516 20 30 DHEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@H]2CCCC2(F)F)c1[O-] ZINC000806550951 1025916910 /nfs/dbraw/zinc/91/69/10/1025916910.db2.gz HEXOQEDVLASAIJ-JIURPICXSA-N -1 0 304.680 3.561 20 30 DHEDRM O=C([O-])c1cccc(C(=O)/C=C/c2cc(F)c(F)cc2F)c1 ZINC000806558404 1025919244 /nfs/dbraw/zinc/91/92/44/1025919244.db2.gz BLSJDRYRYRZRIQ-SNAWJCMRSA-N -1 0 306.239 3.698 20 30 DHEDRM O=C([O-])[C@H]1C/C(=C\c2ccc(Cl)nc2)C(=O)c2ccccc21 ZINC000806559304 1025921359 /nfs/dbraw/zinc/92/13/59/1025921359.db2.gz ADPXAKHBMYOJIH-OIOXUXFSSA-N -1 0 313.740 3.573 20 30 DHEDRM CCOc1ccc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)cc1F ZINC000806558779 1025922006 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CC(=NN[C@@H]1CCSC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000808001226 1026173421 /nfs/dbraw/zinc/17/34/21/1026173421.db2.gz HHJQXSCCGBVBHR-MRVPVSSYSA-N -1 0 305.230 3.518 20 30 DHEDRM Cc1ccnc(C#N)c1-c1c(Cl)cc(C(=O)[O-])cc1Cl ZINC001244517028 1026737379 /nfs/dbraw/zinc/73/73/79/1026737379.db2.gz XJMMHNCJBQBGMH-UHFFFAOYSA-N -1 0 307.136 3.934 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C1(CCF)CC1 ZINC000810522097 1026772135 /nfs/dbraw/zinc/77/21/35/1026772135.db2.gz WRFUJOLDGHNSSX-CYBMUJFWSA-N -1 0 312.344 3.508 20 30 DHEDRM CC(=NNC[C@H]1CCSC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000811658526 1027044430 /nfs/dbraw/zinc/04/44/30/1027044430.db2.gz GYIZMJFYDZPHGK-SECBINFHSA-N -1 0 319.257 3.766 20 30 DHEDRM N#Cc1c(F)cccc1/C=C/C(=O)c1ccc([O-])c(Cl)c1 ZINC000811693829 1027069419 /nfs/dbraw/zinc/06/94/19/1027069419.db2.gz NJADDKZPYCFEGS-GQCTYLIASA-N -1 0 301.704 3.952 20 30 DHEDRM O=C([O-])c1csc(/C=C\C(=O)c2nccc3ccccc32)c1 ZINC000811698016 1027070528 /nfs/dbraw/zinc/07/05/28/1027070528.db2.gz HBLNEHATBZWQRA-WAYWQWQTSA-N -1 0 309.346 3.891 20 30 DHEDRM Cc1ccc(-c2nc(/C=C/C(=O)c3ccc(O)cc3[O-])co2)cc1 ZINC000156624728 1027133843 /nfs/dbraw/zinc/13/38/43/1027133843.db2.gz CDPMJZMAIKMZRH-RMKNXTFCSA-N -1 0 321.332 3.957 20 30 DHEDRM CC[C@@H](C)n1ncc(C(=O)Nc2cc(C#N)ccc2[O-])c1C1CC1 ZINC000156946209 1027203718 /nfs/dbraw/zinc/20/37/18/1027203718.db2.gz IVNLWRGSKXJMMW-LLVKDONJSA-N -1 0 324.384 3.561 20 30 DHEDRM C#C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccc(Cl)cc1 ZINC000812352726 1027251868 /nfs/dbraw/zinc/25/18/68/1027251868.db2.gz AHTRXJJVAXDWSU-AWEZNQCLSA-N -1 0 320.175 3.803 20 30 DHEDRM Cc1onc(C2CC2)c1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000562801336 1027607256 /nfs/dbraw/zinc/60/72/56/1027607256.db2.gz MRBLDUBSFGDLPQ-NSHDSACASA-N -1 0 323.377 3.960 20 30 DHEDRM Cc1onc(C2CC2)c1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000562801318 1027608814 /nfs/dbraw/zinc/60/88/14/1027608814.db2.gz MRBLDUBSFGDLPQ-LLVKDONJSA-N -1 0 323.377 3.960 20 30 DHEDRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1coc2ccccc12 ZINC000159049426 1027704903 /nfs/dbraw/zinc/70/49/03/1027704903.db2.gz DCHAPUSWPUZDIZ-SOFGYWHQSA-N -1 0 309.277 3.943 20 30 DHEDRM COc1ccncc1C/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000814184098 1027938026 /nfs/dbraw/zinc/93/80/26/1027938026.db2.gz USOLYYRUYUAPAP-NGYBGAFCSA-N -1 0 311.168 3.722 20 30 DHEDRM CC(CCCCCCC(=O)[O-])N=Nc1nc2ccccc2[nH]1 ZINC000814708292 1028165220 /nfs/dbraw/zinc/16/52/20/1028165220.db2.gz FSVWZFHXWVGMDK-UHFFFAOYSA-N -1 0 302.378 3.776 20 30 DHEDRM C[C@H]1C(N=Nc2ncc(Cl)cc2Cl)CC[C@@H]1CC(=O)[O-] ZINC000814740604 1028190303 /nfs/dbraw/zinc/19/03/03/1028190303.db2.gz QMALQVWHSNHTDV-HTQZYQBOSA-N -1 0 316.188 3.677 20 30 DHEDRM C[C@@H](C=Nn1c(=O)c2ccccc2[n-]c1=S)C1CCCCC1 ZINC000814780732 1028215681 /nfs/dbraw/zinc/21/56/81/1028215681.db2.gz HFDNVOVOUDFWPX-LBPRGKRZSA-N -1 0 315.442 3.736 20 30 DHEDRM CC(=NNCc1cccc(C)c1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814873024 1028258225 /nfs/dbraw/zinc/25/82/25/1028258225.db2.gz IPSUVMDQJNCGLJ-CVEARBPZSA-N -1 0 302.418 3.598 20 30 DHEDRM Cc1cc2ccccc2nc1N=NC1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000814896019 1028265064 /nfs/dbraw/zinc/26/50/64/1028265064.db2.gz DOQUJESNXJUYJT-ABAIWWIYSA-N -1 0 311.385 3.832 20 30 DHEDRM CC(=NNc1ccc(C#N)c(Cl)c1)c1csc(C(=O)[O-])c1 ZINC000814901655 1028268275 /nfs/dbraw/zinc/26/82/75/1028268275.db2.gz SPWUHGFBDGBNCP-UHFFFAOYSA-N -1 0 319.773 3.807 20 30 DHEDRM CC[C@H](C)CON=C(C)c1cccc(OCCCC(=O)[O-])c1 ZINC000814939130 1028295384 /nfs/dbraw/zinc/29/53/84/1028295384.db2.gz FSYAVPOKPKDOIG-ZDUSSCGKSA-N -1 0 307.390 3.717 20 30 DHEDRM CC(=NNc1ccc(F)c(F)c1F)c1cccc(C(=O)[O-])c1 ZINC000814945782 1028303236 /nfs/dbraw/zinc/30/32/36/1028303236.db2.gz PMUARGJXDRXDCC-UHFFFAOYSA-N -1 0 308.259 3.638 20 30 DHEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CC2=CCCCC2)c(F)c1 ZINC000075039785 1028489864 /nfs/dbraw/zinc/48/98/64/1028489864.db2.gz DMCOFUMUZQFTTE-UHFFFAOYSA-N -1 0 311.378 3.670 20 30 DHEDRM C=CCC(F)(F)C(=O)[N-][C@@H](C#N)c1cccc(Cl)c1Cl ZINC000815537079 1028531807 /nfs/dbraw/zinc/53/18/07/1028531807.db2.gz OSJVQONUGQAXGT-JTQLQIEISA-N -1 0 319.138 3.886 20 30 DHEDRM C[C@H]1CCc2c(C(=O)Nc3cc(C#N)ccc3[O-])csc2C1 ZINC000748003438 1028536679 /nfs/dbraw/zinc/53/66/79/1028536679.db2.gz UUHAKAULMRUSDG-JTQLQIEISA-N -1 0 312.394 3.702 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2ocnc2C2CC2)n1 ZINC000565684252 1028620657 /nfs/dbraw/zinc/62/06/57/1028620657.db2.gz OAQUVZJFMGWJDS-JTQLQIEISA-N -1 0 301.371 3.622 20 30 DHEDRM [O-]/N=C/c1cc(NCOc2ccccc2)cc(C(F)(F)F)c1 ZINC001170809900 1028705141 /nfs/dbraw/zinc/70/51/41/1028705141.db2.gz XARSJSABTAXSOS-AWQFTUOYSA-N -1 0 310.275 3.962 20 30 DHEDRM O=C(CCCC1CCCC1)[N-]S(=O)(=O)Cc1ccccc1 ZINC000076766100 1028713722 /nfs/dbraw/zinc/71/37/22/1028713722.db2.gz UPMCZCUAYQADNO-UHFFFAOYSA-N -1 0 309.431 3.833 20 30 DHEDRM CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000076766317 1028713839 /nfs/dbraw/zinc/71/38/39/1028713839.db2.gz DHXVDHPAVSEPMW-ZDUSSCGKSA-N -1 0 322.430 3.810 20 30 DHEDRM Cc1noc(C(C)C)c1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000041541229 1028747472 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N#CC(=C([O-])c1conc1C1CC1)c1nc2ccccc2s1 ZINC000558548430 1030634931 /nfs/dbraw/zinc/63/49/31/1030634931.db2.gz NABAIDMTGMOOPV-JTQLQIEISA-N -1 0 309.350 3.652 20 30 DHEDRM O=C(/C=C/c1cn2cc(Cl)ccc2n1)c1cc(F)ccc1[O-] ZINC000757467925 1031108186 /nfs/dbraw/zinc/10/81/86/1031108186.db2.gz OTGNZZDKYBEFSK-HWKANZROSA-N -1 0 316.719 3.729 20 30 DHEDRM Cc1ccc(C(=O)/C=C\c2c(Cl)nc3sccn23)c([O-])c1 ZINC000757477058 1031208003 /nfs/dbraw/zinc/20/80/03/1031208003.db2.gz YPCYTYZGLBFJOT-PLNGDYQASA-N -1 0 318.785 3.959 20 30 DHEDRM N#Cc1c(=O)[n-]cc2c1CCC(=Cc1cccc(C3CC3)c1)C2=O ZINC000844554546 1031211317 /nfs/dbraw/zinc/21/13/17/1031211317.db2.gz QAJPJQRJCDVVLV-OQLLNIDSSA-N -1 0 316.360 3.749 20 30 DHEDRM O=C(/C=C\c1cnc2ccc(Cl)cn12)c1ccc(F)cc1[O-] ZINC000757476411 1031229779 /nfs/dbraw/zinc/22/97/79/1031229779.db2.gz RATTYLBGNJZDRL-HYXAFXHYSA-N -1 0 316.719 3.729 20 30 DHEDRM CC(=NNc1cccc(C(=O)[O-])c1C)c1cnn(C(C)C)c1C ZINC000844623059 1031258204 /nfs/dbraw/zinc/25/82/04/1031258204.db2.gz JUMLNJHLPFSCIK-UHFFFAOYSA-N -1 0 314.389 3.615 20 30 DHEDRM C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000871656519 1031258238 /nfs/dbraw/zinc/25/82/38/1031258238.db2.gz MKJCIYCKTVFOCN-HDJSIYSDSA-N -1 0 316.401 3.523 20 30 DHEDRM CC(C)(C)OCc1ccccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000928389608 1031300745 /nfs/dbraw/zinc/30/07/45/1031300745.db2.gz XTEQLMMPSUTPNW-UHFFFAOYSA-N -1 0 324.380 3.831 20 30 DHEDRM Cc1cccc2sc(N=NC3CCC(C(=O)[O-])CC3)nc21 ZINC000872419277 1031606056 /nfs/dbraw/zinc/60/60/56/1031606056.db2.gz CKJUIPVCNZULRV-UHFFFAOYSA-N -1 0 303.387 3.647 20 30 DHEDRM CC1(C)C[C@@H]1C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845835442 1031733625 /nfs/dbraw/zinc/73/36/25/1031733625.db2.gz AFUBEGASMWOXGU-VXGBXAGGSA-N -1 0 301.411 3.565 20 30 DHEDRM CC[C@@H]1C[C@H]1C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845832360 1031734802 /nfs/dbraw/zinc/73/48/02/1031734802.db2.gz CEDJBZUAJUOAFT-RAIGVLPGSA-N -1 0 301.411 3.565 20 30 DHEDRM N#CC(C(=O)[C@H]1C[C@@H]1C1CC1)=C([O-])c1cc2c(s1)CCCC2 ZINC000845833454 1031735132 /nfs/dbraw/zinc/73/51/32/1031735132.db2.gz LMBKZPMERJQHEM-HZSPNIEDSA-N -1 0 313.422 3.565 20 30 DHEDRM CC1(C)C[C@H]1C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845835440 1031735261 /nfs/dbraw/zinc/73/52/61/1031735261.db2.gz AFUBEGASMWOXGU-RYUDHWBXSA-N -1 0 301.411 3.565 20 30 DHEDRM N#CC(C(=O)CC1CCC1)=C([O-])c1cc2c(s1)CCCC2 ZINC000845839593 1031736637 /nfs/dbraw/zinc/73/66/37/1031736637.db2.gz YOOYHSPXFAYBDY-CYBMUJFWSA-N -1 0 301.411 3.709 20 30 DHEDRM CS[C@H](C)CC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845837787 1031737111 /nfs/dbraw/zinc/73/71/11/1031737111.db2.gz PJURBDHDSMXFCW-ZYHUDNBSSA-N -1 0 321.467 3.660 20 30 DHEDRM C#CCCCCC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845836182 1031737444 /nfs/dbraw/zinc/73/74/44/1031737444.db2.gz HJYKCRJETBTVDF-CQSZACIVSA-N -1 0 313.422 3.712 20 30 DHEDRM Cc1cc(C(C#N)=C([O-])c2sccc2C(F)F)nc(C)n1 ZINC000873496763 1031847694 /nfs/dbraw/zinc/84/76/94/1031847694.db2.gz CIHXFZCOGPZUOZ-JTQLQIEISA-N -1 0 307.325 3.583 20 30 DHEDRM CCn1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1C ZINC000873509023 1031852280 /nfs/dbraw/zinc/85/22/80/1031852280.db2.gz NLGPINLDNRDFGE-CYBMUJFWSA-N -1 0 301.415 3.886 20 30 DHEDRM COc1csc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000361529099 1031972253 /nfs/dbraw/zinc/97/22/53/1031972253.db2.gz CSAYFCLBAPDQBS-CQSZACIVSA-N -1 0 308.362 3.795 20 30 DHEDRM Cc1nc(C)c(C([O-])=C(C#N)c2nccc3ccccc32)s1 ZINC000361539710 1031977215 /nfs/dbraw/zinc/97/72/15/1031977215.db2.gz GTPQDALNJWTSBD-CQSZACIVSA-N -1 0 307.378 3.798 20 30 DHEDRM CC(C)(C)c1[n-]n(CCSC(F)(F)F)c(=O)c1CCC#N ZINC000877879239 1033498268 /nfs/dbraw/zinc/49/82/68/1033498268.db2.gz UOOFIBBXEGMKLF-UHFFFAOYSA-N -1 0 321.368 3.595 20 30 DHEDRM O=C(/C=C\c1cc([N+](=O)[O-])ccc1Cl)c1ccc(O)cc1[O-] ZINC000210014057 1034007844 /nfs/dbraw/zinc/00/78/44/1034007844.db2.gz MLHPMTSMEDPUNR-BHQIHCQQSA-N -1 0 319.700 3.556 20 30 DHEDRM CCCCCCCC[C@H](C)C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1 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308.293 3.755 20 30 DHEDRM C=C[C@](C)(CCOC)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000188673317 1034744137 /nfs/dbraw/zinc/74/41/37/1034744137.db2.gz PXMHOECWLXUKGW-CQSZACIVSA-N -1 0 318.200 3.866 20 30 DHEDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000042243049 1034766936 /nfs/dbraw/zinc/76/69/36/1034766936.db2.gz SLMDXUFZHFIIHN-LLVKDONJSA-N -1 0 309.412 3.587 20 30 DHEDRM N#Cc1c(Nc2ccc(C(=O)[O-])c(F)c2)sc2c1CCC2 ZINC001175154811 1034818291 /nfs/dbraw/zinc/81/82/91/1034818291.db2.gz TWIYGQRUETWZLQ-UHFFFAOYSA-N -1 0 302.330 3.689 20 30 DHEDRM N#Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2)c(F)c1Cl ZINC001175161643 1034842789 /nfs/dbraw/zinc/84/27/89/1034842789.db2.gz YUGUNFRSZMNQDW-UHFFFAOYSA-N -1 0 308.671 3.932 20 30 DHEDRM CC(C)(C)c1noc(Nc2ccc(C(=O)[O-])c(Cl)c2)c1C#N ZINC001175317477 1034930992 /nfs/dbraw/zinc/93/09/92/1034930992.db2.gz YWBFAJQFZNKADA-UHFFFAOYSA-N -1 0 319.748 3.939 20 30 DHEDRM N#Cc1cc(F)cc(F)c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175322036 1034933804 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312.410 3.800 20 30 DHEDRM CCC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccc(O)cc1 ZINC000916592561 1037801931 /nfs/dbraw/zinc/80/19/31/1037801931.db2.gz OBQGXPARNAPKLE-UHFFFAOYSA-N -1 0 318.760 3.970 20 30 DHEDRM CSc1ccc(NC(=O)Nc2cc(C#N)c(F)cc2[O-])cc1 ZINC001188110893 1037817740 /nfs/dbraw/zinc/81/77/40/1037817740.db2.gz PNAQNPAVHJQYGY-UHFFFAOYSA-N -1 0 317.345 3.769 20 30 DHEDRM COc1ccc(NC(=O)Nc2cc(C#N)ccc2[O-])cc1Cl ZINC001188472994 1037907901 /nfs/dbraw/zinc/90/79/01/1037907901.db2.gz RCZFMGQSBCGBQR-UHFFFAOYSA-N -1 0 317.732 3.570 20 30 DHEDRM CCCCCCCCCCS(=O)(=O)[N-]c1nc(C)co1 ZINC001201833949 1037915570 /nfs/dbraw/zinc/91/55/70/1037915570.db2.gz GTWSNUCJENQTSP-UHFFFAOYSA-N -1 0 302.440 3.865 20 30 DHEDRM CCc1cccc(C)c1NC(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001189981635 1038244671 /nfs/dbraw/zinc/24/46/71/1038244671.db2.gz HPFAVJFSJNPDCX-UHFFFAOYSA-N -1 0 313.332 3.918 20 30 DHEDRM Cc1csc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1C#N ZINC001190460819 1038324862 /nfs/dbraw/zinc/32/48/62/1038324862.db2.gz 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Oc1ccc(Br)cc1/C=N/[C@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000155082936 1013198114 /nfs/dbraw/zinc/19/81/14/1013198114.db2.gz FYXMIXMPLYOBNX-HWTYCEDESA-N -1 0 324.218 3.531 20 30 DHEDRM Oc1ccc(Br)cc1/C=N/[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000155082635 1013199137 /nfs/dbraw/zinc/19/91/37/1013199137.db2.gz FYXMIXMPLYOBNX-XFTUUPOZSA-N -1 0 324.218 3.531 20 30 DHEDRM Cc1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)ccc1C(=O)[O-] ZINC001574337847 960913923 /nfs/dbraw/zinc/91/39/23/960913923.db2.gz LXJSLJARLVSMDL-OAHLLOKOSA-N -1 0 322.364 3.719 20 30 DHEDRM COc1cc2c(cc1/C=C\C(=O)c1ccc(O)c(C)c1)O[C@@H](C)C2 ZINC000728230707 1013254150 /nfs/dbraw/zinc/25/41/50/1013254150.db2.gz FUVLKKCJQJVQHX-VGVVRCBHSA-N -1 0 324.376 3.929 20 30 DHEDRM COc1cc2c(cc1/C=C/C(=O)c1ccc(O)c(C)c1)O[C@H](C)C2 ZINC000728230708 1013254469 /nfs/dbraw/zinc/25/44/69/1013254469.db2.gz FUVLKKCJQJVQHX-VUDGCMKMSA-N -1 0 324.376 3.929 20 30 DHEDRM C=CCN(CCc1ccccc1)C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001573328517 962810425 /nfs/dbraw/zinc/81/04/25/962810425.db2.gz JECLYTPKVZXPDE-UHFFFAOYSA-N -1 0 323.392 3.564 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N(Cc1ccc(C)cc1C)CC(C)C ZINC001573332215 962828074 /nfs/dbraw/zinc/82/80/74/962828074.db2.gz KQZOFBFTVPCGTH-UHFFFAOYSA-N -1 0 317.429 3.709 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC001573332607 962837368 /nfs/dbraw/zinc/83/73/68/962837368.db2.gz PKEVWGSZNPIMRR-KRWDZBQOSA-N -1 0 313.397 3.551 20 30 DHEDRM C=CC1(CC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)CCCCC1 ZINC001573350976 962975255 /nfs/dbraw/zinc/97/52/55/962975255.db2.gz OFRPCAVUGKGKLE-UHFFFAOYSA-N -1 0 315.413 3.870 20 30 DHEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001573353083 962995657 /nfs/dbraw/zinc/99/56/57/962995657.db2.gz OWALNHSLEOQBFM-DOMZBBRYSA-N -1 0 302.374 3.641 20 30 DHEDRM C=CCCC(C)(C)CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001573353461 963002260 /nfs/dbraw/zinc/00/22/60/963002260.db2.gz WATALPKDYUCXFR-UHFFFAOYSA-N -1 0 308.353 3.638 20 30 DHEDRM C=CCC1(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])CCCC1 ZINC001573353591 963004905 /nfs/dbraw/zinc/00/49/05/963004905.db2.gz ZPTLKLQHEKELBQ-OAHLLOKOSA-N -1 0 307.434 3.520 20 30 DHEDRM C=CCCC[C@@H](NC(=O)/C=C(\C)c1cccc(Cl)c1)C(=O)[O-] ZINC001573356459 963008075 /nfs/dbraw/zinc/00/80/75/963008075.db2.gz BUVNRCSZUGYJAL-HBIYDYFMSA-N -1 0 321.804 3.669 20 30 DHEDRM C=CCC[C@@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001573357733 963020301 /nfs/dbraw/zinc/02/03/01/963020301.db2.gz RNECKNQBRGSKBD-GOSISDBHSA-N -1 0 323.392 3.751 20 30 DHEDRM C#CCCCCCCOc1ccc(/C=C/C(=O)[O-])cc1OC ZINC001588441267 964049802 /nfs/dbraw/zinc/04/98/02/964049802.db2.gz CJLZHTQUYHIIBS-ZRDIBKRKSA-N -1 0 302.370 3.756 20 30 DHEDRM O=C(/C=C\c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(O)cc1[O-] ZINC000255072515 1013625754 /nfs/dbraw/zinc/62/57/54/1013625754.db2.gz PUONUCFHJPLJHT-BHQIHCQQSA-N -1 0 319.700 3.556 20 30 DHEDRM CCCSCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000120985115 1013660005 /nfs/dbraw/zinc/66/00/05/1013660005.db2.gz PRENYOMBYSFEAJ-CYBMUJFWSA-N -1 0 314.410 3.511 20 30 DHEDRM CC(C)[C@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1cccnc1 ZINC000255132079 1013851178 /nfs/dbraw/zinc/85/11/78/1013851178.db2.gz IUXRBYBKXBCVLZ-WSLMLHKMSA-N -1 0 313.357 3.554 20 30 DHEDRM CC(=O)c1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)o1 ZINC000683689180 1013856144 /nfs/dbraw/zinc/85/61/44/1013856144.db2.gz PVVWZBJJNSHLQK-ZDUSSCGKSA-N -1 0 304.305 3.520 20 30 DHEDRM N#CC(=C([O-])c1coc(C2CCC2)n1)c1ccc2ccccc2n1 ZINC000683689611 1013857750 /nfs/dbraw/zinc/85/77/50/1013857750.db2.gz YZVCADPHLDYMGV-CQSZACIVSA-N -1 0 317.348 3.980 20 30 DHEDRM COc1ccc(C)cc1C(=O)/C=C\c1ccc([N+](=O)[O-])c([O-])c1 ZINC000748148719 1014034974 /nfs/dbraw/zinc/03/49/74/1014034974.db2.gz WXLOXECYSUKRLN-ALCCZGGFSA-N -1 0 313.309 3.514 20 30 DHEDRM COC(=O)c1sc(Nc2cccc([S-])c2)c(C#N)c1C ZINC001210945937 1014093473 /nfs/dbraw/zinc/09/34/73/1014093473.db2.gz ZLECELQIUBVCJB-UHFFFAOYSA-N -1 0 304.396 3.747 20 30 DHEDRM N#Cc1c(Br)cccc1Nc1ccccc1C(=O)[O-] ZINC001210967531 1014097832 /nfs/dbraw/zinc/09/78/32/1014097832.db2.gz HRFUQNYOYXVTKM-UHFFFAOYSA-N -1 0 317.142 3.763 20 30 DHEDRM C=CCN(CC1CCCCC1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000478818787 974207641 /nfs/dbraw/zinc/20/76/41/974207641.db2.gz FMXJGJQVRRWWCY-UHFFFAOYSA-N -1 0 319.376 3.732 20 30 DHEDRM N#CC1(c2ccc(-c3cc(C(=O)[O-])ccc3CO)s2)CCC1 ZINC000594874491 974991561 /nfs/dbraw/zinc/99/15/61/974991561.db2.gz SWKMRNHYSKOPIN-UHFFFAOYSA-N -1 0 313.378 3.551 20 30 DHEDRM O=C([O-])c1csc(/C=C\C(=O)c2nc3ccccc3s2)c1 ZINC000782199445 1014324999 /nfs/dbraw/zinc/32/49/99/1014324999.db2.gz DNXPDFMJMIJRGQ-WAYWQWQTSA-N -1 0 315.375 3.952 20 30 DHEDRM CN(C)c1cc(F)ccc1C(=O)/C=C\c1cc(C(=O)[O-])cs1 ZINC000782207683 1014414331 /nfs/dbraw/zinc/41/43/31/1014414331.db2.gz QQOBQHMJZSAZNB-XQRVVYSFSA-N -1 0 319.357 3.548 20 30 DHEDRM Cc1ccc2cc(C(C)N=Nc3ccc(C(=O)[O-])cn3)oc2c1 ZINC000754960325 978696661 /nfs/dbraw/zinc/69/66/61/978696661.db2.gz DQRQEWFAMKYGRF-UHFFFAOYSA-N -1 0 309.325 3.671 20 30 DHEDRM Cc1cccc(-c2n[nH]cc2C=NNc2ccccc2C(=O)[O-])c1 ZINC000755602587 978696681 /nfs/dbraw/zinc/69/66/81/978696681.db2.gz WLDDQQZJDYKQJH-UHFFFAOYSA-N -1 0 320.352 3.529 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1N=NC[C@@H]1C[C@H]1c1ccccc1 ZINC000756901294 978701629 /nfs/dbraw/zinc/70/16/29/978701629.db2.gz NTRAYRHLFFUSCM-GJZGRUSLSA-N -1 0 310.353 3.595 20 30 DHEDRM O=C([O-])c1ccc(N=NC2CC(c3cccc(Cl)c3)C2)nc1 ZINC000763377415 978723260 /nfs/dbraw/zinc/72/32/60/978723260.db2.gz NWUCMZHOXQVCNI-UHFFFAOYSA-N -1 0 315.760 3.779 20 30 DHEDRM CC(C)(C)c1cc(NC(=O)CC(C)(C)CC(=O)[O-])c(C#N)s1 ZINC000833455404 979188042 /nfs/dbraw/zinc/18/80/42/979188042.db2.gz CCKPZJOIUZDTIY-UHFFFAOYSA-N -1 0 322.430 3.747 20 30 DHEDRM CCOc1cccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000759088581 1014565197 /nfs/dbraw/zinc/56/51/97/1014565197.db2.gz BTVRXJZLRJUDPG-VURMDHGXSA-N -1 0 313.309 3.595 20 30 DHEDRM CC(=NNc1ccc(CC(=O)[O-])cc1)c1cc(C)sc1C ZINC000848414644 979466773 /nfs/dbraw/zinc/46/67/73/979466773.db2.gz AWJVGYFETFUJAQ-UHFFFAOYSA-N -1 0 302.399 3.828 20 30 DHEDRM C[C@H]1C(N=Nc2ccc(CC(=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC000848414765 979467150 /nfs/dbraw/zinc/46/71/50/979467150.db2.gz CQDVAZPTRNVLGK-DYVFJYSZSA-N -1 0 308.381 3.905 20 30 DHEDRM CCCCCCCC[C@@H](C)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000851623948 979560224 /nfs/dbraw/zinc/56/02/24/979560224.db2.gz QRYXUUZQZZDHTD-OAGGEKHMSA-N -1 0 311.466 3.942 20 30 DHEDRM O=C([O-])c1ccc(N=NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)nc1 ZINC000853325580 979605704 /nfs/dbraw/zinc/60/57/04/979605704.db2.gz JBMPAWVDGLQOMN-MWLCHTKSSA-N -1 0 315.295 3.546 20 30 DHEDRM C[C@@H](Cc1ccc(Nc2snc(Cl)c2C#N)cc1)C(=O)[O-] ZINC001592881897 979750145 /nfs/dbraw/zinc/75/01/45/979750145.db2.gz BLQJISJTQHQYTO-QMMMGPOBSA-N -1 0 321.789 3.675 20 30 DHEDRM CCCC[C@H](SCCCOc1ccc(C#N)cc1)C(=O)[O-] ZINC001595655436 982045499 /nfs/dbraw/zinc/04/54/99/982045499.db2.gz LKKBJWRMERVSFC-HNNXBMFYSA-N -1 0 307.415 3.704 20 30 DHEDRM C=CCCC[C@@H](NC(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000910915505 982162577 /nfs/dbraw/zinc/16/25/77/982162577.db2.gz NNHNNUHCYDQEAM-LLVKDONJSA-N -1 0 316.184 3.533 20 30 DHEDRM C#C[C@H](Nc1ncc(C(=O)[O-])cc1C(F)(F)F)c1ccccc1 ZINC001588376248 983350990 /nfs/dbraw/zinc/35/09/90/983350990.db2.gz RJDWRCPBCFNMSM-ZDUSSCGKSA-N -1 0 320.270 3.585 20 30 DHEDRM C#C[C@@H](NCc1ccc(C(=O)[O-])c(C)c1)c1ccc(Cl)cc1 ZINC001588377554 983357277 /nfs/dbraw/zinc/35/72/77/983357277.db2.gz MXYIBCHGVLQRAI-QGZVFWFLSA-N -1 0 313.784 3.811 20 30 DHEDRM C#CC[C@H](Cc1ccccc1)Nc1nc(Cl)c(C(=O)[O-])s1 ZINC001588393666 983399376 /nfs/dbraw/zinc/39/93/76/983399376.db2.gz DZRRZTJHNGTKMO-LLVKDONJSA-N -1 0 320.801 3.541 20 30 DHEDRM C#Cc1ccc(N[C@@H](C)c2ncc(C(=O)[O-])s2)c(Cl)c1 ZINC001588517933 983566831 /nfs/dbraw/zinc/56/68/31/983566831.db2.gz JVLLVKQHYAOLDZ-QMMMGPOBSA-N -1 0 306.774 3.649 20 30 DHEDRM C=C(C)CN(CC)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001588563153 983644249 /nfs/dbraw/zinc/64/42/49/983644249.db2.gz NBNNVALPSGXVPW-UHFFFAOYSA-N -1 0 314.744 3.607 20 30 DHEDRM C=C(C)Cc1cccc(C(=O)[O-])c1OCc1oc(CC)nc1C ZINC001588577388 983656164 /nfs/dbraw/zinc/65/61/64/983656164.db2.gz UUUZLWPEMCAUGB-UHFFFAOYSA-N -1 0 315.369 3.941 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)Nc1c(C)cc(C(F)(F)F)cc1C ZINC001588630531 983744255 /nfs/dbraw/zinc/74/42/55/983744255.db2.gz PSOMKOQFGVNXOO-UHFFFAOYSA-N -1 0 315.291 3.682 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC001588634338 983753103 /nfs/dbraw/zinc/75/31/03/983753103.db2.gz UPBTTXQRBOOGCD-UHFFFAOYSA-N -1 0 307.349 3.617 20 30 DHEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001588644121 983768439 /nfs/dbraw/zinc/76/84/39/983768439.db2.gz CNUMBMDOIBJXMR-TXEJJXNPSA-N -1 0 320.414 3.778 20 30 DHEDRM C=C1CCC(CNC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC1 ZINC001588649794 983770679 /nfs/dbraw/zinc/77/06/79/983770679.db2.gz DHIOKLDDLKOSJH-UHFFFAOYSA-N -1 0 324.327 3.531 20 30 DHEDRM C=CC(C)(C)CC(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001588673265 983829449 /nfs/dbraw/zinc/82/94/49/983829449.db2.gz OEPKCPQZZZFPEZ-QGZVFWFLSA-N -1 0 323.820 3.748 20 30 DHEDRM C=CC(C)(C)CCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001588676891 983832265 /nfs/dbraw/zinc/83/22/65/983832265.db2.gz IFKDCEKPMQBJTL-UHFFFAOYSA-N -1 0 308.353 3.556 20 30 DHEDRM C=C[C@@H](Nc1ccc(Oc2ccc(Cl)cn2)cc1)C(=O)[O-] ZINC001588702184 983918866 /nfs/dbraw/zinc/91/88/66/983918866.db2.gz LVSNOMMNHTVECG-CYBMUJFWSA-N -1 0 304.733 3.578 20 30 DHEDRM C=CC1(CC(=O)N[C@H](C(=O)[O-])c2cccs2)CCCCC1 ZINC001588715325 983955027 /nfs/dbraw/zinc/95/50/27/983955027.db2.gz VUOOXEYPPUWRAV-AWEZNQCLSA-N -1 0 307.415 3.517 20 30 DHEDRM C=C[C@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001588719833 983962583 /nfs/dbraw/zinc/96/25/83/983962583.db2.gz YOPQKBMUHDZZMG-NSHDSACASA-N -1 0 308.765 3.611 20 30 DHEDRM C=CCC(F)(F)C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001588742382 984031848 /nfs/dbraw/zinc/03/18/48/984031848.db2.gz BOCGRHFEGONBLD-ZDUSSCGKSA-N -1 0 310.296 3.517 20 30 DHEDRM C=CCC1(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)CCCC1 ZINC001588763193 984118731 /nfs/dbraw/zinc/11/87/31/984118731.db2.gz QABBNGOOTBDWNS-HNNXBMFYSA-N -1 0 307.434 3.520 20 30 DHEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001588770544 984134497 /nfs/dbraw/zinc/13/44/97/984134497.db2.gz ARYBUNKPPRFEJV-RISCZKNCSA-N -1 0 320.364 3.780 20 30 DHEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001588770542 984134618 /nfs/dbraw/zinc/13/46/18/984134618.db2.gz ARYBUNKPPRFEJV-FZMZJTMJSA-N -1 0 320.364 3.780 20 30 DHEDRM C=CC[C@H]1CCN1[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001588772221 984141846 /nfs/dbraw/zinc/14/18/46/984141846.db2.gz ASVVHEVWMPRGBN-GWCFXTLKSA-N -1 0 300.185 3.770 20 30 DHEDRM C=CCCC(C)(C)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001588777529 984156414 /nfs/dbraw/zinc/15/64/14/984156414.db2.gz CKMTUIKHYDLIFO-UHFFFAOYSA-N -1 0 306.362 3.626 20 30 DHEDRM C=CCCC1(CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)CCCC1 ZINC001588779116 984164568 /nfs/dbraw/zinc/16/45/68/984164568.db2.gz SZYRLBQVDWCGPA-UHFFFAOYSA-N -1 0 319.445 3.664 20 30 DHEDRM C=CCCC[C@@H](NC(=O)/C(C)=C/c1cccc(Cl)c1)C(=O)[O-] ZINC001588787310 984186131 /nfs/dbraw/zinc/18/61/31/984186131.db2.gz VCVZIILRTLWMRL-HBIYDYFMSA-N -1 0 321.804 3.669 20 30 DHEDRM C=CCCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC001588789298 984197788 /nfs/dbraw/zinc/19/77/88/984197788.db2.gz ASCHSEVFWHDDRA-JJXSEGSLSA-N -1 0 307.434 3.519 20 30 DHEDRM C=CCCC[C@H](NC(=O)c1ccccc1C(C)(C)CC)C(=O)[O-] ZINC001588793552 984220218 /nfs/dbraw/zinc/22/02/18/984220218.db2.gz SLYQRLPOWNAEMU-INIZCTEOSA-N -1 0 317.429 3.914 20 30 DHEDRM C=CCCCCCCNC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001588798614 984237299 /nfs/dbraw/zinc/23/72/99/984237299.db2.gz LWKCPAAEWVKWGP-UHFFFAOYSA-N -1 0 307.434 3.664 20 30 DHEDRM C=CCCCCCCCNC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001588798626 984237608 /nfs/dbraw/zinc/23/76/08/984237608.db2.gz MCOSLDKIRWNDAJ-UHFFFAOYSA-N -1 0 307.365 3.780 20 30 DHEDRM C=CCCCCCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001588799984 984243580 /nfs/dbraw/zinc/24/35/80/984243580.db2.gz UPYNVNCGPNFENR-UHFFFAOYSA-N -1 0 312.316 3.531 20 30 DHEDRM C=CCN(C(=O)Nc1ccc(SC)c(C(=O)[O-])c1)C(C)C ZINC001588820477 984284064 /nfs/dbraw/zinc/28/40/64/984284064.db2.gz FIMFTYWGVOGRSC-UHFFFAOYSA-N -1 0 308.403 3.535 20 30 DHEDRM C=CCOc1ccccc1CNc1cnc(C(=O)[O-])c(Cl)c1 ZINC001588877507 984453993 /nfs/dbraw/zinc/45/39/93/984453993.db2.gz VPAKBIIRYYGKLL-UHFFFAOYSA-N -1 0 318.760 3.610 20 30 DHEDRM CCOc1ccc(C=Nc2cccc(C(=O)[O-])c2Cl)c(O)c1 ZINC001597082363 986635653 /nfs/dbraw/zinc/63/56/53/986635653.db2.gz KJSCJUSWPMFIBS-UHFFFAOYSA-N -1 0 319.744 3.893 20 30 DHEDRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Nc2ccc(CC#N)cc2)c1 ZINC001589534254 987229841 /nfs/dbraw/zinc/22/98/41/987229841.db2.gz WZCRSCVASBPCBD-GFCCVEGCSA-N -1 0 323.352 3.585 20 30 DHEDRM CC(C)(C)c1ncc(C=NNc2cccc(F)c2C(=O)[O-])s1 ZINC001590556402 990197121 /nfs/dbraw/zinc/19/71/21/990197121.db2.gz SEEQEOXRDHXRPI-UHFFFAOYSA-N -1 0 321.377 3.724 20 30 DHEDRM CCc1ncc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)s1 ZINC000581920971 1015551667 /nfs/dbraw/zinc/55/16/67/1015551667.db2.gz RZJIIZYOALJPFH-VIFPVBQESA-N -1 0 319.455 3.950 20 30 DHEDRM CC1(C)CCC(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)CC1 ZINC000329122981 1015644194 /nfs/dbraw/zinc/64/41/94/1015644194.db2.gz WZOPSRPIBMVAST-UHFFFAOYSA-N -1 0 314.389 3.982 20 30 DHEDRM CN(Cc1ccc(C(=O)[O-])cc1)c1nc(C(C)(C)C)ccc1C#N ZINC001598513739 992594644 /nfs/dbraw/zinc/59/46/44/992594644.db2.gz WSDVTWIJGAPJLA-UHFFFAOYSA-N -1 0 323.396 3.585 20 30 DHEDRM COc1ccc(O)c(C=Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC001599598408 993780026 /nfs/dbraw/zinc/78/00/26/993780026.db2.gz LRKSAVVMEROAGL-UHFFFAOYSA-N -1 0 305.717 3.503 20 30 DHEDRM C[C@@H](S[C@@H](C)c1ccc(C#N)cc1)c1nc(C(=O)[O-])co1 ZINC001593659178 996034696 /nfs/dbraw/zinc/03/46/96/996034696.db2.gz RIRWLDQVJRGWLT-VHSXEESVSA-N -1 0 302.355 3.800 20 30 DHEDRM C[C@H](SCc1cc(Cl)cc(C#N)c1)c1nc(C(=O)[O-])co1 ZINC001593661967 996040738 /nfs/dbraw/zinc/04/07/38/996040738.db2.gz UGWJIVFLESXQCM-QMMMGPOBSA-N -1 0 322.773 3.892 20 30 DHEDRM CC1(C)c2ccccc2CCN1Cc1cccc(C(=O)[O-])c1C#N ZINC001593987800 997233946 /nfs/dbraw/zinc/23/39/46/997233946.db2.gz CAPWQULFQPPCCA-UHFFFAOYSA-N -1 0 320.392 3.550 20 30 DHEDRM COc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])co2)c(Cl)c1 ZINC001599543405 997882258 /nfs/dbraw/zinc/88/22/58/997882258.db2.gz HDHYQNIDIGDFRG-HYXAFXHYSA-N -1 0 306.701 3.536 20 30 DHEDRM COc1ccc(C=NNc2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC001599543993 997892353 /nfs/dbraw/zinc/89/23/53/997892353.db2.gz LIILPFIXBWTHEN-UHFFFAOYSA-N -1 0 310.762 3.554 20 30 DHEDRM O=C([O-])c1ccc(C(=O)/C=C/c2scnc2C2CC2)s1 ZINC000782322982 1016285363 /nfs/dbraw/zinc/28/53/63/1016285363.db2.gz JTQPHVSHBLTTJD-ONEGZZNKSA-N -1 0 305.380 3.676 20 30 DHEDRM O=C(C=Cc1csc(-c2ccccn2)n1)c1sccc1[O-] ZINC000588495746 1016308481 /nfs/dbraw/zinc/30/84/81/1016308481.db2.gz JUYNVEDWIUMQRZ-PLNGDYQASA-N -1 0 314.391 3.868 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])C=Cc2ccc(Cl)cc2)n1 ZINC000255506952 1016699807 /nfs/dbraw/zinc/69/98/07/1016699807.db2.gz GOWRIKIUEOLFDC-LLPBQKLSSA-N -1 0 302.786 3.995 20 30 DHEDRM Cc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)ccn1 ZINC000671278979 1016764844 /nfs/dbraw/zinc/76/48/44/1016764844.db2.gz SBYSAXQPWVFCFC-LBPRGKRZSA-N -1 0 311.341 3.629 20 30 DHEDRM Cc1cc(Nc2cccc(C#CC(C)(C)O)c2)cc(C(=O)[O-])c1 ZINC001211547155 1016844038 /nfs/dbraw/zinc/84/40/38/1016844038.db2.gz IFZKPFIIQRGNFY-UHFFFAOYSA-N -1 0 309.365 3.559 20 30 DHEDRM N#Cc1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)s1 ZINC000361951029 1032171230 /nfs/dbraw/zinc/17/12/30/1032171230.db2.gz HAKWCWUREKQODY-JXMROGBWSA-N -1 0 310.334 3.776 20 30 DHEDRM C[C@H]1CCC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000080252442 1032295716 /nfs/dbraw/zinc/29/57/16/1032295716.db2.gz JDDHXUBKUVSICB-NWDGAFQWSA-N -1 0 313.394 3.687 20 30 DHEDRM CC(=NNc1ccccc1C(F)(F)F)c1ccc(C(=O)[O-])o1 ZINC000772991632 1032393827 /nfs/dbraw/zinc/39/38/27/1032393827.db2.gz WQXRBXJOZWRHFQ-UHFFFAOYSA-N -1 0 312.247 3.833 20 30 DHEDRM Cc1ccc2oc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cc2n1 ZINC000179585326 1017269819 /nfs/dbraw/zinc/26/98/19/1017269819.db2.gz AYSQWSMRZSLDJY-LLVKDONJSA-N -1 0 316.320 3.503 20 30 DHEDRM N#CC(=C([O-])c1ccc(C#N)s1)c1ccc2ccccc2n1 ZINC000674299154 1017944709 /nfs/dbraw/zinc/94/47/09/1017944709.db2.gz DTHCHAWSMMDUJA-ZDUSSCGKSA-N -1 0 303.346 3.658 20 30 DHEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(C)oc2C)c1 ZINC000182793962 1017955551 /nfs/dbraw/zinc/95/55/51/1017955551.db2.gz CHALKCZCHGMVJA-UHFFFAOYSA-N -1 0 321.398 3.652 20 30 DHEDRM CC(C)c1ccc(C#N)c(-c2ccc(F)c(C(=O)[O-])c2F)n1 ZINC001205055018 1018002958 /nfs/dbraw/zinc/00/29/58/1018002958.db2.gz PQOOSXPXPXCZIG-UHFFFAOYSA-N -1 0 302.280 3.720 20 30 DHEDRM CCCc1nc(C)c(C[NH2+][C@@H](CC)c2cccc(C#N)c2[O-])o1 ZINC000926476973 1018309042 /nfs/dbraw/zinc/30/90/42/1018309042.db2.gz RHMJJCHUSRDUMA-HNNXBMFYSA-N -1 0 313.401 3.754 20 30 DHEDRM CC(=O)c1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)o1 ZINC000447611388 1018439456 /nfs/dbraw/zinc/43/94/56/1018439456.db2.gz XXNLJJSTLNDBCX-SNVBAGLBSA-N -1 0 302.355 3.552 20 30 DHEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ocnc2C2CC2)s1 ZINC000685174356 1018611216 /nfs/dbraw/zinc/61/12/16/1018611216.db2.gz FBEGZUSAULHRTL-SNVBAGLBSA-N -1 0 315.398 3.796 20 30 DHEDRM CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000073087469 1018812909 /nfs/dbraw/zinc/81/29/09/1018812909.db2.gz NGYFEDZTTYYVKB-SECBINFHSA-N -1 0 323.336 3.643 20 30 DHEDRM CSc1ccc(NC(=O)C2(C#N)CCCCC2)cc1C(=O)[O-] ZINC000923105442 1019028916 /nfs/dbraw/zinc/02/89/16/1019028916.db2.gz BRIUKGSXDRGPFZ-UHFFFAOYSA-N -1 0 318.398 3.519 20 30 DHEDRM O=C(/C=C\c1c(Cl)nc2sccn12)c1sccc1[O-] ZINC000588598924 1019284715 /nfs/dbraw/zinc/28/47/15/1019284715.db2.gz JZYVWKZYIMPYLF-UPHRSURJSA-N -1 0 310.787 3.712 20 30 DHEDRM O=C(C=Cc1cn2cc(Cl)ccc2n1)c1sccc1[O-] ZINC000588598810 1019286256 /nfs/dbraw/zinc/28/62/56/1019286256.db2.gz FNAANWDFZMBXIN-IHWYPQMZSA-N -1 0 304.758 3.651 20 30 DHEDRM Cc1cc(C(=O)[O-])ccc1Nc1nc(C(F)(F)F)ccc1C#N ZINC001211618714 1019290799 /nfs/dbraw/zinc/29/07/99/1019290799.db2.gz NTCPHIDLPBOOTN-UHFFFAOYSA-N -1 0 321.258 3.722 20 30 DHEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)[C@@H](C)C(C)C)c1C ZINC000073087367 1019309822 /nfs/dbraw/zinc/30/98/22/1019309822.db2.gz PIJQEXANWBMZTL-LBPRGKRZSA-N -1 0 311.447 3.858 20 30 DHEDRM CCOc1cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])ccc1C ZINC000727265773 1019681280 /nfs/dbraw/zinc/68/12/80/1019681280.db2.gz YGQICGIKNUBLBB-UHFFFAOYSA-N -1 0 300.314 3.758 20 30 DHEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2cc(F)c(F)c(F)c2)cc1 ZINC000727974455 1019851364 /nfs/dbraw/zinc/85/13/64/1019851364.db2.gz KORBEWRXGUUHQC-ZZXKWVIFSA-N -1 0 320.266 3.627 20 30 DHEDRM O=C([O-])c1cc(C(=O)/C=C\c2ccccc2OC(F)F)cs1 ZINC000730148438 1019954029 /nfs/dbraw/zinc/95/40/29/1019954029.db2.gz GLNVBPVHJACNNU-WAYWQWQTSA-N -1 0 324.304 3.944 20 30 DHEDRM O=C([O-])c1cc(C(=O)/C=C/c2cnn(-c3ccccc3)c2)cs1 ZINC000730150291 1019954361 /nfs/dbraw/zinc/95/43/61/1019954361.db2.gz QUXQTJQIHSSOMP-VOTSOKGWSA-N -1 0 324.361 3.528 20 30 DHEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1cccc(F)c1F)CC2 ZINC000730729723 1020016299 /nfs/dbraw/zinc/01/62/99/1020016299.db2.gz OBVZIRKALOTZIG-YFHOEESVSA-N -1 0 318.275 3.777 20 30 DHEDRM COc1cc(Cl)ccc1C/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000730732228 1020018640 /nfs/dbraw/zinc/01/86/40/1020018640.db2.gz GTOHKYWGIHXAFY-RQZCQDPDSA-N -1 0 320.732 3.582 20 30 DHEDRM CCc1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)s1 ZINC000731157291 1020074753 /nfs/dbraw/zinc/07/47/53/1020074753.db2.gz VAHSKJBLNVNOIH-MDZDMXLPSA-N -1 0 300.379 3.834 20 30 DHEDRM Cc1cccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)c1C ZINC000731157145 1020075874 /nfs/dbraw/zinc/07/58/74/1020075874.db2.gz SKKCGPSKOUCSEV-KTKRTIGZSA-N -1 0 310.349 3.663 20 30 DHEDRM N#Cc1ccc([O-])c(NC(=O)/C=C\c2ccc(Cl)s2)c1 ZINC000255651478 1020180012 /nfs/dbraw/zinc/18/00/12/1020180012.db2.gz YJILGLPWKAMPAD-UTCJRWHESA-N -1 0 304.758 3.631 20 30 DHEDRM COc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1F ZINC000647371897 1020217918 /nfs/dbraw/zinc/21/79/18/1020217918.db2.gz AANXVJSQPBEPNG-LLVKDONJSA-N -1 0 316.357 3.658 20 30 DHEDRM Cc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1F ZINC000647373759 1020222890 /nfs/dbraw/zinc/22/28/90/1020222890.db2.gz OCPHKIIWJIBUPQ-GFCCVEGCSA-N -1 0 300.358 3.958 20 30 DHEDRM CCc1oc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1C ZINC000647378421 1020249808 /nfs/dbraw/zinc/24/98/08/1020249808.db2.gz XRKRGVOTFBIXQY-NSHDSACASA-N -1 0 300.383 3.974 20 30 DHEDRM N#CC(=C([O-])c1ccccc1OC1CC1)c1nc2ccccc2o1 ZINC000347749087 1020289749 /nfs/dbraw/zinc/28/97/49/1020289749.db2.gz UMSLNXKBYGUBTN-CQSZACIVSA-N -1 0 318.332 3.859 20 30 DHEDRM Cc1ccc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)cc1C ZINC000733205383 1020345540 /nfs/dbraw/zinc/34/55/40/1020345540.db2.gz UBOPMCZXXBZZER-VQHVLOKHSA-N -1 0 310.349 3.663 20 30 DHEDRM CCc1ccc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)s1 ZINC000733206417 1020354059 /nfs/dbraw/zinc/35/40/59/1020354059.db2.gz JASFOOJWYOTGJC-VURMDHGXSA-N -1 0 316.378 3.670 20 30 DHEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cccc(C(F)(F)F)c1 ZINC000073837478 1020391986 /nfs/dbraw/zinc/39/19/86/1020391986.db2.gz NTWCEQQGLYDYRN-UHFFFAOYSA-N -1 0 323.336 3.528 20 30 DHEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1C(C)(C)C ZINC000054736008 1020397900 /nfs/dbraw/zinc/39/79/00/1020397900.db2.gz JJUSZYJEESNIDM-LBPRGKRZSA-N -1 0 322.368 3.578 20 30 DHEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1C(C)(C)C ZINC000054736006 1020398607 /nfs/dbraw/zinc/39/86/07/1020398607.db2.gz JJUSZYJEESNIDM-GFCCVEGCSA-N -1 0 322.368 3.578 20 30 DHEDRM N#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)cc1[O-] ZINC000188513000 1020482983 /nfs/dbraw/zinc/48/29/83/1020482983.db2.gz QXHFYSIQPVEGNN-UHFFFAOYSA-N -1 0 324.233 3.674 20 30 DHEDRM Cc1noc(C(F)F)c1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000673812387 1020501648 /nfs/dbraw/zinc/50/16/48/1020501648.db2.gz XBQRGFXCRYMJDT-QMMMGPOBSA-N -1 0 317.251 3.552 20 30 DHEDRM CC(N=Nc1cc(F)c(F)cc1F)c1ccc(CC(=O)[O-])cc1 ZINC000734302000 1020583784 /nfs/dbraw/zinc/58/37/84/1020583784.db2.gz VLWRAGUIMFWOMO-UHFFFAOYSA-N -1 0 322.286 3.567 20 30 DHEDRM 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3.891 20 30 DHEDRM CC(C)[C@@H](Cc1ccccc1)NN=Cc1ccccc1C(=O)[O-] ZINC000777447816 1034747511 /nfs/dbraw/zinc/74/75/11/1034747511.db2.gz JULHLNFCRRLRQI-GOSISDBHSA-N -1 0 310.397 3.576 20 30 DHEDRM CCOc1ccc(OC)cc1Nc1cc(C#N)c(F)cc1[O-] ZINC001175213955 1034869827 /nfs/dbraw/zinc/86/98/27/1034869827.db2.gz BGZLWLDOGUXGHQ-UHFFFAOYSA-N -1 0 302.305 3.554 20 30 DHEDRM N#Cc1c(Nc2ccc(F)c(C(=O)[O-])c2)sc2c1CCC2 ZINC001175215391 1034871340 /nfs/dbraw/zinc/87/13/40/1034871340.db2.gz LOLBYIHKYGQHMM-UHFFFAOYSA-N -1 0 302.330 3.689 20 30 DHEDRM C#Cc1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)c(Cl)c1 ZINC000899843078 1034919065 /nfs/dbraw/zinc/91/90/65/1034919065.db2.gz NUBNLTRCZHCMOQ-UHFFFAOYSA-N -1 0 319.788 3.685 20 30 DHEDRM N#CCc1cc(Nc2ccc(C(=O)[O-])c(Cl)c2)ccc1F ZINC001175321480 1034934464 /nfs/dbraw/zinc/93/44/64/1034934464.db2.gz SCHFYSOXOHOCQM-UHFFFAOYSA-N -1 0 304.708 3.987 20 30 DHEDRM O=C([O-])c1ccccc1N=NC=CCc1ccc(F)cc1F ZINC000758098004 1035283530 /nfs/dbraw/zinc/28/35/30/1035283530.db2.gz 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C=CC1(CC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)CCCCC1 ZINC000907736920 1036263869 /nfs/dbraw/zinc/26/38/69/1036263869.db2.gz UWSAPFDBHLNKCG-OWCLPIDISA-N -1 0 319.445 3.615 20 30 DHEDRM CCC(=NNc1cnn(C)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000761861162 1036364040 /nfs/dbraw/zinc/36/40/40/1036364040.db2.gz WDQIJXNBAJBBCY-UHFFFAOYSA-N -1 0 313.188 3.659 20 30 DHEDRM CC#CCCCCCCCC(=O)Nc1cc(=O)[n-]c(Cl)n1 ZINC001182766893 1036450973 /nfs/dbraw/zinc/45/09/73/1036450973.db2.gz GAUVVCLCEYQBGV-UHFFFAOYSA-N -1 0 309.797 3.528 20 30 DHEDRM Cc1c(Cl)cccc1NN=Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000915051555 1036587153 /nfs/dbraw/zinc/58/71/53/1036587153.db2.gz ZIJAYDOHGLZQSX-UHFFFAOYSA-N -1 0 305.721 3.708 20 30 DHEDRM C#CCC1(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)CCCCC1 ZINC000909837508 1036707130 /nfs/dbraw/zinc/70/71/30/1036707130.db2.gz WXGNVXOMSKILHR-AWEZNQCLSA-N -1 0 313.397 3.787 20 30 DHEDRM O=C1c2cc(Cl)ccc2C/C1=C\c1ccc([O-])c([N+](=O)[O-])c1 ZINC000762448064 1036767639 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C=CC(C)(C)CC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911733036 1037197524 /nfs/dbraw/zinc/19/75/24/1037197524.db2.gz NKSVNCVZPFVROZ-UHFFFAOYSA-N -1 0 305.374 3.713 20 30 DHEDRM C#Cc1ccc([N-]S(=O)(=O)c2csc3ccccc32)cc1 ZINC001186497734 1037419385 /nfs/dbraw/zinc/41/93/85/1037419385.db2.gz FIPNHZZEHBOEHH-UHFFFAOYSA-N -1 0 313.403 3.683 20 30 DHEDRM C=CCn1c(SCc2c(C)ccc3ccccc32)n[nH]c1=O ZINC000489647247 1037506206 /nfs/dbraw/zinc/50/62/06/1037506206.db2.gz KDGDMSWRIBLIQH-UHFFFAOYSA-N -1 0 311.410 3.924 20 30 DHEDRM CSc1ccc(NC(=S)Nc2cc(C#N)ccc2[O-])cc1 ZINC001201187744 1037561890 /nfs/dbraw/zinc/56/18/90/1037561890.db2.gz NZDOZYUNYFADRD-UHFFFAOYSA-N -1 0 315.423 3.795 20 30 DHEDRM Cc1ccc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)cc1C ZINC000915984523 1037631932 /nfs/dbraw/zinc/63/19/32/1037631932.db2.gz MPNUQCHXZFVVHI-CMDGGOBGSA-N -1 0 310.349 3.663 20 30 DHEDRM CC(=NNc1cccc2ncccc21)c1ccc(CC(=O)[O-])cc1 ZINC000915964017 1037634737 /nfs/dbraw/zinc/63/47/37/1037634737.db2.gz RBEJUSBTEYBCBZ-UHFFFAOYSA-N -1 0 319.364 3.698 20 30 DHEDRM Cc1ccc(C(=O)/C=C\c2ccc(OCCC(=O)[O-])cc2)s1 ZINC000915988539 1037639804 /nfs/dbraw/zinc/63/98/04/1037639804.db2.gz VWWBFKZWUGZJKS-YVMONPNESA-N -1 0 316.378 3.806 20 30 DHEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2ccc3ncccc3c2)cc1 ZINC000915988232 1037639869 /nfs/dbraw/zinc/63/98/69/1037639869.db2.gz SUFYMHOPMOCBAO-UXBLZVDNSA-N -1 0 317.344 3.758 20 30 DHEDRM Cc1ccc(C(=O)/C=C/c2ccc(OCCC(=O)[O-])cc2)s1 ZINC000915988538 1037640272 /nfs/dbraw/zinc/64/02/72/1037640272.db2.gz VWWBFKZWUGZJKS-VMPITWQZSA-N -1 0 316.378 3.806 20 30 DHEDRM COc1cccc(C(C)=NNc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000916260002 1037718836 /nfs/dbraw/zinc/71/88/36/1037718836.db2.gz XMFDMLXPVINPAD-UHFFFAOYSA-N -1 0 318.760 3.883 20 30 DHEDRM O=C([O-])c1ccc(N=NC2CCC(c3ccccc3)CC2)nc1 ZINC000763369055 1037740386 /nfs/dbraw/zinc/74/03/86/1037740386.db2.gz SXRYOVPABPEGMV-UHFFFAOYSA-N -1 0 309.369 3.906 20 30 DHEDRM CCCCCCCCS(=O)(=O)[N-][C@H](CC)C(F)(F)F ZINC001188030042 1037796000 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N#Cc1ccc(N2CCC(c3ccccc3C(=O)[O-])CC2)cc1 ZINC000591327295 1038803664 /nfs/dbraw/zinc/80/36/64/1038803664.db2.gz NVJSCJDYKNIKAH-UHFFFAOYSA-N -1 0 306.365 3.640 20 30 DHEDRM N#CC(=C([O-])c1ccc(C#N)cc1)c1nc2cc(F)ccc2s1 ZINC000592975755 1039314711 /nfs/dbraw/zinc/31/47/11/1039314711.db2.gz OWXHYNKPHDENAW-ZDUSSCGKSA-N -1 0 321.336 3.797 20 30 DHEDRM Cc1noc(C)c1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000592973976 1039316518 /nfs/dbraw/zinc/31/65/18/1039316518.db2.gz LUGOOCVGTNQPPT-SNVBAGLBSA-N -1 0 315.329 3.530 20 30 DHEDRM Cc1ccoc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000592974766 1039316780 /nfs/dbraw/zinc/31/67/80/1039316780.db2.gz ZCYLAHMHMVMMPP-SNVBAGLBSA-N -1 0 300.314 3.827 20 30 DHEDRM Cc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)o1 ZINC000592974692 1039318636 /nfs/dbraw/zinc/31/86/36/1039318636.db2.gz XDWRCAFBGQUUKF-SNVBAGLBSA-N -1 0 300.314 3.827 20 30 DHEDRM N#CC(=C([O-])c1ccc(C#N)cc1)c1nc2ccccc2s1 ZINC000046441571 1039634725 /nfs/dbraw/zinc/63/47/25/1039634725.db2.gz KBXAFQHETHPARS-ZDUSSCGKSA-N -1 0 303.346 3.658 20 30 DHEDRM O=C1c2ccc(O)cc2CC/C1=C\c1ccc(O)c(Cl)c1 ZINC000060364425 1040592812 /nfs/dbraw/zinc/59/28/12/1040592812.db2.gz DRFMKCQNEMLCLK-KPKJPENVSA-N -1 0 300.741 3.964 20 30 DHEDRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000076759040 1040786090 /nfs/dbraw/zinc/78/60/90/1040786090.db2.gz GBWSZDMKQMAHSN-ZDUSSCGKSA-N -1 0 322.430 3.810 20 30 DHEDRM CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000076765446 1040813662 /nfs/dbraw/zinc/81/36/62/1040813662.db2.gz JAOQRIKVVKROEL-SECBINFHSA-N -1 0 323.336 3.787 20 30 DHEDRM C[C@H](C#N)N(C(=O)c1cc(Cl)c2ccccc2c1[O-])C1CC1 ZINC000598134347 1041080639 /nfs/dbraw/zinc/08/06/39/1041080639.db2.gz WAAFKBNMGNFLFV-SNVBAGLBSA-N -1 0 314.772 3.715 20 30 DHEDRM C=C[C@@H](CC(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1ccccc1 ZINC000190978821 334964324 /nfs/dbraw/zinc/96/43/24/334964324.db2.gz HHQSLFUPFMIEEZ-AWEZNQCLSA-N -1 0 309.365 3.992 20 30 DHEDRM CC[C@@H](Cc1ccc(NCc2cc(C#N)cs2)cc1)C(=O)[O-] 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C=C[C@H](CC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1 ZINC000262964637 337622689 /nfs/dbraw/zinc/62/26/89/337622689.db2.gz OUVILJOQJWWZFA-NVXWUHKLSA-N -1 0 315.413 3.592 20 30 DHEDRM C#CCCCC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000277465044 337666357 /nfs/dbraw/zinc/66/63/57/337666357.db2.gz YOWNDBSHWWYBJL-UHFFFAOYSA-N -1 0 316.582 3.550 20 30 DHEDRM C=C[C@@H](CC(=O)NCCCCCCCC(=O)[O-])c1ccccc1 ZINC000277619562 337666517 /nfs/dbraw/zinc/66/65/17/337666517.db2.gz JCUIMMDICJZZAU-INIZCTEOSA-N -1 0 317.429 3.888 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(C#N)s2)n1 ZINC000429583924 338085273 /nfs/dbraw/zinc/08/52/73/338085273.db2.gz LRTBVONWHXDFPN-SNVBAGLBSA-N -1 0 301.396 3.690 20 30 DHEDRM CC(=Cc1ccc(C(C)(C)C)s1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435339649 338237546 /nfs/dbraw/zinc/23/75/46/338237546.db2.gz WPLLMCKQJAIFER-NTMALXAHSA-N -1 0 313.426 3.870 20 30 DHEDRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000436646180 338281237 /nfs/dbraw/zinc/28/12/37/338281237.db2.gz 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CC(C)Oc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000827058455 601300265 /nfs/dbraw/zinc/30/02/65/601300265.db2.gz GCMMLQHIVQTBLC-KRWDZBQOSA-N -1 0 310.353 3.583 20 30 DHEDRM CC[C@H](C)Oc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000828764853 601301632 /nfs/dbraw/zinc/30/16/32/601301632.db2.gz OLDCQPMLPXBTPZ-SCLBCKFNSA-N -1 0 324.380 3.973 20 30 DHEDRM N#Cc1cccc([C@@H](NCc2cc3ccccc3s2)C(=O)[O-])c1 ZINC000833076659 601303446 /nfs/dbraw/zinc/30/34/46/601303446.db2.gz XSWZGYFWTUTFNK-QGZVFWFLSA-N -1 0 322.389 3.688 20 30 DHEDRM CCSc1cccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000830169653 601305140 /nfs/dbraw/zinc/30/51/40/601305140.db2.gz VHBNSJGZGGYGBA-INIZCTEOSA-N -1 0 312.394 3.908 20 30 DHEDRM CN(Cc1cc2ccccc2o1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830811104 601323894 /nfs/dbraw/zinc/32/38/94/601323894.db2.gz MNGOEMABNZLFQO-SFHVURJKSA-N -1 0 320.348 3.562 20 30 DHEDRM C[C@@H]1Sc2sccc2C(=O)/C1=C\c1ccc(C(=O)[O-])[nH]1 ZINC000832829025 601332442 /nfs/dbraw/zinc/33/24/42/601332442.db2.gz PIZYPBNYCXCACO-LOBLAWFCSA-N -1 0 305.380 3.535 20 30 DHEDRM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(-c3ccncc3)cc2)[nH]1 ZINC000833094147 601332911 /nfs/dbraw/zinc/33/29/11/601332911.db2.gz GJSRSXUHVRWXDW-SOFGYWHQSA-N -1 0 318.332 3.671 20 30 DHEDRM N#Cc1cccc([C@H](OC(=O)C2CCCCCCC2)C(=O)[O-])c1 ZINC000833076360 601355140 /nfs/dbraw/zinc/35/51/40/601355140.db2.gz UMQXYWWODPKXNT-INIZCTEOSA-N -1 0 315.369 3.588 20 30 DHEDRM CC(C)CCN(CCC#N)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000826848904 601478586 /nfs/dbraw/zinc/47/85/86/601478586.db2.gz KUROZSRVJUZMNV-UHFFFAOYSA-N -1 0 318.377 3.570 20 30 DHEDRM Cc1ccc(OC(F)F)c(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)c1 ZINC000832950088 601881780 /nfs/dbraw/zinc/88/17/80/601881780.db2.gz AFOYNUZUTFCDHB-GQCTYLIASA-N -1 0 321.279 3.519 20 30 DHEDRM C[C@@H](Oc1ccc(/C=C2/CCCC(C)(C)C2=O)cc1)C(=O)[O-] ZINC000794698682 602111736 /nfs/dbraw/zinc/11/17/36/602111736.db2.gz BAIISRDVQFZGBK-POKNLVKOSA-N -1 0 302.370 3.701 20 30 DHEDRM O=C([O-])c1cc(/C=C\C(=O)c2ccc(-c3ccccc3)o2)c[nH]1 ZINC000833297465 602300002 /nfs/dbraw/zinc/30/00/02/602300002.db2.gz GQPVYNUUVAMADD-SREVYHEPSA-N -1 0 307.305 3.869 20 30 DHEDRM CC1(C)Cc2cc(N[C@@H](C(=O)[O-])c3cccc(C#N)c3)ccc2O1 ZINC000828079055 602303353 /nfs/dbraw/zinc/30/33/53/602303353.db2.gz YNZPALRBZSYQOJ-QGZVFWFLSA-N -1 0 322.364 3.510 20 30 DHEDRM CCC(CC)CN(CCC#N)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736895283 602519801 /nfs/dbraw/zinc/51/98/01/602519801.db2.gz OJFORPMBPWGPTC-UHFFFAOYSA-N -1 0 317.389 3.569 20 30 DHEDRM CCCCCCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000739329247 603001763 /nfs/dbraw/zinc/00/17/63/603001763.db2.gz HHAXYKWFCVMLRH-GOOCMWNKSA-N -1 0 310.438 3.527 20 30 DHEDRM C[C@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000825172140 603310082 /nfs/dbraw/zinc/31/00/82/603310082.db2.gz QHHZFGRRCZNSMP-NSHDSACASA-N -1 0 324.340 3.531 20 30 DHEDRM C=CCC(CC=C)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000823491029 604047825 /nfs/dbraw/zinc/04/78/25/604047825.db2.gz POLKAUUHYGIDQX-UHFFFAOYSA-N -1 0 314.385 3.824 20 30 DHEDRM Cc1cc(C)c(C#N)c(NCc2ccc([C@H](C)NC(=O)[O-])cc2)n1 ZINC000829985809 604346476 /nfs/dbraw/zinc/34/64/76/604346476.db2.gz CKARKIQDQREVLP-ZDUSSCGKSA-N -1 0 324.384 3.511 20 30 DHEDRM C=CCC(CC=C)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000825659903 604389212 /nfs/dbraw/zinc/38/92/12/604389212.db2.gz KLAGGFXGPVOXOZ-MRXNPFEDSA-N -1 0 315.413 3.723 20 30 DHEDRM CCc1nc(CSCc2cccc(C(=O)[O-])c2C#N)cs1 ZINC000833674148 604539059 /nfs/dbraw/zinc/53/90/59/604539059.db2.gz WOFVDLIPBZXTKZ-UHFFFAOYSA-N -1 0 318.423 3.709 20 30 DHEDRM C[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)[C@H](c2ccco2)C1 ZINC000833616127 604610986 /nfs/dbraw/zinc/61/09/86/604610986.db2.gz QLKFCUXEBSFQLJ-DYVFJYSZSA-N -1 0 324.380 3.823 20 30 DHEDRM O=C([O-])c1ccc(C(=O)/C=C\c2coc(-c3ccccc3)n2)cc1 ZINC000833309656 604628130 /nfs/dbraw/zinc/62/81/30/604628130.db2.gz DPEZHYDCWICZKJ-KHPPLWFESA-N -1 0 319.316 3.936 20 30 DHEDRM COc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000832282631 604630080 /nfs/dbraw/zinc/63/00/80/604630080.db2.gz WIZOAOYGEHURSG-KRXBUXKQSA-N -1 0 316.740 3.943 20 30 DHEDRM Cc1ccc([N+](=O)[O-])cc1N=NC(C)[C@@H](C)CCCCC(=O)[O-] ZINC000814824216 604638650 /nfs/dbraw/zinc/63/86/50/604638650.db2.gz NBSGTDBPDOGMCL-NSHDSACASA-N -1 0 321.377 3.972 20 30 DHEDRM Cc1nc(Cl)cc(N=NC(C)[C@@H](C)CCCCC(=O)[O-])n1 ZINC000814855760 604640840 /nfs/dbraw/zinc/64/08/40/604640840.db2.gz RWOWPWKBARMMGY-VIFPVBQESA-N -1 0 312.801 3.507 20 30 DHEDRM CC(C)(C#N)c1ccccc1CNc1ccc(CNC(=O)[O-])cc1 ZINC000826080667 604642477 /nfs/dbraw/zinc/64/24/77/604642477.db2.gz DQCSCZJONFKSKV-UHFFFAOYSA-N -1 0 323.396 3.867 20 30 DHEDRM COc1ccc(C#N)cc1CSCc1cccc(C(=O)[O-])c1 ZINC000832152375 604973246 /nfs/dbraw/zinc/97/32/46/604973246.db2.gz BEHMUFJBAZDTOS-UHFFFAOYSA-N -1 0 313.378 3.698 20 30 DHEDRM C[C@@H](CN=Nc1ccc(C(=O)[O-])cn1)c1cccc(Cl)c1 ZINC000763372435 605026026 /nfs/dbraw/zinc/02/60/26/605026026.db2.gz YDFFJRGZKLMLQU-JTQLQIEISA-N -1 0 303.749 3.635 20 30 DHEDRM O=C([O-])c1ccccc1NN=Cc1ccc(F)c2cccnc12 ZINC000759196201 605097578 /nfs/dbraw/zinc/09/75/78/605097578.db2.gz IHYFYGRRRSEALS-UHFFFAOYSA-N -1 0 309.300 3.518 20 30 DHEDRM C#CCCOc1ccc(CNc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737492290 605242198 /nfs/dbraw/zinc/24/21/98/605242198.db2.gz IVJBUCOAQLBXNM-UHFFFAOYSA-N -1 0 310.353 3.791 20 30 DHEDRM C=CCCC[C@@H](C)NC(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833373776 605280241 /nfs/dbraw/zinc/28/02/41/605280241.db2.gz CBFVQCMDONRZAU-SNVBAGLBSA-N -1 0 309.341 3.782 20 30 DHEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1cc(F)c(F)c(F)c1 ZINC000730429998 605592602 /nfs/dbraw/zinc/59/26/02/605592602.db2.gz MFYGJXOGNLOZSV-UHFFFAOYSA-N -1 0 308.259 3.638 20 30 DHEDRM C#CCCCCCC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000833361823 605600710 /nfs/dbraw/zinc/60/07/10/605600710.db2.gz NPXXOOBYOBCNNR-UHFFFAOYSA-N -1 0 317.385 3.694 20 30 DHEDRM N#C[C@@H](OC(=O)c1ccc(F)c(NC(=O)[O-])c1)C1CCCCC1 ZINC000833964929 606017954 /nfs/dbraw/zinc/01/79/54/606017954.db2.gz URSBBDUEWMNIJC-CQSZACIVSA-N -1 0 320.320 3.545 20 30 DHEDRM CC(C)CCCC(C)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000820242913 606988815 /nfs/dbraw/zinc/98/88/15/606988815.db2.gz QZLCZRACLMNVHE-UHFFFAOYSA-N -1 0 319.413 3.592 20 30 DHEDRM C=CCn1cc2ccc(NCc3cccc(C(=O)[O-])c3)cc2n1 ZINC001602731188 971412248 /nfs/dbraw/zinc/41/22/48/971412248.db2.gz XHJYQCINIWVLGE-UHFFFAOYSA-N -1 0 307.353 3.533 20 30 DHEDRM CC(C)CN(C(=O)c1cccc(C(=O)[O-])c1)c1ccc(C#N)cc1 ZINC001603026126 972087171 /nfs/dbraw/zinc/08/71/71/972087171.db2.gz ZEYYPYTYHUNFMH-UHFFFAOYSA-N -1 0 322.364 3.559 20 30 DHEDRM N#CCCCCCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001594609095 956190129 /nfs/dbraw/zinc/19/01/29/956190129.db2.gz NZWGADQLEOQMKR-UHFFFAOYSA-N -1 0 320.414 3.738 20 30 DHEDRM C=C(C)c1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001588444753 958365708 /nfs/dbraw/zinc/36/57/08/958365708.db2.gz QCUKALYTROCCLJ-INIZCTEOSA-N -1 0 310.353 3.667 20 30 DHEDRM C=CCCC1(CNC(=O)[C@@H](C(=O)[O-])C2CCCC2)CCCC1 ZINC001588457385 958449196 /nfs/dbraw/zinc/44/91/96/958449196.db2.gz XQTDXBSUEPUHHX-HNNXBMFYSA-N -1 0 307.434 3.520 20 30 DHEDRM C#CCCCC(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC001573302652 962659560 /nfs/dbraw/zinc/65/95/60/962659560.db2.gz DGRBROLWSDSSMA-UHFFFAOYSA-N -1 0 323.348 3.919 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC001573332608 962838988 /nfs/dbraw/zinc/83/89/88/962838988.db2.gz PKEVWGSZNPIMRR-QGZVFWFLSA-N -1 0 313.397 3.551 20 30 DHEDRM C=C[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1CC)c1ccccc1 ZINC001573344954 962922727 /nfs/dbraw/zinc/92/27/27/962922727.db2.gz BGPMZQRRLZDREK-MRXNPFEDSA-N -1 0 309.365 3.856 20 30 DHEDRM C=CCC1(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)CCCC1 ZINC001573352320 962985240 /nfs/dbraw/zinc/98/52/40/962985240.db2.gz AIORCDPFSXTCSZ-UHFFFAOYSA-N -1 0 302.374 3.704 20 30 DHEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NC(=O)[O-])cc1C ZINC001573353226 962999461 /nfs/dbraw/zinc/99/94/61/962999461.db2.gz SFXDAVZLKUHJQW-CJNGLKHVSA-N -1 0 316.401 3.950 20 30 DHEDRM C=CCCC[C@@H](NC(=O)c1cc2sccc2s1)C(=O)[O-] ZINC001573365162 963052962 /nfs/dbraw/zinc/05/29/62/963052962.db2.gz DKZPYMPQXYOTLT-SECBINFHSA-N -1 0 309.412 3.502 20 30 DHEDRM C=CCCC[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC001573365424 963053759 /nfs/dbraw/zinc/05/37/59/963053759.db2.gz GECXASPDMFOXOZ-MRXNPFEDSA-N -1 0 324.380 3.607 20 30 DHEDRM C=CCCC[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001573366445 963060271 /nfs/dbraw/zinc/06/02/71/963060271.db2.gz MIHPUQMFXOYJIW-CQSZACIVSA-N -1 0 313.353 3.805 20 30 DHEDRM CCCCS[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC000048761756 1013429448 /nfs/dbraw/zinc/42/94/48/1013429448.db2.gz BXVZXLJOINAIJC-GFCCVEGCSA-N -1 0 315.460 3.562 20 30 DHEDRM C[C@@H](C#N)Oc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1 ZINC000255083044 1013656737 /nfs/dbraw/zinc/65/67/37/1013656737.db2.gz OWCSBCGVTAWMGT-LDJOOVGUSA-N -1 0 311.312 3.718 20 30 DHEDRM CC(=CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21)C1CC1 ZINC000120982587 1013655743 /nfs/dbraw/zinc/65/57/43/1013655743.db2.gz FBIOPWCRERKSHY-SLZMIMFISA-N -1 0 306.365 3.724 20 30 DHEDRM N#CC(=C([O-])c1cccc(C#N)c1)c1nc2ccccc2s1 ZINC000046706485 1013699566 /nfs/dbraw/zinc/69/95/66/1013699566.db2.gz OYDZKDBGCHCYGP-CYBMUJFWSA-N -1 0 303.346 3.658 20 30 DHEDRM Oc1ccc(Cl)cc1/C=N\C[C@H](O)c1ccc(Cl)cc1 ZINC000255115824 1013738014 /nfs/dbraw/zinc/73/80/14/1013738014.db2.gz WWLFNPGVGUJPJV-VHXYRJIDSA-N -1 0 310.180 3.852 20 30 DHEDRM CSc1[n-]c(=O)c(C(=O)NC2(C)CCC(C)CC2)cc1C#N ZINC000330759782 1013836498 /nfs/dbraw/zinc/83/64/98/1013836498.db2.gz ZJTNSBSGKMZKGI-UHFFFAOYSA-N -1 0 319.430 3.654 20 30 DHEDRM N#CC(=C([O-])c1nccs1)c1nc2cc(Cl)ccc2s1 ZINC000683689721 1013857428 /nfs/dbraw/zinc/85/74/28/1013857428.db2.gz JSAYUQQDUVUCFC-QMMMGPOBSA-N -1 0 319.798 3.896 20 30 DHEDRM C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000076766652 1013854541 /nfs/dbraw/zinc/85/45/41/1013854541.db2.gz IJFIUDHJSLBQJT-WFASDCNBSA-N -1 0 321.442 3.647 20 30 DHEDRM C[C@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)[C@H]1CCCOC1 ZINC000331229218 1013864481 /nfs/dbraw/zinc/86/44/81/1013864481.db2.gz GDDRHKAFHUPJHL-IUCAKERBSA-N -1 0 318.200 3.819 20 30 DHEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC=CCC2)cc1Cl ZINC000080298906 1013911481 /nfs/dbraw/zinc/91/14/81/1013911481.db2.gz HVWLPADGOWNRKD-LLVKDONJSA-N -1 0 313.806 3.650 20 30 DHEDRM C=CC[C@H](C(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1 ZINC001609626203 970426002 /nfs/dbraw/zinc/42/60/02/970426002.db2.gz HBPPPFZGQGXNJQ-INIZCTEOSA-N -1 0 309.365 3.612 20 30 DHEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(Cl)cc1 ZINC000748149403 1014037117 /nfs/dbraw/zinc/03/71/17/1014037117.db2.gz XJMQYLAEBDABCM-WAPJZHGLSA-N -1 0 303.701 3.850 20 30 DHEDRM N#Cc1cccc(CN2C[C@@H](CCC(=O)[O-])Cc3ccccc32)c1 ZINC001605617806 973937119 /nfs/dbraw/zinc/93/71/19/973937119.db2.gz XAXVWVXWQKPJPG-KRWDZBQOSA-N -1 0 320.392 3.602 20 30 DHEDRM Cc1ccc(NCc2ccc(C3(C#N)CC3)cc2)cc1C(=O)[O-] ZINC000594689748 974989490 /nfs/dbraw/zinc/98/94/90/974989490.db2.gz FIGLHRJWDJTLRZ-UHFFFAOYSA-N -1 0 306.365 3.861 20 30 DHEDRM C=C(C)C[C@H](NC(=O)c1oc2c(c1C)c(C)ccc2C)C(=O)[O-] ZINC000630326705 975253688 /nfs/dbraw/zinc/25/36/88/975253688.db2.gz RYCDZZABCKPNKK-ZDUSSCGKSA-N -1 0 315.369 3.507 20 30 DHEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000659166333 975765671 /nfs/dbraw/zinc/76/56/71/975765671.db2.gz KHOWPHJDXATARJ-WBVHZDCISA-N -1 0 315.413 3.569 20 30 DHEDRM CC(C)Oc1ccc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@@H]2C)cc1C#N ZINC001591788812 975976345 /nfs/dbraw/zinc/97/63/45/975976345.db2.gz VZNZSQAYESJCAB-WOSRLPQWSA-N -1 0 316.401 3.647 20 30 DHEDRM CC(C)c1ncc(C=NNc2ccc(C(=O)[O-])c(F)c2)s1 ZINC001592033007 976747098 /nfs/dbraw/zinc/74/70/98/976747098.db2.gz DSACCARKZZIKKI-UHFFFAOYSA-N -1 0 307.350 3.550 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1N=NC[C@H](C)c1ccc(F)cc1 ZINC000756905733 978702132 /nfs/dbraw/zinc/70/21/32/978702132.db2.gz HNKKYKVSHRCMGD-NSHDSACASA-N -1 0 316.332 3.734 20 30 DHEDRM O=C([O-])c1ccc(N=NCc2ccc(Cl)cc2Cl)nc1 ZINC000763369526 978722123 /nfs/dbraw/zinc/72/21/23/978722123.db2.gz VPRIAHWVNJMQSI-UHFFFAOYSA-N -1 0 310.140 3.533 20 30 DHEDRM Cc1cccc2c1[C@@H](C)/C(=C/c1ccc(OCC(=O)[O-])cc1)C2=O ZINC000766696329 978724326 /nfs/dbraw/zinc/72/43/26/978724326.db2.gz QQWIKNUZLFLHIO-NWRYFCBHSA-N -1 0 322.360 3.842 20 30 DHEDRM O=C([O-])c1cccc(/C=C/C(=O)c2nccc3ccccc32)c1 ZINC000811698501 978855294 /nfs/dbraw/zinc/85/52/94/978855294.db2.gz KSDGNOMLFAPQPK-CMDGGOBGSA-N -1 0 303.317 3.829 20 30 DHEDRM CC(C)c1nc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)cs1 ZINC000812243950 978869324 /nfs/dbraw/zinc/86/93/24/978869324.db2.gz WGUUUAXMEAJUMV-SREVYHEPSA-N -1 0 301.367 3.861 20 30 DHEDRM CC(=NNc1cc(F)c(F)cc1F)c1cc(C(=O)[O-])cs1 ZINC000814851768 978892440 /nfs/dbraw/zinc/89/24/40/978892440.db2.gz UAQPIQUYCRIRJC-UHFFFAOYSA-N -1 0 314.288 3.700 20 30 DHEDRM C=CC[C@@H]1N(C(=O)c2ccc(/C=C/C(=O)[O-])o2)CCCC1(C)C ZINC000826573014 978946976 /nfs/dbraw/zinc/94/69/76/978946976.db2.gz YRBMWDQBGKUJCG-HQPKTYMTSA-N -1 0 317.385 3.584 20 30 DHEDRM COCCC1(CN=Nc2ccc(CC(=O)[O-])cc2)CCCCC1 ZINC000848414342 979466589 /nfs/dbraw/zinc/46/65/89/979466589.db2.gz MJIGYGQNGFJORJ-UHFFFAOYSA-N -1 0 318.417 3.698 20 30 DHEDRM C[C@@H](Cc1ccc(NCc2ccc(C#N)c(F)c2)cc1)C(=O)[O-] ZINC001592878161 979748648 /nfs/dbraw/zinc/74/86/48/979748648.db2.gz VSJWUQBVANQVHV-LBPRGKRZSA-N -1 0 312.344 3.573 20 30 DHEDRM COc1ccc2occ(C([O-])=C(C#N)c3nc(C)cs3)c2c1 ZINC000442036605 1014622492 /nfs/dbraw/zinc/62/24/92/1014622492.db2.gz YBGNJTIJZQNJIN-LBPRGKRZSA-N -1 0 312.350 3.696 20 30 DHEDRM C=C[C@H](CC)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000907603675 981199040 /nfs/dbraw/zinc/19/90/40/981199040.db2.gz MTUUSLLVEBXWNS-DOMZBBRYSA-N -1 0 321.442 3.643 20 30 DHEDRM C=CCCC[C@@H](NC(=O)c1cc(C2CC2)oc1C1CC1)C(=O)[O-] ZINC000907780976 981219057 /nfs/dbraw/zinc/21/90/57/981219057.db2.gz LFGURZOHZDLUPZ-CQSZACIVSA-N -1 0 317.385 3.574 20 30 DHEDRM CC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)cc1 ZINC000340975098 1014726758 /nfs/dbraw/zinc/72/67/58/1014726758.db2.gz RLZVGRGSTXUQHH-CQSZACIVSA-N -1 0 320.373 3.989 20 30 DHEDRM C=C1CCC(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)CC1 ZINC000909478566 981504953 /nfs/dbraw/zinc/50/49/53/981504953.db2.gz OWEZBUHDGMXAPK-UHFFFAOYSA-N -1 0 315.413 3.626 20 30 DHEDRM C#CCC1(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)CCCCC1 ZINC000909835762 981655818 /nfs/dbraw/zinc/65/58/18/981655818.db2.gz VMAHECGCDSWXIX-AWEZNQCLSA-N -1 0 313.397 3.787 20 30 DHEDRM CCC[C@H]1CCCC[C@@H]1CNc1ccc(C(=O)[O-])nc1C#N ZINC001595622700 981712937 /nfs/dbraw/zinc/71/29/37/981712937.db2.gz VUVAHBZJNMSSCG-QWHCGFSZSA-N -1 0 301.390 3.670 20 30 DHEDRM CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001595651275 982019923 /nfs/dbraw/zinc/01/99/23/982019923.db2.gz DROCMZIXJVFFNO-OAHLLOKOSA-N -1 0 320.389 3.603 20 30 DHEDRM C=CCC1(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)CCC1 ZINC000910946366 982171793 /nfs/dbraw/zinc/17/17/93/982171793.db2.gz NEFATTGWIOBCKW-UHFFFAOYSA-N -1 0 305.399 3.792 20 30 DHEDRM CCCCCCCCCC(=O)Nc1c(C(=O)[O-])c(C)nn1C ZINC001595704577 982277284 /nfs/dbraw/zinc/27/72/84/982277284.db2.gz BCTUTFORPKLIPS-UHFFFAOYSA-N -1 0 309.410 3.506 20 30 DHEDRM CCCCCCCCC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001595704795 982279883 /nfs/dbraw/zinc/27/98/83/982279883.db2.gz HKPVGGHDXLSSPM-CRAIPNDOSA-N -1 0 309.450 3.840 20 30 DHEDRM CCCCCCC[C@@H](C)CNC(=O)c1cccc(C(=O)[O-])n1 ZINC001595705247 982283555 /nfs/dbraw/zinc/28/35/55/982283555.db2.gz SLOXWISXSIGXMY-CYBMUJFWSA-N -1 0 306.406 3.506 20 30 DHEDRM N#Cc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1[O-] ZINC000191133219 1014880587 /nfs/dbraw/zinc/88/05/87/1014880587.db2.gz OONZYXRIGLXUPQ-UHFFFAOYSA-N -1 0 324.233 3.674 20 30 DHEDRM C#C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1)c1ccc(Cl)cc1F ZINC001588377626 983357777 /nfs/dbraw/zinc/35/77/77/983357777.db2.gz OCDLKNIKKHYKCP-HZPDHXFCSA-N -1 0 317.747 3.569 20 30 DHEDRM C=C(C)[C@H](N[C@@H](C)c1nc(C(=O)[O-])co1)c1ccc(F)c(F)c1 ZINC001588535650 983590350 /nfs/dbraw/zinc/59/03/50/983590350.db2.gz PNRGTCNXAMJUKH-XPTSAGLGSA-N -1 0 322.311 3.619 20 30 DHEDRM C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(C(=O)[O-])c1 ZINC001588567792 983647955 /nfs/dbraw/zinc/64/79/55/983647955.db2.gz SKLPZQYKYZNDOS-UHFFFAOYSA-N -1 0 309.365 3.603 20 30 DHEDRM C=C(C)c1cccc(NC(=O)c2ccsc2CC(=O)[O-])c1 ZINC001588605715 983694318 /nfs/dbraw/zinc/69/43/18/983694318.db2.gz OGDLWHKJHSFZIH-UHFFFAOYSA-N -1 0 301.367 3.661 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC001588629338 983737085 /nfs/dbraw/zinc/73/70/85/983737085.db2.gz HNZRFUZURCSKHE-UHFFFAOYSA-N -1 0 317.385 3.505 20 30 DHEDRM C=CC(C)(C)CCNC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001588676835 983831395 /nfs/dbraw/zinc/83/13/95/983831395.db2.gz DSUOILVYSHSSGV-ZDUSSCGKSA-N -1 0 318.417 3.674 20 30 DHEDRM C=C[C@H](CC)CC(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21 ZINC001588691261 983879171 /nfs/dbraw/zinc/87/91/71/983879171.db2.gz VWESAISCRXEXJE-CYBMUJFWSA-N -1 0 301.386 3.575 20 30 DHEDRM C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001588719832 983962950 /nfs/dbraw/zinc/96/29/50/983962950.db2.gz YOPQKBMUHDZZMG-LLVKDONJSA-N -1 0 308.765 3.611 20 30 DHEDRM C=CC[C@@H](C(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC001588720620 983969122 /nfs/dbraw/zinc/96/91/22/983969122.db2.gz CEXUHYZHPOHETL-MRXNPFEDSA-N -1 0 309.365 3.992 20 30 DHEDRM C=CC[C@@H](C(=O)[O-])N1CC(C)(C)c2ccc(Br)cc21 ZINC001588727848 983978485 /nfs/dbraw/zinc/97/84/85/983978485.db2.gz GAAFAEDIAIODCU-LBPRGKRZSA-N -1 0 324.218 3.576 20 30 DHEDRM C=CC[C@@H](C(=O)OCc1cc(C(=O)[O-])oc1C)c1ccccc1 ZINC001588731570 984009513 /nfs/dbraw/zinc/00/95/13/984009513.db2.gz KGOFFFYGIJBIMN-OAHLLOKOSA-N -1 0 314.337 3.689 20 30 DHEDRM C=CCC(C)(C)CNC(=O)Nc1ccc(C(=O)[O-])cc1CC ZINC001588736096 984022720 /nfs/dbraw/zinc/02/27/20/984022720.db2.gz DQGAETUOSLEKPE-UHFFFAOYSA-N -1 0 304.390 3.671 20 30 DHEDRM C=CCC1(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)CCCCC1 ZINC001588764728 984123624 /nfs/dbraw/zinc/12/36/24/984123624.db2.gz HKICVJVNPGCWRY-UHFFFAOYSA-N -1 0 322.792 3.898 20 30 DHEDRM C=CCC1(NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCCC1 ZINC001588767364 984130021 /nfs/dbraw/zinc/13/00/21/984130021.db2.gz XLLSSIJZFRNEAW-UHFFFAOYSA-N -1 0 306.337 3.534 20 30 DHEDRM C=CCC1(NC(=O)c2ccc(C)c(C(=O)[O-])c2)CCCCC1 ZINC001588767365 984130045 /nfs/dbraw/zinc/13/00/45/984130045.db2.gz XONKRXWMKWWWAS-UHFFFAOYSA-N -1 0 301.386 3.702 20 30 DHEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001588770614 984135073 /nfs/dbraw/zinc/13/50/73/984135073.db2.gz BKLYLJOYYFAWJG-CZUORRHYSA-N -1 0 316.401 3.950 20 30 DHEDRM C=CC[C@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2CC)C1 ZINC001588771017 984137260 /nfs/dbraw/zinc/13/72/60/984137260.db2.gz LHTFOHJEPOFXNE-ZDUSSCGKSA-N -1 0 316.401 3.767 20 30 DHEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001588771523 984140402 /nfs/dbraw/zinc/14/04/02/984140402.db2.gz WZRZFLKGFVUNIN-SMDDNHRTSA-N -1 0 320.364 3.780 20 30 DHEDRM C=CC[C@H]1N(C(=O)c2cc(C)cc(C(=O)[O-])c2)CCCC1(C)C ZINC001588773721 984148634 /nfs/dbraw/zinc/14/86/34/984148634.db2.gz GUWZNEXXXIDWEQ-MRXNPFEDSA-N -1 0 315.413 3.900 20 30 DHEDRM C=CCCC(C)(C)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001588777535 984156938 /nfs/dbraw/zinc/15/69/38/984156938.db2.gz CTWRVGFJMCLYAA-UHFFFAOYSA-N -1 0 310.781 3.905 20 30 DHEDRM C=CCCC[C@@H](C(=O)Nc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC001588783152 984177703 /nfs/dbraw/zinc/17/77/03/984177703.db2.gz ZUXWMDCKQYTYEP-MRXNPFEDSA-N -1 0 324.380 3.858 20 30 DHEDRM C=CCCC[C@@H](NC(=O)CC(C1CCC1)C1CCC1)C(=O)[O-] ZINC001588790441 984206475 /nfs/dbraw/zinc/20/64/75/984206475.db2.gz WZKNRVKMYSFFOX-MRXNPFEDSA-N -1 0 307.434 3.519 20 30 DHEDRM C=CCCCN(CC)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001588801686 984247147 /nfs/dbraw/zinc/24/71/47/984247147.db2.gz UCCICPBIKHJWKL-CYBMUJFWSA-N -1 0 304.390 3.695 20 30 DHEDRM C=CCCc1ccccc1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001588817763 984277261 /nfs/dbraw/zinc/27/72/61/984277261.db2.gz VGJMLSDDSFDJCK-GOEBONIOSA-N -1 0 316.401 3.570 20 30 DHEDRM C=CCN(C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)C(C)C ZINC001588820859 984286805 /nfs/dbraw/zinc/28/68/05/984286805.db2.gz WVPJAEBBEHHNGC-UHFFFAOYSA-N -1 0 314.744 3.606 20 30 DHEDRM C=CCN(Cc1ccc(OC)cc1)[C@@H](C(=O)[O-])c1ccsc1 ZINC001588832374 984321731 /nfs/dbraw/zinc/32/17/31/984321731.db2.gz GRAJYEJXHDNFTD-MRXNPFEDSA-N -1 0 317.410 3.571 20 30 DHEDRM C=CCOc1ccc(CNc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001588873002 984443693 /nfs/dbraw/zinc/44/36/93/984443693.db2.gz YXAMWPFLDXJUCF-UHFFFAOYSA-N -1 0 301.317 3.701 20 30 DHEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H](C)[C@@H](C)CC ZINC001588882459 984463010 /nfs/dbraw/zinc/46/30/10/984463010.db2.gz UMZUPSUJMIODBE-RYUDHWBXSA-N -1 0 320.385 3.710 20 30 DHEDRM C=CCc1cc([N+](=O)[O-])ccc1OCc1ccc(C(=O)[O-])cc1 ZINC001588885593 984468587 /nfs/dbraw/zinc/46/85/87/984468587.db2.gz PCXFQOYSXMMTPG-UHFFFAOYSA-N -1 0 313.309 3.601 20 30 DHEDRM C=CCc1cccc(C(C)C)c1NC(=O)C[C@H](C)CC(=O)[O-] ZINC001588886733 984473561 /nfs/dbraw/zinc/47/35/61/984473561.db2.gz PPLJMKKIKIRGNF-ZDUSSCGKSA-N -1 0 303.402 3.978 20 30 DHEDRM C=CCc1ccc(OCc2cc(C(=O)[O-])c(C)o2)c(OC)c1 ZINC001588886983 984474811 /nfs/dbraw/zinc/47/48/11/984474811.db2.gz WISGEZQOMJAQNB-UHFFFAOYSA-N -1 0 302.326 3.602 20 30 DHEDRM Cc1cccc(CC(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)c1 ZINC000077879491 1015214772 /nfs/dbraw/zinc/21/47/72/1015214772.db2.gz UILLDRHGOREBAU-AWEZNQCLSA-N -1 0 317.410 3.585 20 30 DHEDRM CCc1ccsc1C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000077880487 1015215005 /nfs/dbraw/zinc/21/50/05/1015215005.db2.gz VLLUEMAPZSBNQX-LLVKDONJSA-N -1 0 323.439 3.706 20 30 DHEDRM Cc1cccc(C(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)c1C ZINC000077880271 1015215269 /nfs/dbraw/zinc/21/52/69/1015215269.db2.gz FYSAFMOCZWBQLE-CQSZACIVSA-N -1 0 317.410 3.699 20 30 DHEDRM CC(C)(C)C[C@H](O)C/N=C\c1cc(Cl)cc(Cl)c1[O-] ZINC000255358468 1015216906 /nfs/dbraw/zinc/21/69/06/1015216906.db2.gz SMSUUOVPGZPXBA-XAXWUXFESA-N -1 0 304.217 3.915 20 30 DHEDRM CCC(C#N)(CC)C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001594722093 987208708 /nfs/dbraw/zinc/20/87/08/987208708.db2.gz IHGYGLSUHJFQLY-HNNXBMFYSA-N -1 0 315.369 3.635 20 30 DHEDRM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1cc2ccccc2o1 ZINC001599841289 988838339 /nfs/dbraw/zinc/83/83/39/988838339.db2.gz WZIODGTVAXPFCZ-KZULUSFZSA-N -1 0 320.348 3.781 20 30 DHEDRM CCc1oc(C(=O)[O-])cc1COc1c(C)cc(Cl)cc1C#N ZINC001597772130 989235148 /nfs/dbraw/zinc/23/51/48/989235148.db2.gz ITFFTKUZQHSXLL-UHFFFAOYSA-N -1 0 319.744 3.953 20 30 DHEDRM CC(C)(C)c1ccc(C#N)c(OC[C@H]2CCCC[C@@H]2C(=O)[O-])n1 ZINC001590472060 990042997 /nfs/dbraw/zinc/04/29/97/990042997.db2.gz HIMZCLPAOCOUCT-KGLIPLIRSA-N -1 0 316.401 3.521 20 30 DHEDRM COc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1F ZINC000255388384 1015548159 /nfs/dbraw/zinc/54/81/59/1015548159.db2.gz IJRDJCJJLYVPPO-UHFFFAOYSA-N -1 0 324.695 3.852 20 30 DHEDRM CC(C)(CSCc1cc(Cl)ccc1OCC#N)C(=O)[O-] ZINC001590820446 990656291 /nfs/dbraw/zinc/65/62/91/990656291.db2.gz OXFGVEPDNIUCQF-UHFFFAOYSA-N -1 0 313.806 3.586 20 30 DHEDRM CC(C)c1occc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000361843391 1032123555 /nfs/dbraw/zinc/12/35/55/1032123555.db2.gz PTSAGSNZAXXMCI-ZDUSSCGKSA-N -1 0 305.337 3.836 20 30 DHEDRM CC(C)CN(Cc1ccccc1CC(=O)[O-])c1ccc(C#N)cc1 ZINC001591344332 992330409 /nfs/dbraw/zinc/33/04/09/992330409.db2.gz XSDWPDKGUGGHJH-UHFFFAOYSA-N -1 0 322.408 3.848 20 30 DHEDRM C[C@@H](NN=C1CCC[C@H](CCCC(=O)[O-])C1)c1ccncc1 ZINC001593319624 994849330 /nfs/dbraw/zinc/84/93/30/994849330.db2.gz QUNYQSULNVIVKH-ZIAGYGMSSA-N -1 0 303.406 3.533 20 30 DHEDRM C[C@H](Sc1ccc(C(=O)[O-])nc1C#N)c1ccccc1F ZINC001593664431 996051784 /nfs/dbraw/zinc/05/17/84/996051784.db2.gz SJCIDILBZXWCHP-VIFPVBQESA-N -1 0 302.330 3.644 20 30 DHEDRM C[C@@H](Sc1cccc(Cl)c1C#N)c1nc(C(=O)[O-])co1 ZINC001593667435 996057301 /nfs/dbraw/zinc/05/73/01/996057301.db2.gz NSSGTCRUAYUREU-SSDOTTSWSA-N -1 0 308.746 3.751 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])C=Cc2cncc(F)c2)n1 ZINC000255434851 1016055307 /nfs/dbraw/zinc/05/53/07/1016055307.db2.gz RTGMFBZAOQMRGZ-SCOBNMCVSA-N -1 0 315.373 3.690 20 30 DHEDRM COc1ccc(C(C)=NNc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001599505759 997209304 /nfs/dbraw/zinc/20/93/04/997209304.db2.gz ZTHUTVJWFZECAX-UHFFFAOYSA-N -1 0 318.760 3.883 20 30 DHEDRM COc1cc(/C=C/C(=O)[O-])ccc1OCC1CCC(C#N)CC1 ZINC001599402004 997230422 /nfs/dbraw/zinc/23/04/22/997230422.db2.gz ZOLZLYDEIWACRJ-VQHVLOKHSA-N -1 0 315.369 3.502 20 30 DHEDRM CCOc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1OC ZINC000728438627 1016155390 /nfs/dbraw/zinc/15/53/90/1016155390.db2.gz JCZYKPDHYAPTRK-DAXSKMNVSA-N -1 0 316.328 3.835 20 30 DHEDRM COc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])co2)c(Cl)c1 ZINC001599543403 997882523 /nfs/dbraw/zinc/88/25/23/997882523.db2.gz HDHYQNIDIGDFRG-HWKANZROSA-N -1 0 306.701 3.536 20 30 DHEDRM COc1ccc(C#N)cc1N[C@H]1CCC[C@@H](CCCC(=O)[O-])C1 ZINC001599477043 998549853 /nfs/dbraw/zinc/54/98/53/998549853.db2.gz UYDFYNUAAVPGEE-ZFWWWQNUSA-N -1 0 316.401 3.792 20 30 DHEDRM C[C@@H]1C/C(=C/c2cc(C(=O)[O-])n(C)c2)C(=O)c2sccc21 ZINC001594197388 998764079 /nfs/dbraw/zinc/76/40/79/998764079.db2.gz RHCVWFMQLLAXAW-NJQKBMNKSA-N -1 0 301.367 3.558 20 30 DHEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N\CCC[C@@H]1CCOC1 ZINC000840710322 1016565183 /nfs/dbraw/zinc/56/51/83/1016565183.db2.gz QCUBZHYVIKZRAY-VLWLMIQISA-N -1 0 302.201 3.935 20 30 DHEDRM CCCc1occc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000342683301 1016995974 /nfs/dbraw/zinc/99/59/74/1016995974.db2.gz VEJQGEWDBHZYQX-CYBMUJFWSA-N -1 0 305.337 3.665 20 30 DHEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCC[C@@H](C)C2)cc1 ZINC000080250362 1032306056 /nfs/dbraw/zinc/30/60/56/1032306056.db2.gz YNJMIBAGWBSABX-KGLIPLIRSA-N -1 0 309.431 3.857 20 30 DHEDRM C=C1CC=C(F)C=C1NC(=O)c1ccc(C(F)(F)F)cc1O ZINC001148806551 1032446254 /nfs/dbraw/zinc/44/62/54/1032446254.db2.gz XOMGEQUFCZYNQO-UHFFFAOYSA-N -1 0 313.250 3.838 20 30 DHEDRM CO[C@H]1CCCC[C@@H]1/N=C\c1cc(Br)ccc1O ZINC000799743222 1032446356 /nfs/dbraw/zinc/44/63/56/1032446356.db2.gz ZHKIIUHHAGUREG-VRZLQLBNSA-N -1 0 312.207 3.531 20 30 DHEDRM O=C(C=Cc1ccc([N+](=O)[O-])c(Cl)c1)c1sccc1[O-] ZINC000773142923 1032573916 /nfs/dbraw/zinc/57/39/16/1032573916.db2.gz IRUCIWQRKFXVAG-RQOWECAXSA-N -1 0 309.730 3.911 20 30 DHEDRM O=C(C=Cc1cc(Cl)ccc1[N+](=O)[O-])c1sccc1[O-] ZINC000773142572 1032574439 /nfs/dbraw/zinc/57/44/39/1032574439.db2.gz COBPIPJUHXGXRC-DAFODLJHSA-N -1 0 309.730 3.911 20 30 DHEDRM O=C(C=Cc1ccc([N+](=O)[O-])cc1Cl)c1sccc1[O-] ZINC000773151586 1032581197 /nfs/dbraw/zinc/58/11/97/1032581197.db2.gz XAFIDYUVQMTCEC-RQOWECAXSA-N -1 0 309.730 3.911 20 30 DHEDRM COc1cc2c(cc1C=CC(=O)c1sccc1[O-])O[C@@H](C)C2 ZINC000773150960 1032579497 /nfs/dbraw/zinc/57/94/97/1032579497.db2.gz RTZAKCKUFMVZHS-XOULXFPDSA-N -1 0 316.378 3.682 20 30 DHEDRM CC(C)(C)n1ccc(C([O-])=C(C#N)c2nccc3ccccc32)n1 ZINC000654990188 1012254817 /nfs/dbraw/zinc/25/48/17/1012254817.db2.gz FXYOGVHPWPUVCR-HNNXBMFYSA-N -1 0 318.380 3.676 20 30 DHEDRM CC1=CCC[C@H](C)[C@H]1C=Nn1c(=O)c2ccccc2[n-]c1=S ZINC000773190024 1032620604 /nfs/dbraw/zinc/62/06/04/1032620604.db2.gz MECUVNDSJFJZQB-JSGCOSHPSA-N -1 0 313.426 3.512 20 30 DHEDRM C=C(C)C(=O)OC[C@H](C)Oc1cc(Cl)c(O)cc1Cl ZINC001227641542 1017127102 /nfs/dbraw/zinc/12/71/02/1017127102.db2.gz PBNMRJZKGUHSPF-QMMMGPOBSA-N -1 0 305.157 3.586 20 30 DHEDRM CC(C)c1cc(C([O-])=C(C#N)c2nc3ccccc3s2)n[nH]1 ZINC000048823700 1017592321 /nfs/dbraw/zinc/59/23/21/1017592321.db2.gz WJSUVOKHXPSQTR-JTQLQIEISA-N -1 0 310.382 3.633 20 30 DHEDRM CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000073288762 1017639530 /nfs/dbraw/zinc/63/95/30/1017639530.db2.gz FRSZBKYIUMOHRF-GFCCVEGCSA-N -1 0 307.415 3.552 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])C=Cc2ccc3ccccc3n2)n1 ZINC000255555668 1017684387 /nfs/dbraw/zinc/68/43/87/1017684387.db2.gz DDMFJSCZMYAHDV-CDNLZTBQSA-N -1 0 319.389 3.889 20 30 DHEDRM O=C([O-])c1cccc(/C=C2/COc3ccccc3C2=O)c1Cl ZINC000588558324 1017862435 /nfs/dbraw/zinc/86/24/35/1017862435.db2.gz HMCCTJHXRKFJED-FLIBITNWSA-N -1 0 314.724 3.697 20 30 DHEDRM O=C([O-])c1cccc(/C=C\C(=O)c2cccc(O)c2)c1Cl ZINC000588558349 1017865138 /nfs/dbraw/zinc/86/51/38/1017865138.db2.gz PMRQYGHWHKDYBY-FPLPWBNLSA-N -1 0 302.713 3.640 20 30 DHEDRM COc1nc2ccccc2cc1/C=C/C(=O)c1ccc(O)cc1[O-] ZINC000764107391 1018162064 /nfs/dbraw/zinc/16/20/64/1018162064.db2.gz NEWJEYUPULTLDL-RMKNXTFCSA-N -1 0 321.332 3.551 20 30 DHEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1cc2c(s1)CCC2 ZINC000764442969 1018282746 /nfs/dbraw/zinc/28/27/46/1018282746.db2.gz TZXQBWXTMDXLLJ-ALCCZGGFSA-N -1 0 315.350 3.747 20 30 DHEDRM COc1cccc(F)c1[C@@H](C)/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000741845934 1018468711 /nfs/dbraw/zinc/46/87/11/1018468711.db2.gz ZNTNJOMJEZKNGT-PQQLAPNWSA-N -1 0 318.304 3.628 20 30 DHEDRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1ccc(C#N)c(O)c1 ZINC000527198428 1018534447 /nfs/dbraw/zinc/53/44/47/1018534447.db2.gz WNVCHEUFPZKHLZ-CYBMUJFWSA-N -1 0 324.380 3.542 20 30 DHEDRM Cc1cncc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c1 ZINC000676103984 1018664944 /nfs/dbraw/zinc/66/49/44/1018664944.db2.gz OLPDTYJDRJYOQC-LBPRGKRZSA-N -1 0 311.341 3.629 20 30 DHEDRM Cc1c2cccc(C)c2oc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000176818006 1019073752 /nfs/dbraw/zinc/07/37/52/1019073752.db2.gz JNNMJBYHQJVKLP-UHFFFAOYSA-N -1 0 306.321 3.879 20 30 DHEDRM CCc1ccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000213723682 1019077074 /nfs/dbraw/zinc/07/70/74/1019077074.db2.gz XCPBHEWZSDGWGA-KHPPLWFESA-N -1 0 310.349 3.609 20 30 DHEDRM COCCCOc1cccc(C=CC(=O)c2sccc2[O-])c1 ZINC000588599188 1019285368 /nfs/dbraw/zinc/28/53/68/1019285368.db2.gz ROEHGESTBFJHFD-SREVYHEPSA-N -1 0 318.394 3.765 20 30 DHEDRM COc1c(C)cc(/C=C/C(=O)c2csc(C(=O)[O-])c2)cc1C ZINC000730148253 1019953613 /nfs/dbraw/zinc/95/36/13/1019953613.db2.gz CTIADPZIOROUIE-SNAWJCMRSA-N -1 0 316.378 3.968 20 30 DHEDRM Cc1cc(/C=C\C(=O)c2csc(C(=O)[O-])c2)cc(C)c1O ZINC000730150913 1019954053 /nfs/dbraw/zinc/95/40/53/1019954053.db2.gz YYPPFISPMDDPSB-ARJAWSKDSA-N -1 0 302.351 3.665 20 30 DHEDRM COc1ccccc1/C=C/C=C\C(=O)c1csc(C(=O)[O-])c1 ZINC000730148931 1019954153 /nfs/dbraw/zinc/95/41/53/1019954153.db2.gz QARBUWRFDBHRLJ-XATRDHJGSA-N -1 0 314.362 3.907 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2occ3c2CCC3)n1 ZINC000671769284 1020026139 /nfs/dbraw/zinc/02/61/39/1020026139.db2.gz 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/nfs/dbraw/zinc/35/29/16/1020352916.db2.gz MCOICOKTWOLKGB-HJWRWDBZSA-N -1 0 322.316 3.792 20 30 DHEDRM CCC(CC)S(=O)(=O)[N-]C(=O)CCc1c[nH]c2ccccc12 ZINC000073837791 1020401184 /nfs/dbraw/zinc/40/11/84/1020401184.db2.gz WUCFXIJXLOOURW-UHFFFAOYSA-N -1 0 322.430 3.575 20 30 DHEDRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC000073838051 1020401617 /nfs/dbraw/zinc/40/16/17/1020401617.db2.gz ARWSCUGEOYEPMR-QWHCGFSZSA-N -1 0 301.452 3.700 20 30 DHEDRM CCC(CC)S(=O)(=O)[N-]C(=O)CCCc1cccs1 ZINC000073837902 1020401665 /nfs/dbraw/zinc/40/16/65/1020401665.db2.gz NDENEQZGLWZTQQ-UHFFFAOYSA-N -1 0 303.449 3.546 20 30 DHEDRM N#Cc1ccc(C(=O)N2CCCCC[C@@H]2c2ccco2)cc1O ZINC000188457564 1020405416 /nfs/dbraw/zinc/40/54/16/1020405416.db2.gz PTANRNQIECHBPJ-OAHLLOKOSA-N -1 0 310.353 3.614 20 30 DHEDRM CC(C)(C(=O)Nc1cc(C#N)ccc1[O-])c1ccc(Cl)cc1 ZINC000179737753 1020436517 /nfs/dbraw/zinc/43/65/17/1020436517.db2.gz GWSFFQVKZVEDBY-UHFFFAOYSA-N -1 0 314.772 3.834 20 30 DHEDRM COc1cc(/C=C\C(=O)c2sccc2C)cc([N+](=O)[O-])c1[O-] ZINC000733748928 1020437322 /nfs/dbraw/zinc/43/73/22/1020437322.db2.gz NUGJRMWJQLDHLS-ARJAWSKDSA-N -1 0 319.338 3.575 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])C=Cc2ccc3ccccc3n2)n1 ZINC000177135257 1020458528 /nfs/dbraw/zinc/45/85/28/1020458528.db2.gz DDMFJSCZMYAHDV-XVJNWHFHSA-N -1 0 319.389 3.889 20 30 DHEDRM CCn1cc(/C=C\C(=O)c2cc(Cl)c(Cl)cc2[O-])cn1 ZINC000766033226 1020504266 /nfs/dbraw/zinc/50/42/66/1020504266.db2.gz CDIUIOYUMMSRMP-ARJAWSKDSA-N -1 0 311.168 3.812 20 30 DHEDRM O=C(/C=C/c1cc(F)c(F)c(F)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000136503676 1020509341 /nfs/dbraw/zinc/50/93/41/1020509341.db2.gz YORNDRNCDLCYCI-HNQUOIGGSA-N -1 0 323.226 3.614 20 30 DHEDRM Cc1c(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])oc2ccccc12 ZINC000734303035 1020583360 /nfs/dbraw/zinc/58/33/60/1020583360.db2.gz AWQYEGGWIOMAPH-GIJQJNRQSA-N -1 0 310.309 3.974 20 30 DHEDRM Cc1cc(C#N)c(F)cc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212514671 1020589795 /nfs/dbraw/zinc/58/97/95/1020589795.db2.gz GUVFYPIAJCCVFO-UHFFFAOYSA-N -1 0 306.243 3.726 20 30 DHEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1cc(C)ccc1F)CC2 ZINC000734979615 1020678722 /nfs/dbraw/zinc/67/87/22/1020678722.db2.gz BXGJLOXQJLYUAC-DHZHZOJOSA-N -1 0 314.312 3.946 20 30 DHEDRM CC(C)[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1cccnc1 ZINC000177545124 1020704300 /nfs/dbraw/zinc/70/43/00/1020704300.db2.gz IUXRBYBKXBCVLZ-MWJIIQFGSA-N -1 0 313.357 3.554 20 30 DHEDRM CCC(N=Nc1cccnn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000735974631 1020784185 /nfs/dbraw/zinc/78/41/85/1020784185.db2.gz IFFDPPJUKODODA-UHFFFAOYSA-N -1 0 311.172 3.715 20 30 DHEDRM N#CC(=C([O-])C=Cc1cccc(F)c1)c1nc2ccccc2o1 ZINC000066516785 1020903798 /nfs/dbraw/zinc/90/37/98/1020903798.db2.gz PTPYAGLQPPQGIJ-MYSGNRETSA-N -1 0 306.296 3.857 20 30 DHEDRM Cc1ccc(C[C@@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000737440477 1021037494 /nfs/dbraw/zinc/03/74/94/1021037494.db2.gz KKEGJVUPTNTOTJ-MQHRVFIMSA-N -1 0 304.371 3.720 20 30 DHEDRM N#C[C@H](C(=O)c1ccc2c(c1)CCOC2)c1nc(C2CC2)cs1 ZINC000659115927 1021177297 /nfs/dbraw/zinc/17/72/97/1021177297.db2.gz KEMNYWUXHWTAOA-OAHLLOKOSA-N -1 0 324.405 3.583 20 30 DHEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000659168485 1021220665 /nfs/dbraw/zinc/22/06/65/1021220665.db2.gz WNDDHTITKFVIKT-BHDPWAOGSA-N -1 0 307.434 3.519 20 30 DHEDRM C=C(C)C[C@H](C)C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC000659181223 1021232456 /nfs/dbraw/zinc/23/24/56/1021232456.db2.gz DQFPLADXKDYKHJ-XJKSGUPXSA-N -1 0 315.413 3.523 20 30 DHEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)C[C@@H]2C=CCC2)c1C ZINC000069603874 1021241091 /nfs/dbraw/zinc/24/10/91/1021241091.db2.gz HBOMAEOVDLIMHT-OAHLLOKOSA-N -1 0 321.442 3.922 20 30 DHEDRM CC(C)=CC(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069641534 1021287206 /nfs/dbraw/zinc/28/72/06/1021287206.db2.gz YUNCILWBYYDZRA-UHFFFAOYSA-N -1 0 314.215 3.666 20 30 DHEDRM CCO[C@H]1CC(N=Nc2ccc(C(=O)[O-])cc2)C12CCCC2 ZINC000743419374 1021289017 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Cc1ccc(/C=C\C(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)cc1 ZINC000745021873 1021641171 /nfs/dbraw/zinc/64/11/71/1021641171.db2.gz SXAKVADYMDMXQI-IWMPZKFUSA-N -1 0 310.349 3.743 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1CC[C@@H](C)C1 ZINC000776507086 1021717796 /nfs/dbraw/zinc/71/77/96/1021717796.db2.gz MULJQASALMYBBP-UXIGCNINSA-N -1 0 308.381 3.804 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1CC[C@@H](C)C1 ZINC000776507085 1021718177 /nfs/dbraw/zinc/71/81/77/1021718177.db2.gz MULJQASALMYBBP-OSAQELSMSA-N -1 0 308.381 3.804 20 30 DHEDRM O=C(/C=C/c1cccc2c1OCO2)c1ccc([O-])c(Cl)c1 ZINC000119262780 1021790424 /nfs/dbraw/zinc/79/04/24/1021790424.db2.gz XPNABSDWDNEJSZ-GQCTYLIASA-N -1 0 302.713 3.670 20 30 DHEDRM C=CCN(CC1CCCCC1)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851595175 1021951117 /nfs/dbraw/zinc/95/11/17/1021951117.db2.gz NCLXDZAOBNSRIN-PKNBQFBNSA-N -1 0 317.385 3.586 20 30 DHEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)ccn1C ZINC000194890205 1022035380 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O=C([O-])Cc1ccc(C(=O)/C=C/c2ccc(O)c(Cl)c2)cc1 ZINC000921269503 1022240613 /nfs/dbraw/zinc/24/06/13/1022240613.db2.gz NTBKLWPXHUXMLB-XVNBXDOJSA-N -1 0 316.740 3.569 20 30 DHEDRM O=C([O-])c1ccc(N=NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000853354475 1022261771 /nfs/dbraw/zinc/26/17/71/1022261771.db2.gz KZKATHAMVKWOEG-ZJUUUORDSA-N -1 0 315.295 3.546 20 30 DHEDRM CC(C)c1ccc2ncc(C#N)c(N(C)CCCC(=O)[O-])c2c1 ZINC000416422281 1022315885 /nfs/dbraw/zinc/31/58/85/1022315885.db2.gz KKLJKRJQXBFZCY-UHFFFAOYSA-N -1 0 311.385 3.531 20 30 DHEDRM COc1ccc2c(c1)CC/C(=C\c1cc(F)c([O-])c(F)c1)C2=O ZINC000175319889 1022341402 /nfs/dbraw/zinc/34/14/02/1022341402.db2.gz QMOAZVOYPRNOGS-WUXMJOGZSA-N -1 0 316.303 3.892 20 30 DHEDRM COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000615438241 1022474843 /nfs/dbraw/zinc/47/48/43/1022474843.db2.gz QRHNUUZQJXVNQV-UHFFFAOYSA-N -1 0 324.380 3.822 20 30 DHEDRM N#Cc1ccc(C(=O)Nc2ccc(Cl)c3ncccc23)cc1[O-] ZINC000615446211 1022478046 /nfs/dbraw/zinc/47/80/46/1022478046.db2.gz MVLPUHXNHLCIAQ-UHFFFAOYSA-N -1 0 323.739 3.718 20 30 DHEDRM Cc1ccc(C)c2sc(NC(=O)c3ccc(C#N)c([O-])c3)nc21 ZINC000615477582 1022484361 /nfs/dbraw/zinc/48/43/61/1022484361.db2.gz VBWSWYPYKQIBJU-UHFFFAOYSA-N -1 0 323.377 3.743 20 30 DHEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccn1C ZINC000414448593 1022515015 /nfs/dbraw/zinc/51/50/15/1022515015.db2.gz AYTDWKDYKLZVCE-UHFFFAOYSA-N -1 0 318.442 3.678 20 30 DHEDRM CCc1ncc(C([O-])=C(C#N)c2nc3ccccc3s2)s1 ZINC000068412896 1022634996 /nfs/dbraw/zinc/63/49/96/1022634996.db2.gz OXYWCFACKCFIQA-VIFPVBQESA-N -1 0 313.407 3.805 20 30 DHEDRM Cc1cncc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000767365457 1022697789 /nfs/dbraw/zinc/69/77/89/1022697789.db2.gz CKHQDSBFEULLFL-PLNGDYQASA-N -1 0 301.729 3.638 20 30 DHEDRM N#Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c(Cl)c1 ZINC000767690343 1022782712 /nfs/dbraw/zinc/78/27/12/1022782712.db2.gz QAMGCKSPXNYXAM-UHFFFAOYSA-N -1 0 301.689 3.576 20 30 DHEDRM N#Cc1c([O-])csc1Nc1ccc(C2CCOCC2)cc1 ZINC001212651622 1033089865 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COc1cc(C(=O)[O-])ccc1N=NC1CC[C@H]1c1ccccc1 ZINC000769800599 1023217698 /nfs/dbraw/zinc/21/76/98/1023217698.db2.gz YWXSRXHAQFOPLS-AWEZNQCLSA-N -1 0 310.353 3.739 20 30 DHEDRM CN(C)c1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1F ZINC000770111017 1023276920 /nfs/dbraw/zinc/27/69/20/1023276920.db2.gz VOCRJXRFXUOQJC-GFCCVEGCSA-N -1 0 323.327 3.523 20 30 DHEDRM COc1cc(C)ccc1C(=O)/C=C/c1ccc([N+](=O)[O-])c([O-])c1 ZINC000748149193 1023580705 /nfs/dbraw/zinc/58/07/05/1023580705.db2.gz ZUSPXHCMYPXCIR-VMPITWQZSA-N -1 0 313.309 3.514 20 30 DHEDRM CCN(C(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)cc1 ZINC000785511602 1023586124 /nfs/dbraw/zinc/58/61/24/1023586124.db2.gz YJPVTAZPMZEHHV-UHFFFAOYSA-N -1 0 300.745 3.584 20 30 DHEDRM Cc1c2cccc(C)c2oc1C(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC000053797265 1023782091 /nfs/dbraw/zinc/78/20/91/1023782091.db2.gz ZBSPYFGCVFEGJV-UHFFFAOYSA-N -1 0 324.262 3.823 20 30 DHEDRM C[C@H](Oc1cccc(C=NNc2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000746676980 1023785742 /nfs/dbraw/zinc/78/57/42/1023785742.db2.gz 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314.307 3.547 20 30 DHEDRM CC[C@@H](NN=C(C)c1ccc(Cl)c(Cl)c1Cl)C(=O)[O-] ZINC000793077863 1024877966 /nfs/dbraw/zinc/87/79/66/1024877966.db2.gz IWZIPSFXLNHLNA-SECBINFHSA-N -1 0 323.607 3.824 20 30 DHEDRM CC[C@H](NN=Cc1c2ccccc2[nH]c1-c1ccccc1)C(=O)[O-] ZINC000793072951 1024878686 /nfs/dbraw/zinc/87/86/86/1024878686.db2.gz WWNQTGZNFVEKDY-INIZCTEOSA-N -1 0 321.380 3.622 20 30 DHEDRM CC[C@@H](NN=Cc1ccc(Sc2ccccc2)cc1)C(=O)[O-] ZINC000793057612 1024887311 /nfs/dbraw/zinc/88/73/11/1024887311.db2.gz OOBLLCLPNQDLQD-MRXNPFEDSA-N -1 0 314.410 3.625 20 30 DHEDRM CC[C@@H](NN=C/C(C)=C/c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000793059063 1024890328 /nfs/dbraw/zinc/89/03/28/1024890328.db2.gz XYIQDIKQULJCHZ-NGTHWJPYSA-N -1 0 314.307 3.547 20 30 DHEDRM COc1csc(C([O-])=C(C#N)c2ccc3ccccc3n2)c1 ZINC000747104582 1024916706 /nfs/dbraw/zinc/91/67/06/1024916706.db2.gz NVXJEWOECGYDPJ-CYBMUJFWSA-N -1 0 308.362 3.795 20 30 DHEDRM CO[C@@H]1CCCC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)CC1 ZINC000884372616 1025072121 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CCc1ccc(-c2ccc(C([O-])=C(C#N)c3ccncn3)o2)cc1 ZINC000354478608 1025440906 /nfs/dbraw/zinc/44/09/06/1025440906.db2.gz VKWRVKGNYMTMKG-OAHLLOKOSA-N -1 0 317.348 3.789 20 30 DHEDRM O=C(/C=C/C1=Cc2ccccc2OC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000136508117 1025452030 /nfs/dbraw/zinc/45/20/30/1025452030.db2.gz IVCCDENBMJBYFB-FNORWQNLSA-N -1 0 323.304 3.515 20 30 DHEDRM COc1ccc(C)cc1/C=C/C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000136505523 1025452742 /nfs/dbraw/zinc/45/27/42/1025452742.db2.gz QQMCRCYVCUIHDQ-AATRIKPKSA-N -1 0 313.309 3.514 20 30 DHEDRM CCc1c(C([O-])=C(C#N)c2nc3ccccc3s2)ccn1C ZINC000355140273 1025616346 /nfs/dbraw/zinc/61/63/46/1025616346.db2.gz ZNDBKGKFWGAENI-LBPRGKRZSA-N -1 0 309.394 3.687 20 30 DHEDRM N#Cc1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc(F)c1F ZINC001211966624 1025886066 /nfs/dbraw/zinc/88/60/66/1025886066.db2.gz INPMQRLYMQYLSU-UHFFFAOYSA-N -1 0 308.671 3.932 20 30 DHEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\[C@H](C2CC2)C(F)(F)F)c1[O-] ZINC000806552062 1025917318 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Cc1cccc(F)c1NN=Cc1cccc(C(=O)[O-])c1Cl ZINC000814907280 1028277061 /nfs/dbraw/zinc/27/70/61/1028277061.db2.gz BRUBIFKPRWGMGN-UHFFFAOYSA-N -1 0 306.724 3.932 20 30 DHEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)=NOCC(C)C ZINC000814883912 1028281162 /nfs/dbraw/zinc/28/11/62/1028281162.db2.gz HDUAABIFNREPKP-CQSZACIVSA-N -1 0 307.390 3.520 20 30 DHEDRM CC1(C)CCCC[C@H]1NN=Cc1cccc(C(=O)[O-])c1Cl ZINC000814916553 1028298544 /nfs/dbraw/zinc/29/85/44/1028298544.db2.gz BVRYWHIGJFFXJJ-CYBMUJFWSA-N -1 0 308.809 3.931 20 30 DHEDRM CC(=O)c1cc(F)c([O-])c(NC(=O)CC2(C#N)CCCCC2)c1 ZINC000830331197 1028739918 /nfs/dbraw/zinc/73/99/18/1028739918.db2.gz BNNFNMRWPHTRCP-UHFFFAOYSA-N -1 0 318.348 3.537 20 30 DHEDRM Cc1nc(C(C)C)oc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000567307214 1028868667 /nfs/dbraw/zinc/86/86/67/1028868667.db2.gz CHBYQRILMSYSQK-GFCCVEGCSA-N -1 0 322.368 3.781 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1[C@H](C2CC2)[C@@H]1C ZINC000528913257 1028922961 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Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1cnn(C(C)C)c1 ZINC000794933781 1030387468 /nfs/dbraw/zinc/38/74/68/1030387468.db2.gz AQLBHADLZFNJLG-WAYWQWQTSA-N -1 0 312.369 3.675 20 30 DHEDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C1\CCc2cc(O)ccc2C1=O ZINC000794934988 1030387795 /nfs/dbraw/zinc/38/77/95/1030387795.db2.gz OHPAFXVQEPZMHC-RIYZIHGNSA-N -1 0 322.360 3.920 20 30 DHEDRM CCc1cccc(F)c1/C=C\C(=O)c1ccc(CC(=O)[O-])cc1 ZINC000794937427 1030419019 /nfs/dbraw/zinc/41/90/19/1030419019.db2.gz IRYMMFKWLYNDHA-KHPPLWFESA-N -1 0 312.340 3.911 20 30 DHEDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C1\Cc2cc(O)ccc2C1=O ZINC000794945677 1030427914 /nfs/dbraw/zinc/42/79/14/1030427914.db2.gz NXJZOCJGLNFCNN-MKMNVTDBSA-N -1 0 308.333 3.530 20 30 DHEDRM CCc1ccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)s1 ZINC000018065741 1030924461 /nfs/dbraw/zinc/92/44/61/1030924461.db2.gz UPRNGVUEZMVQBX-QPJJXVBHSA-N -1 0 303.339 3.820 20 30 DHEDRM COc1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])c(Cl)c1 ZINC000757471574 1031157654 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CC(C)c1csc(C(C#N)=C([O-])c2ccccc2[N+](=O)[O-])n1 ZINC000080455338 1031367135 /nfs/dbraw/zinc/36/71/35/1031367135.db2.gz VXSUTCDBAMSEHW-LLVKDONJSA-N -1 0 315.354 3.665 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845438283 1031582477 /nfs/dbraw/zinc/58/24/77/1031582477.db2.gz QHAKUZLAPFOBNZ-ARFHVFGLSA-N -1 0 320.392 3.804 20 30 DHEDRM CC(=NNC[C@@H]1CCCC1(F)F)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000872407760 1031600810 /nfs/dbraw/zinc/60/08/10/1031600810.db2.gz ZXDDIWDSRDFKPX-XQQFMLRXSA-N -1 0 316.392 3.524 20 30 DHEDRM Cc1cccc2sc(N=NC3CC[C@@H](C(=O)[O-])C[C@@H]3C)nc21 ZINC000872419646 1031605192 /nfs/dbraw/zinc/60/51/92/1031605192.db2.gz PRYZMLQPDMVCAC-WDEREUQCSA-N -1 0 317.414 3.893 20 30 DHEDRM N#CC(=C([O-])c1sc2ccccc2c1Cl)c1ccncn1 ZINC000760348118 1031671917 /nfs/dbraw/zinc/67/19/17/1031671917.db2.gz ZMDHOQPFERNIKJ-JTQLQIEISA-N -1 0 313.769 3.835 20 30 DHEDRM Cc1cscc1C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845842885 1031725606 /nfs/dbraw/zinc/72/56/06/1031725606.db2.gz WVNXKDDHIBOVDM-CQSZACIVSA-N -1 0 309.390 3.680 20 30 DHEDRM CCCc1occc1C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845845271 1031727500 /nfs/dbraw/zinc/72/75/00/1031727500.db2.gz NBNWGHBFPXBUBM-INIZCTEOSA-N -1 0 321.376 3.855 20 30 DHEDRM CC(C)[C@@H](C)C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845835703 1031733439 /nfs/dbraw/zinc/73/34/39/1031733439.db2.gz CVGNDJDYOPKTKH-YPMHNXCESA-N -1 0 303.427 3.811 20 30 DHEDRM CS[C@H](C)CC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845837786 1031736221 /nfs/dbraw/zinc/73/62/21/1031736221.db2.gz PJURBDHDSMXFCW-PWSUYJOCSA-N -1 0 321.467 3.660 20 30 DHEDRM Cc1cc(C(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)ccn1 ZINC000845835170 1031736385 /nfs/dbraw/zinc/73/63/85/1031736385.db2.gz WIUICFUFTZEYLY-AWEZNQCLSA-N -1 0 324.405 3.536 20 30 DHEDRM CCCC=CC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845837494 1031737506 /nfs/dbraw/zinc/73/75/06/1031737506.db2.gz ORGVSDIRNXJDEX-IBSXUBTNSA-N -1 0 301.411 3.875 20 30 DHEDRM Cc1cc(C)c(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)o1 ZINC000845842090 1031741362 /nfs/dbraw/zinc/74/13/62/1031741362.db2.gz RGFDUKBWQRTWPL-OAHLLOKOSA-N -1 0 307.349 3.520 20 30 DHEDRM Cc1cccc(C=NNc2ccccc2C(=O)[O-])c1OC(F)F ZINC000777880317 1031756081 /nfs/dbraw/zinc/75/60/81/1031756081.db2.gz SXLLTGDFSRNFNL-UHFFFAOYSA-N -1 0 320.295 3.741 20 30 DHEDRM C=C(C)CO[N-]C(=O)C1(c2ccccc2OC)CCCCC1 ZINC001144639864 1031774841 /nfs/dbraw/zinc/77/48/41/1031774841.db2.gz FACMGZSGBDBWKM-UHFFFAOYSA-N -1 0 303.402 3.521 20 30 DHEDRM CC(C)n1cc(C([O-])=C(C#N)c2nccc3ccccc32)cn1 ZINC000361523536 1031970157 /nfs/dbraw/zinc/97/01/57/1031970157.db2.gz FIXLKNQHFYXEOY-INIZCTEOSA-N -1 0 304.353 3.502 20 30 DHEDRM CCOc1ncccc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000361541570 1031980089 /nfs/dbraw/zinc/98/00/89/1031980089.db2.gz QSORREPCSLMEKP-INIZCTEOSA-N -1 0 317.348 3.519 20 30 DHEDRM C=C[C@@H](C)O[N-]C(=O)C1(c2c(Cl)cccc2Cl)CC1 ZINC000846549541 1031998405 /nfs/dbraw/zinc/99/84/05/1031998405.db2.gz YSYVOELZZBYGGY-SECBINFHSA-N -1 0 300.185 3.647 20 30 DHEDRM C=C(C)CO[N-]C(=O)C1(c2c(Cl)cccc2Cl)CC1 ZINC000846536497 1032004172 /nfs/dbraw/zinc/00/41/72/1032004172.db2.gz NYCSEBDPPFVUSU-UHFFFAOYSA-N -1 0 300.185 3.649 20 30 DHEDRM CCc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1Cl ZINC000553569012 1033741746 /nfs/dbraw/zinc/74/17/46/1033741746.db2.gz VGRLMMOFVSDFJL-UHFFFAOYSA-N -1 0 300.745 3.732 20 30 DHEDRM Oc1ccc(Cl)cc1/C=N/[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000127689146 1033994938 /nfs/dbraw/zinc/99/49/38/1033994938.db2.gz OFJODXAUECVSJJ-CUUNBHRASA-N -1 0 311.834 3.519 20 30 DHEDRM CC(C)Oc1ccc(NCc2ccc(F)c(F)c2[O-])cc1C#N ZINC000864038997 1034269859 /nfs/dbraw/zinc/26/98/59/1034269859.db2.gz IJSCYKPMFJNGBW-UHFFFAOYSA-N -1 0 318.323 3.941 20 30 DHEDRM CCCCCCCC[C@@H](C)C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC000864211316 1034303895 /nfs/dbraw/zinc/30/38/95/1034303895.db2.gz KTICPTGIMJMKGK-BASYENTBSA-N -1 0 309.450 3.743 20 30 DHEDRM CCC(=O)c1ccc([O-])c(NC(=O)C=Cc2ccccc2C#N)c1 ZINC000794624209 1034318295 /nfs/dbraw/zinc/31/82/95/1034318295.db2.gz OEJDRKWAIMYIHE-NTMALXAHSA-N -1 0 320.348 3.508 20 30 DHEDRM C=CCC[C@H](C(=O)[N-]OCc1cccc(C)n1)c1ccccc1 ZINC000898932480 1034334190 /nfs/dbraw/zinc/33/41/90/1034334190.db2.gz NJCNJZWZWWTHAG-SFHVURJKSA-N -1 0 310.397 3.688 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1Nc1cccc(C(C)(C)C#N)c1 ZINC001174677445 1034544941 /nfs/dbraw/zinc/54/49/41/1034544941.db2.gz XUWWJKKXYBAFMN-UHFFFAOYSA-N -1 0 310.353 3.938 20 30 DHEDRM COc1cc(Nc2c(C#N)oc3ccccc32)ccc1C(=O)[O-] ZINC001174682146 1034547325 /nfs/dbraw/zinc/54/73/25/1034547325.db2.gz FRZZZRYNUPEAJR-UHFFFAOYSA-N -1 0 308.293 3.755 20 30 DHEDRM COc1cc(Nc2sc3c(c2C#N)CCC3)ccc1C(=O)[O-] ZINC001174681756 1034548076 /nfs/dbraw/zinc/54/80/76/1034548076.db2.gz ZLCUACWZASKPGS-UHFFFAOYSA-N -1 0 314.366 3.559 20 30 DHEDRM Cn1nc2c(c1/C=C/C(=O)c1ccc([O-])c(Cl)c1)CCCC2 ZINC000865225277 1034554466 /nfs/dbraw/zinc/55/44/66/1034554466.db2.gz ZULJBIXURWGSBY-VQHVLOKHSA-N -1 0 316.788 3.554 20 30 DHEDRM 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C=C(CCC(=O)[O-])C(=O)N(CC(C)C)c1ccc(C)cc1C ZINC001588612335 983702585 /nfs/dbraw/zinc/70/25/85/983702585.db2.gz NILOVGLFGDCLAH-UHFFFAOYSA-N -1 0 303.402 3.713 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N(CCc1ccccc1)c1ccccc1 ZINC001588612631 983703664 /nfs/dbraw/zinc/70/36/64/983703664.db2.gz UUXFIXCVFJSUDH-UHFFFAOYSA-N -1 0 323.392 3.683 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(Cl)ccc1NCCC ZINC001588629328 983736573 /nfs/dbraw/zinc/73/65/73/983736573.db2.gz HBPCABUBEDKBQZ-UHFFFAOYSA-N -1 0 310.781 3.521 20 30 DHEDRM C=CC(C)(C)CC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001588673096 983828241 /nfs/dbraw/zinc/82/82/41/983828241.db2.gz IQACYVNDXOWFQA-UHFFFAOYSA-N -1 0 310.419 3.680 20 30 DHEDRM C=C[C@H](CC)CC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001588691131 983878194 /nfs/dbraw/zinc/87/81/94/983878194.db2.gz RQTJARMUSQYVKH-CYBMUJFWSA-N -1 0 316.401 3.526 20 30 DHEDRM C=C[C@H](Sc1nccn1-c1cccc(Cl)c1C)C(=O)[O-] ZINC001588715533 983955540 /nfs/dbraw/zinc/95/55/40/983955540.db2.gz YOPXWACUWUMIEO-LBPRGKRZSA-N 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C=CC[C@H]1CCN(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C1 ZINC001588772888 984145194 /nfs/dbraw/zinc/14/51/94/984145194.db2.gz PFKCZGLLNROJIE-ZDUSSCGKSA-N -1 0 324.380 3.968 20 30 DHEDRM C=CCC[C@@H](C(=O)OCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001588776781 984153693 /nfs/dbraw/zinc/15/36/93/984153693.db2.gz GPMOBZLUTCFMMQ-OAHLLOKOSA-N -1 0 314.337 3.771 20 30 DHEDRM C=CCC[C@H](C(=O)OCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC001588776931 984154584 /nfs/dbraw/zinc/15/45/84/984154584.db2.gz NKYIHJDNRVEJOV-INIZCTEOSA-N -1 0 314.337 3.771 20 30 DHEDRM C=CCC[C@@H](C(=O)Nc1cc(C)c(C(=O)[O-])cn1)c1ccccc1 ZINC001588777212 984155572 /nfs/dbraw/zinc/15/55/72/984155572.db2.gz XAQWZYGRQMQYDO-OAHLLOKOSA-N -1 0 324.380 3.777 20 30 DHEDRM C=CCC[C@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001588781693 984167337 /nfs/dbraw/zinc/16/73/37/984167337.db2.gz DTWLZUGVJMLBFK-AWEZNQCLSA-N -1 0 302.374 3.656 20 30 DHEDRM C=CCCC[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1CC ZINC001588782511 984173029 /nfs/dbraw/zinc/17/30/29/984173029.db2.gz 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ZINC001588793421 984218861 /nfs/dbraw/zinc/21/88/61/984218861.db2.gz XNZVYAQFMDQCGR-INIZCTEOSA-N -1 0 324.380 3.607 20 30 DHEDRM C=CCN(Cc1cccc(C#N)c1)[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001588832489 984322894 /nfs/dbraw/zinc/32/28/94/984322894.db2.gz HJFBGMKDHJWJHQ-AWEZNQCLSA-N -1 0 324.380 3.907 20 30 DHEDRM Cc1[nH]c2ccc(OCc3cccc(C(=O)[O-])c3C#N)cc2c1C ZINC001599966125 985909183 /nfs/dbraw/zinc/90/91/83/985909183.db2.gz HPBDCLVXVBOTGQ-UHFFFAOYSA-N -1 0 320.348 3.934 20 30 DHEDRM CCOc1ccc(O)c(/C=N\[C@@H](CC2CCCCC2)C(=O)[O-])c1 ZINC001597130860 986853567 /nfs/dbraw/zinc/85/35/67/986853567.db2.gz YHIZIANNDSDTSP-JJBLJPBOSA-N -1 0 319.401 3.633 20 30 DHEDRM C[C@@H](NCc1cccc(C(=O)[O-])c1C#N)c1cccc(Cl)c1 ZINC001599841832 988851417 /nfs/dbraw/zinc/85/14/17/988851417.db2.gz PSQHPWUBOYTXGP-LLVKDONJSA-N -1 0 314.772 3.761 20 30 DHEDRM CC(C)(CC=NOCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001590654865 990349926 /nfs/dbraw/zinc/34/99/26/990349926.db2.gz WIGQLUHDNAXTNT-UHFFFAOYSA-N -1 0 303.280 3.709 20 30 DHEDRM CC(C)(CCC#N)COC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001590656660 990356678 /nfs/dbraw/zinc/35/66/78/990356678.db2.gz ZQVXCTVDLHWUCC-UHFFFAOYSA-N -1 0 309.749 3.525 20 30 DHEDRM C[C@H]1CCC[C@@H](CC(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)C1 ZINC000329095035 1015639522 /nfs/dbraw/zinc/63/95/22/1015639522.db2.gz KQNFZNHTJKSOFW-NWDGAFQWSA-N -1 0 314.389 3.982 20 30 DHEDRM C[C@@H]1CCC[C@@H](C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)C1 ZINC000329087467 1015638214 /nfs/dbraw/zinc/63/82/14/1015638214.db2.gz HJJIFTOIBHSHIT-ZYHUDNBSSA-N -1 0 300.362 3.592 20 30 DHEDRM CN(Cc1csc2ccccc12)c1ccc(C(=O)[O-])nc1C#N ZINC001598535917 992839466 /nfs/dbraw/zinc/83/94/66/992839466.db2.gz GCIWRXNSBADVCI-UHFFFAOYSA-N -1 0 323.377 3.503 20 30 DHEDRM COc1ccc2c(c1)C(C)(C)/C(=C/c1cc(C(=O)[O-])co1)C2=O ZINC001599625033 994136522 /nfs/dbraw/zinc/13/65/22/994136522.db2.gz LJSQBXOBRYRAOU-OVCLIPMQSA-N -1 0 312.321 3.544 20 30 DHEDRM COc1cccc(/C=C\C(=O)c2ccc(Cl)cc2C(=O)[O-])c1 ZINC001599663866 994698121 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Cc1c(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)ccn1C ZINC000684948376 1017074652 /nfs/dbraw/zinc/07/46/52/1017074652.db2.gz BSISVSMHKVQTIK-LBPRGKRZSA-N -1 0 313.357 3.572 20 30 DHEDRM CCCCC[C@H]1CCCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C ZINC001148506116 1032411090 /nfs/dbraw/zinc/41/10/90/1032411090.db2.gz TZFBOZBGWSUDRS-HNNXBMFYSA-N -1 0 315.417 3.542 20 30 DHEDRM Cc1c(F)c(C)c(F)c(C(=O)Nc2ccc(C#N)cc2O)c1F ZINC001148762284 1032442347 /nfs/dbraw/zinc/44/23/47/1032442347.db2.gz WVILSTJZHRCUDA-UHFFFAOYSA-N -1 0 320.270 3.550 20 30 DHEDRM N#Cc1cc[nH]c1NC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148860991 1032449465 /nfs/dbraw/zinc/44/94/65/1032449465.db2.gz FZBRHRFSOIZOGR-UHFFFAOYSA-N -1 0 303.321 3.511 20 30 DHEDRM CC(C)c1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C)s1 ZINC000122218629 1032515139 /nfs/dbraw/zinc/51/51/39/1032515139.db2.gz VXUILOTWXBXLSC-NSHDSACASA-N -1 0 324.409 3.643 20 30 DHEDRM CC(C)S(=O)(=O)[N-]C(=O)[C@H](C)Sc1ccccc1Cl ZINC000049418185 1011899994 /nfs/dbraw/zinc/89/99/94/1011899994.db2.gz 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ZINC000514972066 1012521368 /nfs/dbraw/zinc/52/13/68/1012521368.db2.gz JLEXLBNBKNUCEE-GFCCVEGCSA-N -1 0 322.478 3.511 20 30 DHEDRM COc1ccc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)cc1F ZINC000255004556 1012742246 /nfs/dbraw/zinc/74/22/46/1012742246.db2.gz WMOUJAOIYNNVQW-RQOWECAXSA-N -1 0 308.255 3.714 20 30 DHEDRM N#CC(=C([O-])c1cccc(F)c1)c1nc(-c2ccncc2)cs1 ZINC000114619700 1018106292 /nfs/dbraw/zinc/10/62/92/1018106292.db2.gz KZBNRNYASJFRFF-AWEZNQCLSA-N -1 0 323.352 3.834 20 30 DHEDRM COc1ccsc1C=NNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000764649620 1018342487 /nfs/dbraw/zinc/34/24/87/1018342487.db2.gz QYTNTKACZPPRSY-UHFFFAOYSA-N -1 0 310.762 3.554 20 30 DHEDRM CCC(N=Nc1cc(Cl)nc(C)n1)c1ccc(O)c(F)c1 ZINC000764690787 1018348058 /nfs/dbraw/zinc/34/80/58/1018348058.db2.gz XLDIYAIMVGKNRP-UHFFFAOYSA-N -1 0 308.744 3.509 20 30 DHEDRM C=C(C)[C@@H](Cc1nc(-c2ccc(O)cc2Cl)no1)OCC ZINC000278296607 1018530193 /nfs/dbraw/zinc/53/01/93/1018530193.db2.gz XDYCZUAOYCILSQ-CYBMUJFWSA-N -1 0 308.765 3.619 20 30 DHEDRM COCC[C@@H](Cc1cccc(-c2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000583575603 1018573316 /nfs/dbraw/zinc/57/33/16/1018573316.db2.gz LVVZJEHUTQBMRE-SFHVURJKSA-N -1 0 309.365 3.505 20 30 DHEDRM Cc1cc(C(C#N)=C([O-])c2ccc(-c3ccco3)s2)nc(C)n1 ZINC000675907281 1018629460 /nfs/dbraw/zinc/62/94/60/1018629460.db2.gz SBSXHMAHWLUSTC-GFCCVEGCSA-N -1 0 323.377 3.905 20 30 DHEDRM CC(C)(C)C1CCC(C#N)(NC(=O)c2cccc(F)c2[O-])CC1 ZINC001128251465 1019248649 /nfs/dbraw/zinc/24/86/49/1019248649.db2.gz PMUNTFDWBCURSI-UHFFFAOYSA-N -1 0 318.392 3.760 20 30 DHEDRM O=C(C=Cc1ccc(Oc2cnccn2)cc1)c1sccc1[O-] ZINC000588599144 1019284861 /nfs/dbraw/zinc/28/48/61/1019284861.db2.gz QESRNADORTWHFP-UTCJRWHESA-N -1 0 324.361 3.932 20 30 DHEDRM O=C(/C=C\c1cc(Cl)cs1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000588601116 1019329111 /nfs/dbraw/zinc/32/91/11/1019329111.db2.gz HTZIOUZVUDGSEL-RQOWECAXSA-N -1 0 309.730 3.911 20 30 DHEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2CC=CCC2)c1C ZINC000069603807 1019331443 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Cc1cc(C(=O)[O-])ccc1Nc1cccc(C#CC(C)(C)O)c1 ZINC001211626528 1019960792 /nfs/dbraw/zinc/96/07/92/1019960792.db2.gz JOUCPAZOMZPRDO-UHFFFAOYSA-N -1 0 309.365 3.559 20 30 DHEDRM COc1ccc(C)cc1C(=O)/C=C\c1cc(F)c([O-])c(F)c1 ZINC000255615450 1019992769 /nfs/dbraw/zinc/99/27/69/1019992769.db2.gz GMWORWDLBTXWAI-PLNGDYQASA-N -1 0 304.292 3.884 20 30 DHEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(Cl)s1 ZINC000255625134 1020043119 /nfs/dbraw/zinc/04/31/19/1020043119.db2.gz FNJSFHVYMGNUBY-RQOWECAXSA-N -1 0 309.730 3.911 20 30 DHEDRM Cc1cc(N=NC(C)c2ccc(Cl)c(Cl)c2[O-])ncn1 ZINC000731935552 1020179047 /nfs/dbraw/zinc/17/90/47/1020179047.db2.gz FUAKSJGARHSPLX-UHFFFAOYSA-N -1 0 311.172 3.634 20 30 DHEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1sccc1C(C)C ZINC000065763318 1020189386 /nfs/dbraw/zinc/18/93/86/1020189386.db2.gz JMQPMOIXUSYLRZ-UHFFFAOYSA-N -1 0 323.439 3.873 20 30 DHEDRM COc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)o1 ZINC000654991781 1020202586 /nfs/dbraw/zinc/20/25/86/1020202586.db2.gz 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CCCn1c(C=NNc2cccc(C(=O)[O-])c2)nc2ccccc21 ZINC000917530989 1021294139 /nfs/dbraw/zinc/29/41/39/1021294139.db2.gz MYZTXNPTZUSZJT-UHFFFAOYSA-N -1 0 322.368 3.591 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H](C)c1ccco1 ZINC000744016514 1021407841 /nfs/dbraw/zinc/40/78/41/1021407841.db2.gz NVKVXDDOPGRYQI-RISCZKNCSA-N -1 0 320.348 3.765 20 30 DHEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000033474223 1021458760 /nfs/dbraw/zinc/45/87/60/1021458760.db2.gz FLYLZRXQAQRZHO-XQRVVYSFSA-N -1 0 303.701 3.850 20 30 DHEDRM CCC(CC)[C@@H]1C[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC000182048864 1021460662 /nfs/dbraw/zinc/46/06/62/1021460662.db2.gz VKBHGMANHLAXQB-LHEZXGLHSA-N -1 0 320.389 3.703 20 30 DHEDRM Cn1cc(/C=C/C(=O)c2ccc([O-])c(Cl)c2)c(C(C)(C)C)n1 ZINC000119270450 1021789571 /nfs/dbraw/zinc/78/95/71/1021789571.db2.gz QQXWXEYODRVTLA-VOTSOKGWSA-N -1 0 318.804 3.973 20 30 DHEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1O ZINC000620305843 1022125148 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O=C([N-][C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)C(F)F ZINC000787511584 1023797645 /nfs/dbraw/zinc/79/76/45/1023797645.db2.gz UUOFOLCXBWBGBN-ZETCQYMHSA-N -1 0 321.167 3.690 20 30 DHEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2ccccc2c1 ZINC000125672247 1023909327 /nfs/dbraw/zinc/90/93/27/1023909327.db2.gz DKZPRPLFFCURGT-GOSISDBHSA-N -1 0 322.408 3.859 20 30 DHEDRM O=C([O-])[C@H]1CCC(N=Nc2cc(Cl)ccn2)c2ccccc21 ZINC000789036559 1023977667 /nfs/dbraw/zinc/97/76/67/1023977667.db2.gz GINZEHGDISTXCA-ZDUSSCGKSA-N -1 0 315.760 3.513 20 30 DHEDRM O=C(/C=C/c1cnc(-c2ccco2)s1)c1ccc(O)cc1[O-] ZINC000789143752 1024006592 /nfs/dbraw/zinc/00/65/92/1024006592.db2.gz RQVRQQXUHIXSJW-GQCTYLIASA-N -1 0 313.334 3.710 20 30 DHEDRM CSc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000129531723 1024009262 /nfs/dbraw/zinc/00/92/62/1024009262.db2.gz JARMRIPHSRXHMB-YCRREMRBSA-N -1 0 315.350 3.918 20 30 DHEDRM N#CC(=C([O-])c1nc(Cl)cs1)c1ccc2ccccc2n1 ZINC000789398688 1024072359 /nfs/dbraw/zinc/07/23/59/1024072359.db2.gz ADWOJIQJRMEQAH-SNVBAGLBSA-N -1 0 313.769 3.835 20 30 DHEDRM N#CC(=C([O-])c1nc(Cl)cs1)c1nc2ccccc2s1 ZINC000789401095 1024075593 /nfs/dbraw/zinc/07/55/93/1024075593.db2.gz YAMAOIUCZCJLLS-ZETCQYMHSA-N -1 0 319.798 3.896 20 30 DHEDRM N#Cc1cccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000130162784 1024136911 /nfs/dbraw/zinc/13/69/11/1024136911.db2.gz MTKHIMIFHLPTKX-UHFFFAOYSA-N -1 0 307.136 3.823 20 30 DHEDRM O=C(/C=C\c1ccnn1-c1ccccc1)c1cc(F)ccc1[O-] ZINC000790600111 1024333717 /nfs/dbraw/zinc/33/37/17/1024333717.db2.gz HOJOYQVLBAMOAJ-CLFYSBASSA-N -1 0 308.312 3.613 20 30 DHEDRM Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c(C)[nH]1 ZINC000604005414 1024363166 /nfs/dbraw/zinc/36/31/66/1024363166.db2.gz DBKQOSGKASQVDZ-CQSZACIVSA-N -1 0 322.393 3.640 20 30 DHEDRM C=CCN(CCc1ccccc1)C(=O)c1cc(F)cc(F)c1[O-] ZINC001626290019 1024387789 /nfs/dbraw/zinc/38/77/89/1024387789.db2.gz RWQOSSIKFYQNQG-UHFFFAOYSA-N -1 0 317.335 3.541 20 30 DHEDRM CCCCCCCC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000131720050 1024428301 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Cc1noc(C(F)F)c1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000610432095 1024858820 /nfs/dbraw/zinc/85/88/20/1024858820.db2.gz CLFRWVLHMZCPIO-UHFFFAOYSA-N -1 0 323.324 3.595 20 30 DHEDRM CC[C@H](NN=Cc1ccc(-c2ccccc2Cl)s1)C(=O)[O-] ZINC000793073008 1024877035 /nfs/dbraw/zinc/87/70/35/1024877035.db2.gz XQFHKQNXOHMTDU-ZDUSSCGKSA-N -1 0 322.817 3.855 20 30 DHEDRM CC[C@H](NN=C/C(C)=C/c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000793072442 1024877316 /nfs/dbraw/zinc/87/73/16/1024877316.db2.gz SNBOFARRZMVWCP-CQDDBJTOSA-N -1 0 314.307 3.547 20 30 DHEDRM CC1(C)CCC(C)(CNC(=O)c2ccc(C#N)c(O)c2)CC1 ZINC001299419015 1024895270 /nfs/dbraw/zinc/89/52/70/1024895270.db2.gz ZLDCOFPMNXDLHW-UHFFFAOYSA-N -1 0 300.402 3.600 20 30 DHEDRM O=C([O-])c1ccc(C(=O)/C=C\c2cccc(-n3cccn3)c2)s1 ZINC000760261993 1025250502 /nfs/dbraw/zinc/25/05/02/1025250502.db2.gz IEJWSTYTCSOURO-WAYWQWQTSA-N -1 0 324.361 3.528 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])C2=Cc3ccccc3OC2)n1 ZINC000747197320 1025357818 /nfs/dbraw/zinc/35/78/18/1025357818.db2.gz XESQDTPFUNDPNF-CQSZACIVSA-N -1 0 324.405 3.919 20 30 DHEDRM CC(C)SCC/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000804599158 1025394037 /nfs/dbraw/zinc/39/40/37/1025394037.db2.gz VVJRGNLMUWJORD-AUWJEWJLSA-N -1 0 302.783 3.514 20 30 DHEDRM N#CC(=C([O-])c1csc(Cc2ccccc2)n1)c1ccccn1 ZINC000041480326 1025404371 /nfs/dbraw/zinc/40/43/71/1025404371.db2.gz MFMNBQVJVSCPOY-CQSZACIVSA-N -1 0 319.389 3.619 20 30 DHEDRM Cc1c2ccc(F)cc2sc1C([O-])=C(C#N)c1ccncn1 ZINC000805917276 1025709631 /nfs/dbraw/zinc/70/96/31/1025709631.db2.gz GSJOTBWPNUCYPJ-LBPRGKRZSA-N -1 0 311.341 3.629 20 30 DHEDRM Cc1ccc([N-]c2onc(C(C)(C)C)c2C#N)c([N+](=O)[O-])c1 ZINC001214167654 1025821266 /nfs/dbraw/zinc/82/12/66/1025821266.db2.gz RTMXYPSQIFJNJO-UHFFFAOYSA-N -1 0 300.318 3.804 20 30 DHEDRM O=C(C=Cc1cc(Cl)c([O-])cc1Cl)c1cc[nH]c(=O)c1 ZINC000806555732 1025919987 /nfs/dbraw/zinc/91/99/87/1025919987.db2.gz HUWOOOLFVJHTRA-UPHRSURJSA-N -1 0 310.136 3.696 20 30 DHEDRM CCn1nc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)c2ccccc21 ZINC000806558963 1025921083 /nfs/dbraw/zinc/92/10/83/1025921083.db2.gz QOAYYLKCMZQTIO-ZHACJKMWSA-N -1 0 320.348 3.651 20 30 DHEDRM O=C([O-])[C@H]1C/C(=C/c2c(F)cccc2F)C(=O)c2ccccc21 ZINC000806559775 1025921259 /nfs/dbraw/zinc/92/12/59/1025921259.db2.gz FPYAMBPXSFSDBT-XPSMFNQNSA-N -1 0 314.287 3.803 20 30 DHEDRM O=C([O-])c1cccc(C(=O)/C=C/c2ccc(O)c(Cl)c2)c1 ZINC000806559416 1025921463 /nfs/dbraw/zinc/92/14/63/1025921463.db2.gz ZWMVBVKUAMDOTN-GQCTYLIASA-N -1 0 302.713 3.640 20 30 DHEDRM O=C([O-])c1cccc(C(=O)/C=C\c2cc(-n3ccnc3)cs2)c1 ZINC000806558542 1025921887 /nfs/dbraw/zinc/92/18/87/1025921887.db2.gz FZTABLNKTPLCCS-PLNGDYQASA-N -1 0 324.361 3.528 20 30 DHEDRM O=C([O-])c1cccc(C(=O)/C=C/c2ccccc2OC(F)F)c1 ZINC000806558916 1025922458 /nfs/dbraw/zinc/92/24/58/1025922458.db2.gz PIIBNWZUGPRWFH-CMDGGOBGSA-N -1 0 318.275 3.882 20 30 DHEDRM COc1ccc(/C=C2\C[C@@H](C(=O)[O-])c3ccccc3C2=O)cc1 ZINC000806563347 1025923129 /nfs/dbraw/zinc/92/31/29/1025923129.db2.gz VFTVXEBAWLJBFD-JIIJFUIFSA-N -1 0 308.333 3.533 20 30 DHEDRM O=C([O-])[C@@H]1C/C(=C\c2ccc(F)c(F)c2)C(=O)c2ccccc21 ZINC000806561188 1025923782 /nfs/dbraw/zinc/92/37/82/1025923782.db2.gz SDYABNBTPBYEAS-DPQIITEBSA-N -1 0 314.287 3.803 20 30 DHEDRM COc1ccc(O)c(C(=O)/C=C/c2cnc(Cl)c(C)c2)c1 ZINC000760265481 1025942683 /nfs/dbraw/zinc/94/26/83/1025942683.db2.gz OOJWPSLJIKTFAC-HWKANZROSA-N -1 0 303.745 3.654 20 30 DHEDRM O=C(/C=C\c1cccc(-n2cccn2)c1)c1cc(F)ccc1[O-] ZINC000760266161 1025974332 /nfs/dbraw/zinc/97/43/32/1025974332.db2.gz SIWMSWGIUWNRAP-ALCCZGGFSA-N -1 0 308.312 3.613 20 30 DHEDRM N#Cc1cc(O)cc(C(=O)N2CCCCC[C@H]2c2ccco2)c1 ZINC000614300796 1026058578 /nfs/dbraw/zinc/05/85/78/1026058578.db2.gz TWBLWXWCLNLNQK-INIZCTEOSA-N -1 0 310.353 3.614 20 30 DHEDRM N#Cc1cccc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000807838016 1026132139 /nfs/dbraw/zinc/13/21/39/1026132139.db2.gz HKHTUSUUDPSCSB-UHFFFAOYSA-N -1 0 321.163 3.501 20 30 DHEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1cc(Cl)cc(C)c1O ZINC000807944079 1026156512 /nfs/dbraw/zinc/15/65/12/1026156512.db2.gz RKOIBCPOGVSBSV-UHFFFAOYSA-N -1 0 318.760 3.888 20 30 DHEDRM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000280035757 1026577563 /nfs/dbraw/zinc/57/75/63/1026577563.db2.gz ZCOMLFWIGWAVIK-NOZJJQNGSA-N -1 0 316.184 3.619 20 30 DHEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@](C)(CC)CCCCC)CC1 ZINC000810985790 1026907603 /nfs/dbraw/zinc/90/76/03/1026907603.db2.gz HAQLIIJSCJZJTM-HNNXBMFYSA-N -1 0 315.479 3.538 20 30 DHEDRM CCC[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000046708714 1027434677 /nfs/dbraw/zinc/43/46/77/1027434677.db2.gz UHIWWLSFQYSOPI-MRXNPFEDSA-N -1 0 317.410 3.916 20 30 DHEDRM CC[C@H](C)CON=c1[n-]c2c(c(C#N)c1C#N)CCCCCC2 ZINC000813622269 1027684684 /nfs/dbraw/zinc/68/46/84/1027684684.db2.gz NHMRIKJNJNNROM-ZDUSSCGKSA-N -1 0 312.417 3.874 20 30 DHEDRM N#Cc1ccc(-c2cccc(C3(C(=O)[O-])CCCC3)c2)c(CO)c1 ZINC000577411165 1027763580 /nfs/dbraw/zinc/76/35/80/1027763580.db2.gz GLQAXCSKEVPSRI-UHFFFAOYSA-N -1 0 321.376 3.614 20 30 DHEDRM N#CC1(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCCC1 ZINC000600871551 1027880418 /nfs/dbraw/zinc/88/04/18/1027880418.db2.gz ALBPEOUUGKAKLQ-UHFFFAOYSA-N -1 0 308.337 3.560 20 30 DHEDRM O=C([N-]S(=O)(=O)c1cccs1)c1cccc2ccccc21 ZINC000048427127 1028073510 /nfs/dbraw/zinc/07/35/10/1028073510.db2.gz TVMWNHUZABWAPS-UHFFFAOYSA-N -1 0 317.391 3.595 20 30 DHEDRM Cc1oc(C)c(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)c1C ZINC000048530556 1028128311 /nfs/dbraw/zinc/12/83/11/1028128311.db2.gz FCBPGXYTPXBXCO-KTKRTIGZSA-N -1 0 319.382 3.510 20 30 DHEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1F)c1ccccc1 ZINC000048587565 1028157866 /nfs/dbraw/zinc/15/78/66/1028157866.db2.gz LYHZNJCFQJBPLR-LBPRGKRZSA-N -1 0 321.373 3.665 20 30 DHEDRM C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1)c1ccccc1 ZINC000048595046 1028161537 /nfs/dbraw/zinc/16/15/37/1028161537.db2.gz BDKQCTIMBLYVLU-CQSZACIVSA-N -1 0 317.410 3.667 20 30 DHEDRM CC(C)[C@@H]1CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)CS1 ZINC000814690186 1028170554 /nfs/dbraw/zinc/17/05/54/1028170554.db2.gz XHSSYBYOWUWEQG-ZDUSSCGKSA-N -1 0 312.822 3.968 20 30 DHEDRM O=C([O-])c1cccc(C=NNc2cccc(Br)c2)c1 ZINC000814786388 1028217958 /nfs/dbraw/zinc/21/79/58/1028217958.db2.gz HIYIQORYGRCFNG-UHFFFAOYSA-N -1 0 319.158 3.593 20 30 DHEDRM CC(CCCCCCC(=O)[O-])N=Nc1cnc2ccccc2n1 ZINC000814830356 1028233062 /nfs/dbraw/zinc/23/30/62/1028233062.db2.gz IKOPBBJKPJWKKT-UHFFFAOYSA-N -1 0 314.389 3.843 20 30 DHEDRM C[C@H]1C(N=Nc2ncccc2Cl)CC[C@H](C(=O)[O-])C1(C)C ZINC000814810407 1028233342 /nfs/dbraw/zinc/23/33/42/1028233342.db2.gz LBETYDLIVFQHJL-VHSXEESVSA-N -1 0 309.797 3.660 20 30 DHEDRM CC(CC1(C(=O)[O-])CCC1)N=Nc1cc(F)c(F)c(F)c1 ZINC000814863963 1028249526 /nfs/dbraw/zinc/24/95/26/1028249526.db2.gz KBHIDZLWQFCCCS-UHFFFAOYSA-N -1 0 300.280 3.537 20 30 DHEDRM CC(CC1(C(=O)[O-])CCC1)N=Nc1ccc(C#N)c(Cl)c1 ZINC000814901673 1028268519 /nfs/dbraw/zinc/26/85/19/1028268519.db2.gz ULAIBWDTAUGICY-UHFFFAOYSA-N -1 0 305.765 3.644 20 30 DHEDRM Cc1nc(C)c(C([O-])=C(C#N)c2ccc3ccccc3n2)s1 ZINC000048851994 1028271265 /nfs/dbraw/zinc/27/12/65/1028271265.db2.gz KZBQJSPVTGMMRC-ZDUSSCGKSA-N -1 0 307.378 3.798 20 30 DHEDRM Cc1cc(F)ccc1NN=Cc1cccc(C(=O)[O-])c1Cl ZINC000814885270 1028281395 /nfs/dbraw/zinc/28/13/95/1028281395.db2.gz UPGVUHAUGCMCKE-UHFFFAOYSA-N -1 0 306.724 3.932 20 30 DHEDRM O=C([O-])C1(c2cccc(Cl)c2)CC(=NOC/C=C/Cl)C1 ZINC000814934461 1028291009 /nfs/dbraw/zinc/29/10/09/1028291009.db2.gz VNDKGOTWQWIJQV-WYPJVCRDSA-N -1 0 314.168 3.581 20 30 DHEDRM CCOc1ccc(NN=Cc2cccc(C(=O)[O-])c2Cl)cc1 ZINC000814985298 1028320071 /nfs/dbraw/zinc/32/00/71/1028320071.db2.gz AQXYLHIRMKCIJW-UHFFFAOYSA-N -1 0 318.760 3.883 20 30 DHEDRM CC(C)[C@H](Oc1ccccc1-c1ccc(C#N)s1)C(=O)[O-] ZINC000565238425 1028563618 /nfs/dbraw/zinc/56/36/18/1028563618.db2.gz WIHORDCZKPAOKW-HNNXBMFYSA-N -1 0 301.367 3.775 20 30 DHEDRM CC(C)[C@@H](Oc1ccccc1-c1ccc(C#N)s1)C(=O)[O-] ZINC000565238428 1028564114 /nfs/dbraw/zinc/56/41/14/1028564114.db2.gz WIHORDCZKPAOKW-OAHLLOKOSA-N -1 0 301.367 3.775 20 30 DHEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)o1 ZINC000565560769 1028603965 /nfs/dbraw/zinc/60/39/65/1028603965.db2.gz NKQFCFAKFVCYRN-UHFFFAOYSA-N -1 0 324.361 3.619 20 30 DHEDRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000076766411 1028713507 /nfs/dbraw/zinc/71/35/07/1028713507.db2.gz HKBFQCAPPMBXMD-ZDUSSCGKSA-N -1 0 322.430 3.810 20 30 DHEDRM O=C(CC1CCC1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000076766805 1028716103 /nfs/dbraw/zinc/71/61/03/1028716103.db2.gz SBIGDQHFWCSJBD-UHFFFAOYSA-N -1 0 321.320 3.541 20 30 DHEDRM Cc1ccc(Cl)cc1N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000567137352 1028843701 /nfs/dbraw/zinc/84/37/01/1028843701.db2.gz FXWUWOAQBLGHMV-UHFFFAOYSA-N -1 0 300.745 3.502 20 30 DHEDRM Cc1cc(C=CC(=O)[N-]S(C)(=O)=O)c(C)n1C1CCCCC1 ZINC000042279144 1028950301 /nfs/dbraw/zinc/95/03/01/1028950301.db2.gz QRFFFICZCDOTGQ-MDZDMXLPSA-N -1 0 324.446 3.539 20 30 DHEDRM O=C(C=Cc1cccs1)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000042320792 1028962202 /nfs/dbraw/zinc/96/22/02/1028962202.db2.gz VVSIXZWDNGLHGL-CDKJVOIVSA-N -1 0 319.407 3.719 20 30 DHEDRM Cc1oc(C)c(C(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)c1C ZINC000077879984 1029152454 /nfs/dbraw/zinc/15/24/54/1029152454.db2.gz RTUALYPUCGJHHO-ZDUSSCGKSA-N -1 0 321.398 3.600 20 30 DHEDRM Cc1ccc(CC(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)s1 ZINC000077880739 1029153454 /nfs/dbraw/zinc/15/34/54/1029153454.db2.gz IKUPSHFWAAJSRO-LBPRGKRZSA-N -1 0 323.439 3.647 20 30 DHEDRM CC[C@@H]1C[C@@H](/N=C/c2cc(Br)ccc2O)CCO1 ZINC000817706637 1029229700 /nfs/dbraw/zinc/22/97/00/1029229700.db2.gz DLOGQIIBFBPQHE-PQQGUCMVSA-N -1 0 312.207 3.531 20 30 DHEDRM CCc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)oc1CC ZINC000190886758 1029196134 /nfs/dbraw/zinc/19/61/34/1029196134.db2.gz YFUNDQLAFLCMCX-ZDUSSCGKSA-N -1 0 319.364 3.838 20 30 DHEDRM CC[C@H](SC)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000156277026 1029427448 /nfs/dbraw/zinc/42/74/48/1029427448.db2.gz PMDVXYACMLQOHX-JSGCOSHPSA-N -1 0 314.410 3.510 20 30 DHEDRM N#CC(=C([O-])C(F)=C1CCC1)c1nc(-c2ccncc2)cs1 ZINC000819961676 1029627495 /nfs/dbraw/zinc/62/74/95/1029627495.db2.gz WBGDDAHHGLWNPI-GFCCVEGCSA-N -1 0 313.357 3.789 20 30 DHEDRM Oc1ccc(Br)cc1/C=N/C[C@@H]1CCCCS1 ZINC000783681362 1030113446 /nfs/dbraw/zinc/11/34/46/1030113446.db2.gz DIDWEOJALNLJRO-AAWHYMEISA-N -1 0 314.248 3.859 20 30 DHEDRM O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1ccc2c(c1)CCO2 ZINC000263633875 1030179931 /nfs/dbraw/zinc/17/99/31/1030179931.db2.gz MLBDMYBFZQMNQS-IWQZZHSRSA-N -1 0 302.276 3.501 20 30 DHEDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C1/CCc2cc(O)ccc2C1=O ZINC000794934989 1030386643 /nfs/dbraw/zinc/38/66/43/1030386643.db2.gz OHPAFXVQEPZMHC-ZSOIEALJSA-N -1 0 322.360 3.920 20 30 DHEDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C1/Cc2c(cccc2F)C1=O ZINC000794933820 1030388174 /nfs/dbraw/zinc/38/81/74/1030388174.db2.gz BLXCBKSUSQQGPH-QPEQYQDCSA-N -1 0 310.324 3.963 20 30 DHEDRM COc1cccc2c1C/C(=C/c1cc(C(=O)[O-])c(C)cc1C)C2=O ZINC000794941317 1030423522 /nfs/dbraw/zinc/42/35/22/1030423522.db2.gz NTYARTNWEOIVEG-ZSOIEALJSA-N -1 0 322.360 3.833 20 30 DHEDRM COc1ccsc1C(=O)/C=C/c1cc(C(=O)[O-])c(C)cc1C ZINC000794946487 1030430508 /nfs/dbraw/zinc/43/05/08/1030430508.db2.gz VJSBAVBOQBKRFZ-SNAWJCMRSA-N -1 0 316.378 3.968 20 30 DHEDRM N#Cc1ccc([O-])c(NC(=O)c2coc(C3CCCCC3)n2)c1 ZINC000777277440 1030690388 /nfs/dbraw/zinc/69/03/88/1030690388.db2.gz MXZBXWKSMSVOMJ-UHFFFAOYSA-N -1 0 311.341 3.552 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2cccc(OC(C)(C)C)n2)n1 ZINC000626283083 1030702029 /nfs/dbraw/zinc/70/20/29/1030702029.db2.gz CKFWKBWRABTUEW-LLVKDONJSA-N -1 0 315.398 3.514 20 30 DHEDRM CCc1ccc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000008322912 1030855417 /nfs/dbraw/zinc/85/54/17/1030855417.db2.gz XCPBHEWZSDGWGA-ZHACJKMWSA-N -1 0 310.349 3.609 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2nc(C(C)(C)C)cs2)n1 ZINC000870117577 1030922825 /nfs/dbraw/zinc/92/28/25/1030922825.db2.gz MXDKCJBYBYCIQL-SECBINFHSA-N -1 0 305.428 3.696 20 30 DHEDRM Cc1cnc(F)c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000870338971 1030981590 /nfs/dbraw/zinc/98/15/90/1030981590.db2.gz CPTQXDJLFSXQGK-NSHDSACASA-N -1 0 317.389 3.773 20 30 DHEDRM N#Cc1c(=O)[n-]cc2c1CCC(=Cc1ccc(C3CC3)cc1)C2=O ZINC000844555090 1031211749 /nfs/dbraw/zinc/21/17/49/1031211749.db2.gz ZJVMDFWVAGABRL-OQLLNIDSSA-N -1 0 316.360 3.749 20 30 DHEDRM O=C(/C=C\c1ccc2c(c1)CCO2)c1cc(F)cc(F)c1[O-] ZINC000757476854 1031226846 /nfs/dbraw/zinc/22/68/46/1031226846.db2.gz UWJZZSJDFDGQOH-IWQZZHSRSA-N -1 0 302.276 3.501 20 30 DHEDRM Cc1c(NN=C(CC(C)C)c2ccccn2)cccc1C(=O)[O-] ZINC000844622914 1031256666 /nfs/dbraw/zinc/25/66/66/1031256666.db2.gz FSPZLTNKEQOWRU-UHFFFAOYSA-N -1 0 311.385 3.951 20 30 DHEDRM C[C@@H]1C(=NNC[C@@H]2CCCC2(F)F)CC[C@@H](C(=O)[O-])C1(C)C ZINC000872406968 1031600823 /nfs/dbraw/zinc/60/08/23/1031600823.db2.gz MZXNJDJHXMHKTQ-WOPDTQHZSA-N -1 0 316.392 3.524 20 30 DHEDRM Cc1c(C([O-])=C(C#N)c2ccncn2)sc2cccc(F)c12 ZINC000760358436 1031682603 /nfs/dbraw/zinc/68/26/03/1031682603.db2.gz PBJPFPXXQMXKFN-JTQLQIEISA-N -1 0 311.341 3.629 20 30 DHEDRM Cc1ccc(F)cc1C=NNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000777878053 1031723893 /nfs/dbraw/zinc/72/38/93/1031723893.db2.gz BRJDIHUCBBBUTJ-UHFFFAOYSA-N -1 0 306.724 3.932 20 30 DHEDRM Cc1csc(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)c1 ZINC000845845196 1031727721 /nfs/dbraw/zinc/72/77/21/1031727721.db2.gz WQSMHAWRSOITMT-AWEZNQCLSA-N -1 0 309.390 3.680 20 30 DHEDRM C=C[C@@H](C)O[N-]C(=O)[C@@H](CC)c1sc(SCC)nc1C ZINC001144589549 1031731676 /nfs/dbraw/zinc/73/16/76/1031731676.db2.gz PMHNGHWFMYANPB-KOLCDFICSA-N -1 0 314.476 3.679 20 30 DHEDRM CSCCCC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845837824 1031737405 /nfs/dbraw/zinc/73/74/05/1031737405.db2.gz PNVAFEBHJRZCEZ-LBPRGKRZSA-N -1 0 321.467 3.662 20 30 DHEDRM O=C(/C=C\c1ccc([N+](=O)[O-])cc1F)c1cc(F)cc(F)c1[O-] ZINC000777918978 1031873552 /nfs/dbraw/zinc/87/35/52/1031873552.db2.gz OXJVCZNUXGMRQA-RQOWECAXSA-N -1 0 323.226 3.614 20 30 DHEDRM Cc1cc(C#N)ccc1C(=O)C(C#N)c1nccc2ccccc21 ZINC000361523962 1031968959 /nfs/dbraw/zinc/96/89/59/1031968959.db2.gz HWJIHYTVEDIURB-SFHVURJKSA-N -1 0 311.344 3.905 20 30 DHEDRM N#CC(=C([O-])c1ccccc1[N+](=O)[O-])c1nccc2ccccc21 ZINC000361529989 1031972210 /nfs/dbraw/zinc/97/22/10/1031972210.db2.gz HPKUWJGRBBGBEQ-HNNXBMFYSA-N -1 0 317.304 3.633 20 30 DHEDRM CCn1nc(C)c(C([O-])=C(C#N)c2nccc3ccccc32)c1C ZINC000361526669 1031972619 /nfs/dbraw/zinc/97/26/19/1031972619.db2.gz PTCWQXMUUGKASX-MRXNPFEDSA-N -1 0 318.380 3.558 20 30 DHEDRM C=C(C)CO[N-]C(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 ZINC000846538632 1032005755 /nfs/dbraw/zinc/00/57/55/1032005755.db2.gz YVCFTTVSQYOYTJ-CYBMUJFWSA-N -1 0 301.308 3.823 20 30 DHEDRM CCCCCCCC[C@@H](CCC)[NH2+]CCOP(=O)([O-])[O-] ZINC001173308646 1033662544 /nfs/dbraw/zinc/66/25/44/1033662544.db2.gz BTOZLDOYPVCIBE-CQSZACIVSA-N -1 0 309.387 3.605 20 30 DHEDRM N#Cc1cc(Nc2ccc(OCC(F)F)cc2)c([O-])cc1F ZINC001213309571 1033997247 /nfs/dbraw/zinc/99/72/47/1033997247.db2.gz CJJIOWCCKSIXML-UHFFFAOYSA-N -1 0 308.259 3.790 20 30 DHEDRM O=C([O-])Cc1ccc(N=NC[C@@H]2CCc3ccccc3C2)cc1 ZINC000863126303 1034003660 /nfs/dbraw/zinc/00/36/60/1034003660.db2.gz HEXPFKWEMRXYCM-OAHLLOKOSA-N -1 0 308.381 3.517 20 30 DHEDRM CCCCNC(=O)c1cccc(Nc2scc([O-])c2C#N)c1 ZINC001174188671 1034206105 /nfs/dbraw/zinc/20/61/05/1034206105.db2.gz BMFRLOIRHXPHGZ-UHFFFAOYSA-N -1 0 315.398 3.599 20 30 DHEDRM C[C@@H]1COCC[C@H]1C/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000794675985 1034334922 /nfs/dbraw/zinc/33/49/22/1034334922.db2.gz HZILDHULJGFHOC-KBFDULQVSA-N -1 0 302.201 3.791 20 30 DHEDRM Cc1cnn(C)c1/C=C\C(=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000794713326 1034429786 /nfs/dbraw/zinc/42/97/86/1034429786.db2.gz MVJICNPBPKPDHZ-ARJAWSKDSA-N -1 0 311.168 3.637 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1Nc1ccc(C(C)(C)C#N)cc1 ZINC001174677785 1034545993 /nfs/dbraw/zinc/54/59/93/1034545993.db2.gz POXYCINHWKRSQD-UHFFFAOYSA-N -1 0 310.353 3.938 20 30 DHEDRM COc1cc(Nc2c(F)cc(C#N)cc2Cl)ccc1C(=O)[O-] ZINC001174686805 1034550144 /nfs/dbraw/zinc/55/01/44/1034550144.db2.gz JNXDGAJLHXKULP-UHFFFAOYSA-N -1 0 320.707 3.801 20 30 DHEDRM Cc1c(C(=O)/C=C/c2ccc(C(=O)[O-])s2)cnn1C(C)(C)C ZINC000865224997 1034554004 /nfs/dbraw/zinc/55/40/04/1034554004.db2.gz 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DHEDRM N#Cc1cc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)ccc1F ZINC001176613802 1035301778 /nfs/dbraw/zinc/30/17/78/1035301778.db2.gz KDBGTQNYGSLWCQ-UHFFFAOYSA-N -1 0 316.094 3.987 20 30 DHEDRM N#Cc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c2cccnc12 ZINC001176597578 1035306764 /nfs/dbraw/zinc/30/67/64/1035306764.db2.gz LSXPWHWYAJANLD-BJMVGYQFSA-N -1 0 315.332 3.948 20 30 DHEDRM N#Cc1cc(Nc2c(F)cc(F)c([O-])c2F)cc(F)c1F ZINC001176670859 1035310131 /nfs/dbraw/zinc/31/01/31/1035310131.db2.gz NXOUZICBQPCUMF-UHFFFAOYSA-N -1 0 300.186 3.703 20 30 DHEDRM N#Cc1cccc(Nc2ccc(C(=O)[O-])cc2)c1Br ZINC001176715524 1035327779 /nfs/dbraw/zinc/32/77/79/1035327779.db2.gz NQZZJFVWTIVXIO-UHFFFAOYSA-N -1 0 317.142 3.763 20 30 DHEDRM [O-]c1c(Br)cccc1C=NOCc1ccc(F)cc1 ZINC000758142078 1035332502 /nfs/dbraw/zinc/33/25/02/1035332502.db2.gz DPHQCXHISWTQEC-UHFFFAOYSA-N -1 0 324.149 3.845 20 30 DHEDRM C=C(C)c1cccc(NCc2c(C)nn(CCC(=O)[O-])c2C)c1 ZINC000905796321 1035654675 /nfs/dbraw/zinc/65/46/75/1035654675.db2.gz AWLLHROHFMFTNX-UHFFFAOYSA-N -1 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O=C([O-])c1ccc(NN=Cc2ccccc2Br)cc1 ZINC000916240737 1037713187 /nfs/dbraw/zinc/71/31/87/1037713187.db2.gz MSHLGTMRSKRMIK-UHFFFAOYSA-N -1 0 319.158 3.593 20 30 DHEDRM CC(N=Nc1ccccn1)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000916273972 1037728799 /nfs/dbraw/zinc/72/87/99/1037728799.db2.gz XBLJILDAXAEODX-UHFFFAOYSA-N -1 0 321.336 3.876 20 30 DHEDRM N#Cc1ccc([O-])c(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1 ZINC000151135115 1037729990 /nfs/dbraw/zinc/72/99/90/1037729990.db2.gz VZZXQNHHCHWKRB-UHFFFAOYSA-N -1 0 324.233 3.674 20 30 DHEDRM CCC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000763370737 1037750681 /nfs/dbraw/zinc/75/06/81/1037750681.db2.gz VBVBGDOVMWVWJX-UHFFFAOYSA-N -1 0 303.749 3.659 20 30 DHEDRM CCCCCCCCS(=O)(=O)[N-]c1cccc2cn(C)nc21 ZINC001188012619 1037784679 /nfs/dbraw/zinc/78/46/79/1037784679.db2.gz FFWIYKSBMCXTSS-UHFFFAOYSA-N -1 0 323.462 3.676 20 30 DHEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(CC(C)C)cc1 ZINC000916877492 1038017189 /nfs/dbraw/zinc/01/71/89/1038017189.db2.gz GWEZXJZOJQLBBW-QGZVFWFLSA-N 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DHEDRM C=CCOc1ccc(C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738504815 602501799 /nfs/dbraw/zinc/50/17/99/602501799.db2.gz CCMNVESFPQUIJU-UHFFFAOYSA-N -1 0 312.325 3.594 20 30 DHEDRM C=C(C)CN(CC)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000738471090 602604811 /nfs/dbraw/zinc/60/48/11/602604811.db2.gz PGMNEFARIVCKDZ-UHFFFAOYSA-N -1 0 317.389 3.547 20 30 DHEDRM C=CCN(C(=O)c1ccc(C)c(NC(=O)[O-])c1)c1ccccc1 ZINC000823500552 603530088 /nfs/dbraw/zinc/53/00/88/603530088.db2.gz GVUJXPPMDCFWCR-UHFFFAOYSA-N -1 0 310.353 3.918 20 30 DHEDRM C=CCCCCCN(C)C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823497222 603905858 /nfs/dbraw/zinc/90/58/58/603905858.db2.gz ZANIGYQNJWXRPN-MQVJKMGUSA-N -1 0 322.449 3.502 20 30 DHEDRM CC(C)CCN(CCC#N)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000824239270 604135710 /nfs/dbraw/zinc/13/57/10/604135710.db2.gz RUKWMGMQELPJQF-UHFFFAOYSA-N -1 0 318.377 3.570 20 30 DHEDRM C=CCC(CC=C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000825659902 604389305 /nfs/dbraw/zinc/38/93/05/604389305.db2.gz 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/nfs/dbraw/zinc/66/84/12/604668412.db2.gz UJXFQLUABXUKOC-BRBAHIAASA-N -1 0 315.760 3.934 20 30 DHEDRM C[C@H]1CC(=NNc2ccc(C(=O)[O-])cn2)c2ccsc2S1 ZINC000763372511 604669412 /nfs/dbraw/zinc/66/94/12/604669412.db2.gz ZIMDYHIKULWADH-QMMMGPOBSA-N -1 0 319.411 3.542 20 30 DHEDRM C=C[C@@H](CC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC000191056616 604673907 /nfs/dbraw/zinc/67/39/07/604673907.db2.gz KGSPQZXUWAPUKE-LBPRGKRZSA-N -1 0 313.328 3.822 20 30 DHEDRM C=C[C@H](CC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC000761666534 604674746 /nfs/dbraw/zinc/67/47/46/604674746.db2.gz ZVXKXAWJHPGGMX-GFCCVEGCSA-N -1 0 313.328 3.822 20 30 DHEDRM CC(C)(C#N)c1ccccc1COC(=O)c1ccc(C(=O)[O-])cc1 ZINC000826081510 604690342 /nfs/dbraw/zinc/69/03/42/604690342.db2.gz WDRBUCKRWMMTJD-UHFFFAOYSA-N -1 0 323.348 3.543 20 30 DHEDRM CC(C)(C#N)c1ccccc1COc1ccc(C(=O)[O-])cc1C=O ZINC000826081512 604717016 /nfs/dbraw/zinc/71/70/16/604717016.db2.gz WHHAUHXVMSWQOG-UHFFFAOYSA-N -1 0 323.348 3.577 20 30 DHEDRM C=C[C@@H](CC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000833371614 604739566 /nfs/dbraw/zinc/73/95/66/604739566.db2.gz RTSHJGYFBPPYCT-LBPRGKRZSA-N -1 0 313.328 3.822 20 30 DHEDRM C=CCCC[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000398060195 605057485 /nfs/dbraw/zinc/05/74/85/605057485.db2.gz BULCJGPHBFEPGO-SECBINFHSA-N -1 0 312.316 3.529 20 30 DHEDRM C/C(=C/CSc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-] ZINC000833383605 605154960 /nfs/dbraw/zinc/15/49/60/605154960.db2.gz LGWLGBRDTFKUGC-YWEYNIOJSA-N -1 0 301.289 3.700 20 30 DHEDRM COCc1cccc(C=NNc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000833726199 605159814 /nfs/dbraw/zinc/15/98/14/605159814.db2.gz WBYPQDDCZREECY-UHFFFAOYSA-N -1 0 318.760 3.631 20 30 DHEDRM CC(=NNc1ccc(C#N)c(Cl)c1)c1ccc(C(=O)[O-])cc1 ZINC000833386755 605333695 /nfs/dbraw/zinc/33/36/95/605333695.db2.gz WJRXCPTYTDEGAW-UHFFFAOYSA-N -1 0 313.744 3.746 20 30 DHEDRM CC(C)Oc1ccc(NCc2ccc(C(=O)[O-])cc2)cc1C#N ZINC000833506873 605550377 /nfs/dbraw/zinc/55/03/77/605550377.db2.gz SAFNYSUONFDAHE-UHFFFAOYSA-N -1 0 310.353 3.656 20 30 DHEDRM C=CC[C@H]1N(C(=O)NCC(CC)(CC)C(=O)[O-])CCCC1(C)C ZINC001602719257 971384009 /nfs/dbraw/zinc/38/40/09/971384009.db2.gz ZKUMMXCSCJCCFI-CQSZACIVSA-N -1 0 324.465 3.654 20 30 DHEDRM C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CC)C(=O)[O-] ZINC001602730118 971405927 /nfs/dbraw/zinc/40/59/27/971405927.db2.gz UNYCRTOSNOIAAS-AWEZNQCLSA-N -1 0 304.390 3.523 20 30 DHEDRM CCCCCCCCCSc1nc(=O)[nH]c(C)c1C(=O)[O-] ZINC000059213251 957560782 /nfs/dbraw/zinc/56/07/82/957560782.db2.gz VYUKXORUZJHQCZ-UHFFFAOYSA-N -1 0 312.435 3.619 20 30 DHEDRM C=C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1)c1ccccc1 ZINC001588451539 958413854 /nfs/dbraw/zinc/41/38/54/958413854.db2.gz ZFNKGEVODCJDGT-DNVCBOLYSA-N -1 0 323.392 3.597 20 30 DHEDRM C=CCCC1(CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)CCCC1 ZINC001588457137 958444455 /nfs/dbraw/zinc/44/44/55/958444455.db2.gz MDJXTIWRAMKCGH-CLFYSBASSA-N -1 0 317.385 3.634 20 30 DHEDRM C=CCCCCCCCCNC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001588458527 958463869 /nfs/dbraw/zinc/46/38/69/958463869.db2.gz RGKXLJBXOBIHHO-HOTGVXAUSA-N -1 0 324.465 3.655 20 30 DHEDRM C=CCOc1ccc(OC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC001588469820 958519647 /nfs/dbraw/zinc/51/96/47/958519647.db2.gz VXPJZZSGIPIDQQ-UHFFFAOYSA-N -1 0 318.369 3.582 20 30 DHEDRM Cc1cc(C)c2c(c1)C(=O)/C(=C/c1ccc(C(=O)[O-])cc1)CO2 ZINC000214020654 959725367 /nfs/dbraw/zinc/72/53/67/959725367.db2.gz CBDJSEVVJCORTL-OQLLNIDSSA-N -1 0 308.333 3.660 20 30 DHEDRM COc1ccc(CC/N=C\c2cc(Cl)ccc2O)cc1F ZINC000728226390 1013197737 /nfs/dbraw/zinc/19/77/37/1013197737.db2.gz OFTYBHXDXAPOMG-GRSHGNNSSA-N -1 0 307.752 3.855 20 30 DHEDRM C=C(C)C[C@@H](NC(=O)/C=C(\CC)c1cccc(Cl)c1)C(=O)[O-] ZINC001573322015 962764050 /nfs/dbraw/zinc/76/40/50/962764050.db2.gz TUCHKOWHZFFJPM-HBIYDYFMSA-N -1 0 321.804 3.669 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C ZINC001573332023 962823051 /nfs/dbraw/zinc/82/30/51/962823051.db2.gz CKDDCGVZVACVPL-OAHLLOKOSA-N -1 0 309.793 3.574 20 30 DHEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001573352839 962993367 /nfs/dbraw/zinc/99/33/67/962993367.db2.gz KWKFTAVSCBUXRL-HUUCEWRRSA-N -1 0 307.434 3.663 20 30 DHEDRM C=CCC1(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)CCCC1 ZINC001573353437 963002928 /nfs/dbraw/zinc/00/29/28/963002928.db2.gz VQLIAYRQIPYOET-UHFFFAOYSA-N -1 0 321.804 3.905 20 30 DHEDRM C=CCC1(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])CCCC1 ZINC001573353590 963005391 /nfs/dbraw/zinc/00/53/91/963005391.db2.gz ZPTLKLQHEKELBQ-HNNXBMFYSA-N -1 0 307.434 3.520 20 30 DHEDRM C=CCCC[C@@H](NC(=O)CCC(C)(C)c1ccccc1)C(=O)[O-] ZINC001573358463 963027481 /nfs/dbraw/zinc/02/74/81/963027481.db2.gz ZXNJDOSHMXZYFN-MRXNPFEDSA-N -1 0 317.429 3.670 20 30 DHEDRM C=CCCC[C@H](NC(=O)c1ccc(C)c2ccccc12)C(=O)[O-] ZINC001573364607 963049348 /nfs/dbraw/zinc/04/93/48/963049348.db2.gz AAQZPTQMXZKZTC-KRWDZBQOSA-N -1 0 311.381 3.688 20 30 DHEDRM C#CCCCCCC(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21 ZINC001588440684 964042530 /nfs/dbraw/zinc/04/25/30/964042530.db2.gz ITRAPJZLOKVWEK-UHFFFAOYSA-N -1 0 313.397 3.556 20 30 DHEDRM CC(=NOCC(F)F)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000758902137 1013661314 /nfs/dbraw/zinc/66/13/14/1013661314.db2.gz FAHLVFIIIQCHOJ-UHFFFAOYSA-N -1 0 309.268 3.651 20 30 DHEDRM C=C(C)C[C@H](C)C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000648442877 968585104 /nfs/dbraw/zinc/58/51/04/968585104.db2.gz KIVOZQBWEKAXRT-AWEZNQCLSA-N -1 0 315.413 3.693 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2csc(C(C)(C)C)n2)n1 ZINC000330422488 1013816540 /nfs/dbraw/zinc/81/65/40/1013816540.db2.gz HSHGNSKMSAYOTG-VIFPVBQESA-N -1 0 305.428 3.696 20 30 DHEDRM C=CC[C@@H]1N(C(=O)c2cccc(C(=O)[O-])c2)CCCC1(C)C ZINC000668320929 968851852 /nfs/dbraw/zinc/85/18/52/968851852.db2.gz KIYBIVFKINWYNH-HNNXBMFYSA-N -1 0 301.386 3.592 20 30 DHEDRM CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000084692189 1020172088 /nfs/dbraw/zinc/17/20/88/1020172088.db2.gz KKEXVCHQFLYCAY-UHFFFAOYSA-N -1 0 303.449 4.000 20 30 DHEDRM CC(=O)c1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)o1 ZINC000683689179 1013856686 /nfs/dbraw/zinc/85/66/86/1013856686.db2.gz PVVWZBJJNSHLQK-CYBMUJFWSA-N -1 0 304.305 3.520 20 30 DHEDRM C[C@H](C#N)Oc1ccc(CNc2cccc(CCC(=O)[O-])c2)cc1 ZINC000840998170 969222199 /nfs/dbraw/zinc/22/21/99/969222199.db2.gz QCQPNUDNMIPGAP-CQSZACIVSA-N -1 0 324.380 3.607 20 30 DHEDRM O=C(NC[C@H]1CCCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000331246323 1013869334 /nfs/dbraw/zinc/86/93/34/1013869334.db2.gz UXCJXKKUTXKPSH-MRVPVSSYSA-N -1 0 304.173 3.573 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1ccoc1 ZINC000175937781 1014092376 /nfs/dbraw/zinc/09/23/76/1014092376.db2.gz BRYDBBSOXNNGDK-HNNXBMFYSA-N -1 0 320.348 3.594 20 30 DHEDRM N#Cc1cc(Br)cc(Nc2ccccc2C(=O)[O-])c1 ZINC001210967698 1014098274 /nfs/dbraw/zinc/09/82/74/1014098274.db2.gz SJEQMHPOLMKAAA-UHFFFAOYSA-N -1 0 317.142 3.763 20 30 DHEDRM C=CCc1cccc(C(C)C)c1NC(=O)NCC1(C(=O)[O-])CC1 ZINC000663354216 975948226 /nfs/dbraw/zinc/94/82/26/975948226.db2.gz MRMZXDMLZJKXIN-UHFFFAOYSA-N -1 0 316.401 3.525 20 30 DHEDRM CC(C)Oc1ccc(NCc2cc(C(=O)[O-])cs2)cc1C#N ZINC001591788378 975972733 /nfs/dbraw/zinc/97/27/33/975972733.db2.gz DZFFVKVAGNGQOA-UHFFFAOYSA-N -1 0 316.382 3.717 20 30 DHEDRM O=C([O-])c1csc(/C=C2/CSc3c(F)cccc3C2=O)c1 ZINC000782199447 1014325210 /nfs/dbraw/zinc/32/52/10/1014325210.db2.gz DOWITXKHKDSNPN-YWEYNIOJSA-N -1 0 320.366 3.957 20 30 DHEDRM CC(=C\c1ccccc1)/C=C\C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001592210229 977253159 /nfs/dbraw/zinc/25/31/59/977253159.db2.gz BRGXSLUNIMRQIA-XSAPRFFASA-N -1 0 322.360 3.992 20 30 DHEDRM C[C@H](CC#N)C(=O)Nc1sc(C2CCCCC2)cc1C(=O)[O-] ZINC001592221364 977397446 /nfs/dbraw/zinc/39/74/46/977397446.db2.gz CRDVXABDVZTJNP-SNVBAGLBSA-N -1 0 320.414 3.982 20 30 DHEDRM CC(CC1CC1)N=Nc1cc(C(=O)[O-])ccc1Br ZINC001592458650 978172177 /nfs/dbraw/zinc/17/21/77/978172177.db2.gz CJRVXNMDOWKLQE-UHFFFAOYSA-N -1 0 311.179 3.735 20 30 DHEDRM CC(=NNc1ccc(OC(F)F)cc1)c1ccc(C(=O)[O-])cc1 ZINC000726426681 978291269 /nfs/dbraw/zinc/29/12/69/978291269.db2.gz CRFORHIRUKMUKD-UHFFFAOYSA-N -1 0 320.295 3.822 20 30 DHEDRM O=C([O-])c1cccc(NN=Cc2cccc(-c3cccnc3)c2)c1 ZINC000768487588 978738288 /nfs/dbraw/zinc/73/82/88/978738288.db2.gz YXSYYAHTXRCURP-UHFFFAOYSA-N -1 0 317.348 3.893 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1NN=C(C)c1cccc(F)c1F ZINC000776260154 978748045 /nfs/dbraw/zinc/74/80/45/978748045.db2.gz ZBGFEILYJPKHRU-UHFFFAOYSA-N -1 0 320.295 3.508 20 30 DHEDRM C=CCCCS(=O)(=O)[N-]c1ncc(-c2ccccc2)s1 ZINC000427782764 1014529104 /nfs/dbraw/zinc/52/91/04/1014529104.db2.gz SRPIDKRCHPTJCS-UHFFFAOYSA-N -1 0 308.428 3.518 20 30 DHEDRM C[C@H]1C(N=Nc2nc3ccccc3s2)CC[C@H]1CC(=O)[O-] ZINC000814685766 978871589 /nfs/dbraw/zinc/87/15/89/978871589.db2.gz WCGBZHDFYGULHK-ZJUUUORDSA-N -1 0 303.387 3.585 20 30 DHEDRM C[C@@H]1C(N=Nc2cccc3c2CCCC3)CC[C@@H]1CC(=O)[O-] ZINC000814811855 978887426 /nfs/dbraw/zinc/88/74/26/978887426.db2.gz WJWVZEUQVLPAKH-GXTWGEPZSA-N -1 0 300.402 3.854 20 30 DHEDRM CC(C)c1c(Cl)ncnc1N=NC1CC[C@H](CC(=O)[O-])[C@@H]1C ZINC000814922048 978898856 /nfs/dbraw/zinc/89/88/56/978898856.db2.gz RFQGNMJBYQRKOQ-VHSXEESVSA-N -1 0 324.812 3.542 20 30 DHEDRM C=CCN(Cc1c[nH]c(C(=O)[O-])c1)Cc1ccc(Cl)s1 ZINC000833374288 979173482 /nfs/dbraw/zinc/17/34/82/979173482.db2.gz FJJDWPIAQSJBQN-UHFFFAOYSA-N -1 0 310.806 3.616 20 30 DHEDRM CCC(CC)(CC(=O)[O-])C(=O)OCc1ccc(Cl)cc1C#N ZINC001595048582 979266180 /nfs/dbraw/zinc/26/61/80/979266180.db2.gz AAEIGZCSSHDQBR-UHFFFAOYSA-N -1 0 323.776 3.536 20 30 DHEDRM CCC(Cc1cccs1)N=Nc1ccc(CC(=O)[O-])cc1 ZINC000848416079 979468534 /nfs/dbraw/zinc/46/85/34/979468534.db2.gz YFDJQBMMWLUTLG-UHFFFAOYSA-N -1 0 302.399 3.796 20 30 DHEDRM O=C([O-])c1ccc(N=NC[C@@H]2CCC[C@H](C(F)(F)F)C2)nc1 ZINC000853325579 979606076 /nfs/dbraw/zinc/60/60/76/979606076.db2.gz JBMPAWVDGLQOMN-KOLCDFICSA-N -1 0 315.295 3.546 20 30 DHEDRM CCc1ncsc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000442071170 1014629757 /nfs/dbraw/zinc/62/97/57/1014629757.db2.gz CYEHMCFBFGWFOL-SECBINFHSA-N -1 0 313.407 3.805 20 30 DHEDRM C#CCCOc1ccc(CNc2cccc(CCC(=O)[O-])c2)cc1 ZINC000901554928 980380589 /nfs/dbraw/zinc/38/05/89/980380589.db2.gz INUWLTXRXDVWAP-UHFFFAOYSA-N -1 0 323.392 3.718 20 30 DHEDRM C=C[C@@H](CC)CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000907609634 981199413 /nfs/dbraw/zinc/19/94/13/981199413.db2.gz DWGQCZSQFLUSDI-FZMZJTMJSA-N -1 0 309.793 3.574 20 30 DHEDRM CC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843567394 1014747592 /nfs/dbraw/zinc/74/75/92/1014747592.db2.gz BOIVUZOFAYAAQG-GFCCVEGCSA-N -1 0 321.154 3.894 20 30 DHEDRM C=CCCC[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000910914333 982161727 /nfs/dbraw/zinc/16/17/27/982161727.db2.gz GBJKYAOHNCMSCJ-LBPRGKRZSA-N -1 0 316.184 3.533 20 30 DHEDRM C=CCCC[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000910915528 982162639 /nfs/dbraw/zinc/16/26/39/982162639.db2.gz OENWXAUCPJTVNW-NSHDSACASA-N -1 0 316.184 3.533 20 30 DHEDRM CCCCCCCC(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000911040157 982206790 /nfs/dbraw/zinc/20/67/90/982206790.db2.gz ZIEIVDIAFHXBKU-LBPRGKRZSA-N -1 0 324.446 3.518 20 30 DHEDRM CCCCCCCC(=O)N(C)[C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC001595702379 982264224 /nfs/dbraw/zinc/26/42/24/982264224.db2.gz IEDGEGSBQUMXNW-QGZVFWFLSA-N -1 0 321.417 3.640 20 30 DHEDRM CCCCCCCCCCC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001595704915 982280728 /nfs/dbraw/zinc/28/07/28/982280728.db2.gz LAIWVMUEJYGSRM-UHFFFAOYSA-N -1 0 322.449 3.734 20 30 DHEDRM CCCCCCCCCN(C)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001595705191 982282809 /nfs/dbraw/zinc/28/28/09/982282809.db2.gz RDIBVGWQXFONHE-UHFFFAOYSA-N -1 0 321.421 3.994 20 30 DHEDRM Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(C(=O)[O-])cc1)CCO2 ZINC000916155735 982672350 /nfs/dbraw/zinc/67/23/50/982672350.db2.gz WXCYVGNCWZXUQK-PTNGSMBKSA-N -1 0 308.333 3.742 20 30 DHEDRM O=C([O-])c1cccc(NN=Cc2ccccc2Br)c1 ZINC000916255213 982673327 /nfs/dbraw/zinc/67/33/27/982673327.db2.gz KEFNCGWOQQTYBV-UHFFFAOYSA-N -1 0 319.158 3.593 20 30 DHEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000443421626 1014909435 /nfs/dbraw/zinc/90/94/35/1014909435.db2.gz YSHKHDYLLRHARH-UHFFFAOYSA-N -1 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Cc1nc(CC(C)C)sc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000330564236 334792433 /nfs/dbraw/zinc/79/24/33/334792433.db2.gz FBOUZEKIXICITC-UHFFFAOYSA-N -1 0 324.446 3.598 20 30 DHEDRM CSc1c(F)cc(NC(=O)c2ccc(C#N)c([O-])c2)cc1F ZINC000189202395 334886121 /nfs/dbraw/zinc/88/61/21/334886121.db2.gz FODQUDQRULKUSI-UHFFFAOYSA-N -1 0 320.320 3.516 20 30 DHEDRM Cc1oc(-c2ccccc2)c(C([O-])=C(C#N)c2ccncn2)c1C ZINC000444456233 338473484 /nfs/dbraw/zinc/47/34/84/338473484.db2.gz WMGBVIVVZAQLDD-HNNXBMFYSA-N -1 0 317.348 3.844 20 30 DHEDRM Cc1ccc2snc(C([O-])=C(C#N)c3cc(C)nc(C)n3)c2c1 ZINC000344720275 335275572 /nfs/dbraw/zinc/27/55/72/335275572.db2.gz GXRMESVBQGGPGO-ZDUSSCGKSA-N -1 0 322.393 3.502 20 30 DHEDRM Cn1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1C1CCC1 ZINC000344949515 335287607 /nfs/dbraw/zinc/28/76/07/335287607.db2.gz KJKYMICOXAUTDC-CQSZACIVSA-N -1 0 319.364 3.924 20 30 DHEDRM CCc1nc(C)c(C([O-])=C(C#N)c2nc(C(C)C)cs2)o1 ZINC000345556599 335334550 /nfs/dbraw/zinc/33/45/50/335334550.db2.gz 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C=CCCC[C@H](C)NC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000583002479 337227502 /nfs/dbraw/zinc/22/75/02/337227502.db2.gz BLMAPUVSXFCAJQ-FZMZJTMJSA-N -1 0 324.808 3.510 20 30 DHEDRM CCCc1ncc(C([O-])=C(C#N)c2cnc3ccccc3n2)s1 ZINC000190916849 337291279 /nfs/dbraw/zinc/29/12/79/337291279.db2.gz SZXSXECRVXWUOL-NSHDSACASA-N -1 0 322.393 3.529 20 30 DHEDRM COCC[C@H](Cc1cccc(-c2ccsc2C#N)c1)C(=O)[O-] ZINC000584665951 337381093 /nfs/dbraw/zinc/38/10/93/337381093.db2.gz FHYGUCLCEPJNQF-CQSZACIVSA-N -1 0 315.394 3.567 20 30 DHEDRM CC[C@H]1CCCN(C(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000052495869 337447957 /nfs/dbraw/zinc/44/79/57/337447957.db2.gz MBFTYAZKULWJRO-JTQLQIEISA-N -1 0 322.459 3.934 20 30 DHEDRM N#Cc1ccc(C(=O)Nc2cnc(-c3ccccc3)s2)cc1[O-] ZINC000525955038 337460460 /nfs/dbraw/zinc/46/04/60/337460460.db2.gz PVXAIGQRPPMJQN-UHFFFAOYSA-N -1 0 321.361 3.640 20 30 DHEDRM Cc1nc(C(C)C)oc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000516528715 338013462 /nfs/dbraw/zinc/01/34/62/338013462.db2.gz NVGOQLXIDYTGIR-GFCCVEGCSA-N -1 0 320.352 3.540 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(C#N)s2)n1 ZINC000429583921 338085201 /nfs/dbraw/zinc/08/52/01/338085201.db2.gz LRTBVONWHXDFPN-JTQLQIEISA-N -1 0 301.396 3.690 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2cnc3c(F)cccc3c2)n1 ZINC000429691802 338087521 /nfs/dbraw/zinc/08/75/21/338087521.db2.gz PICVAPGEDFFZOO-GFCCVEGCSA-N -1 0 311.341 3.629 20 30 DHEDRM CCc1occc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000430528485 338108069 /nfs/dbraw/zinc/10/80/69/338108069.db2.gz YGZWMQGJEOSBFX-NSHDSACASA-N -1 0 308.259 3.746 20 30 DHEDRM C=C[C@H](CC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000431783082 338138798 /nfs/dbraw/zinc/13/87/98/338138798.db2.gz GVRQARBRXRWHGS-OAHLLOKOSA-N -1 0 309.365 3.612 20 30 DHEDRM C=C[C@H](CC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000431991703 338143284 /nfs/dbraw/zinc/14/32/84/338143284.db2.gz LRMBONJCUKBBHZ-OAHLLOKOSA-N -1 0 309.365 3.612 20 30 DHEDRM CC(=Cc1cccc(C(F)(F)F)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435337833 338237407 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Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1[C@H](C)[C@H]1C1CC1 ZINC000528913252 340738824 /nfs/dbraw/zinc/73/88/24/340738824.db2.gz MHJIOHPLPOWOKV-BFPUKSLXSA-N -1 0 320.392 3.660 20 30 DHEDRM C=C(C)COc1cccc(NC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000236692867 341194721 /nfs/dbraw/zinc/19/47/21/341194721.db2.gz DXJHXEKIZBWORL-UHFFFAOYSA-N -1 0 311.337 3.592 20 30 DHEDRM Cc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000076842781 341214790 /nfs/dbraw/zinc/21/47/90/341214790.db2.gz OIFDJLOQHVWXLY-LBPRGKRZSA-N -1 0 321.292 3.535 20 30 DHEDRM Cc1ccc(C=CC(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)o1 ZINC000077882596 341232207 /nfs/dbraw/zinc/23/22/07/341232207.db2.gz VDQYVILWEURFRW-OCHBPSSRSA-N -1 0 319.382 3.649 20 30 DHEDRM CSc1cc(C([O-])=C(C#N)c2nc(C)cs2)ccc1F ZINC000155508859 341608434 /nfs/dbraw/zinc/60/84/34/341608434.db2.gz LCRMJYVQMCGZOL-JTQLQIEISA-N -1 0 306.387 3.803 20 30 DHEDRM CC(C)[C@H](C#N)c1ccc(-c2ccc(C(=O)[O-])cc2CO)cc1 ZINC000567520963 341612161 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O=C([O-])CCc1ccc(N=Cc2cc3ccccc3[nH]c2=O)cc1 ZINC000738596682 600146733 /nfs/dbraw/zinc/14/67/33/600146733.db2.gz NACLVTOUBGNVJT-UHFFFAOYSA-N -1 0 320.348 3.708 20 30 DHEDRM C[C@@H]1c2c(c(O)ccc2F)C(=O)/C1=C/c1ccc(C(=O)[O-])cc1 ZINC000007333202 600173604 /nfs/dbraw/zinc/17/36/04/600173604.db2.gz VMLMSRVJVHLGST-KWINOFQJSA-N -1 0 312.296 3.613 20 30 DHEDRM N#Cc1ccc(CNc2cc(Cl)cc(C(=O)[O-])c2)c(F)c1 ZINC000739117163 600208069 /nfs/dbraw/zinc/20/80/69/600208069.db2.gz AVRCYQFMYBGJGJ-UHFFFAOYSA-N -1 0 304.708 3.661 20 30 DHEDRM N#Cc1cc(F)c(NCCc2ccc(NC(=O)[O-])cc2)c(F)c1 ZINC000739099395 600364599 /nfs/dbraw/zinc/36/45/99/600364599.db2.gz WWSPQGBJKVONLM-UHFFFAOYSA-N -1 0 317.295 3.581 20 30 DHEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CCC(C)(C)C ZINC000736114736 600372601 /nfs/dbraw/zinc/37/26/01/600372601.db2.gz PKDQALISFFIOCG-UHFFFAOYSA-N -1 0 320.385 3.854 20 30 DHEDRM N#Cc1cnc(Oc2ccc(C(=O)[O-])cc2Cl)c(Cl)c1 ZINC000739142231 600502712 /nfs/dbraw/zinc/50/27/12/600502712.db2.gz IGRHGMMEWDDYNM-UHFFFAOYSA-N -1 0 309.108 3.751 20 30 DHEDRM N#Cc1ccc([C@H](Nc2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000739112166 600590481 /nfs/dbraw/zinc/59/04/81/600590481.db2.gz XSPITFYVDQCIBU-SFHVURJKSA-N -1 0 302.333 3.949 20 30 DHEDRM Cc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1Cl ZINC000738627677 600590724 /nfs/dbraw/zinc/59/07/24/600590724.db2.gz IZOLYXAXUKTOOY-HNNXBMFYSA-N -1 0 300.745 3.758 20 30 DHEDRM CCCCOc1cccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737000224 600595571 /nfs/dbraw/zinc/59/55/71/600595571.db2.gz XBEJIDSXMAYECY-GOSISDBHSA-N -1 0 324.380 3.975 20 30 DHEDRM C[C@@H](Nc1ccc(OCCCC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000827773488 600748724 /nfs/dbraw/zinc/74/87/24/600748724.db2.gz NZTCEJNHVAGJOI-CQSZACIVSA-N -1 0 324.380 3.975 20 30 DHEDRM O=C([O-])c1ccc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)o1 ZINC000739215012 600817141 /nfs/dbraw/zinc/81/71/41/600817141.db2.gz HEDJPIRZIBLVCL-XQRVVYSFSA-N -1 0 319.316 3.936 20 30 DHEDRM C[C@@H]1Sc2sccc2C(=O)/C1=C/c1ccc(C(=O)[O-])o1 ZINC000832829036 600829483 /nfs/dbraw/zinc/82/94/83/600829483.db2.gz UXNWWYXJWNTVLK-FSEMZKDTSA-N -1 0 306.364 3.800 20 30 DHEDRM C[C@@H]1Sc2sccc2C(=O)/C1=C\c1ccc(C(=O)[O-])o1 ZINC000832829037 600829877 /nfs/dbraw/zinc/82/98/77/600829877.db2.gz UXNWWYXJWNTVLK-LOBLAWFCSA-N -1 0 306.364 3.800 20 30 DHEDRM CSc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1F ZINC000738197028 600983006 /nfs/dbraw/zinc/98/30/06/600983006.db2.gz WUFLJFOHMNIKBI-HYXAFXHYSA-N -1 0 306.314 3.735 20 30 DHEDRM COc1ccc2c(c1)C(=O)/C(=C/c1ccc(C(=O)[O-])cc1)CC2 ZINC000738073618 600983236 /nfs/dbraw/zinc/98/32/36/600983236.db2.gz IRWZDGCEZYGKCS-XNTDXEJSSA-N -1 0 308.333 3.606 20 30 DHEDRM CCc1c2ccccc2oc1C(=O)/C=C/c1ccc(C(=O)[O-])[nH]1 ZINC000830202984 601330833 /nfs/dbraw/zinc/33/08/33/601330833.db2.gz UPWJZULLRWNZTQ-CSKARUKUSA-N -1 0 309.321 3.918 20 30 DHEDRM CC(C)c1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000827118382 601343681 /nfs/dbraw/zinc/34/36/81/601343681.db2.gz VAQXMHZLDGTTDV-QGZVFWFLSA-N -1 0 323.348 3.664 20 30 DHEDRM CCc1oc(C(=O)[O-])cc1CSc1nc(C)cc(C)c1C#N ZINC000830394954 601405310 /nfs/dbraw/zinc/40/53/10/601405310.db2.gz RZSGARABXPDLJG-UHFFFAOYSA-N -1 0 316.382 3.716 20 30 DHEDRM O=C([O-])c1ccc(/C=C2\CSc3ccc(Cl)cc3C2=O)[nH]1 ZINC000833311725 601446068 /nfs/dbraw/zinc/44/60/68/601446068.db2.gz BSOUGSVVKYDKGA-VMPITWQZSA-N -1 0 319.769 3.738 20 30 DHEDRM Cc1sc(C(=O)[O-])cc1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000833033351 601635495 /nfs/dbraw/zinc/63/54/95/601635495.db2.gz CKOOZYXLQXPRFB-UHFFFAOYSA-N -1 0 323.377 3.538 20 30 DHEDRM COc1ccc2cc(C(=O)/C=C\c3c[nH]c(C(=O)[O-])c3)ccc2c1 ZINC000832504173 601791218 /nfs/dbraw/zinc/79/12/18/601791218.db2.gz FMEKWPZISRLAQM-UQCOIBPSSA-N -1 0 321.332 3.771 20 30 DHEDRM O=C([O-])c1cc(/C=C/C(=O)c2cccc(-c3ccncc3)c2)c[nH]1 ZINC000833092872 601793993 /nfs/dbraw/zinc/79/39/93/601793993.db2.gz OREMJUFDFASIHH-SNAWJCMRSA-N -1 0 318.332 3.671 20 30 DHEDRM C=C(C)COC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000825642351 602032854 /nfs/dbraw/zinc/03/28/54/602032854.db2.gz QAXFNLWAVSKJHZ-UHFFFAOYSA-N -1 0 303.236 3.528 20 30 DHEDRM C[C@H](Oc1ccc(/C=C/C(=O)C2CCCCC2)cc1)C(=O)[O-] ZINC000827884704 602108695 /nfs/dbraw/zinc/10/86/95/602108695.db2.gz ZJWOBKJWWLOFNY-SRXBQZRASA-N -1 0 302.370 3.701 20 30 DHEDRM C=CCC(CC=C)C(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000825659886 602178587 /nfs/dbraw/zinc/17/85/87/602178587.db2.gz JXVMGNFTOPXCLB-SJORKVTESA-N -1 0 319.445 3.637 20 30 DHEDRM C=CCC(CC=C)C(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000825659884 602178683 /nfs/dbraw/zinc/17/86/83/602178683.db2.gz JXVMGNFTOPXCLB-IRXDYDNUSA-N -1 0 319.445 3.637 20 30 DHEDRM N#Cc1ccc(OC(=O)c2ccc(NC(=O)[O-])cc2Cl)cc1 ZINC000740319189 603199755 /nfs/dbraw/zinc/19/97/55/603199755.db2.gz MVOIELWMGHXMNF-UHFFFAOYSA-N -1 0 316.700 3.521 20 30 DHEDRM C=CCCCN(C)C(=O)Nc1cccc(CN(CC)C(=O)[O-])c1 ZINC000738492197 603344163 /nfs/dbraw/zinc/34/41/63/603344163.db2.gz BSQGFJBRAFNDLY-UHFFFAOYSA-N -1 0 319.405 3.616 20 30 DHEDRM C=CCC(CC=C)C(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000823491595 604064642 /nfs/dbraw/zinc/06/46/42/604064642.db2.gz XZSDAGYDLWPTAX-UHFFFAOYSA-N -1 0 314.385 3.676 20 30 DHEDRM COc1ccccc1/C=C/C=C\C(=O)c1ccc(C(=O)[O-])cc1 ZINC000832602738 604627248 /nfs/dbraw/zinc/62/72/48/604627248.db2.gz WJIMPAYJSRMIPW-XATRDHJGSA-N -1 0 308.333 3.846 20 30 DHEDRM O=C([O-])c1ccc(C(=O)/C=C/c2cc(F)c(F)c(F)c2)cc1 ZINC000833310805 604628927 /nfs/dbraw/zinc/62/89/27/604628927.db2.gz UKANPBAIFADSLC-LZCJLJQNSA-N -1 0 306.239 3.698 20 30 DHEDRM O=C([O-])c1ccc(C(=O)/C=C/c2ccc(OC(F)F)cc2)cc1 ZINC000833310062 604630940 /nfs/dbraw/zinc/63/09/40/604630940.db2.gz MANLBRRJEBUUOA-XCVCLJGOSA-N -1 0 318.275 3.882 20 30 DHEDRM CC(N=Nc1nc2ccccc2[nH]1)[C@H](C)CCCCC(=O)[O-] ZINC000814708689 604634745 /nfs/dbraw/zinc/63/47/45/604634745.db2.gz KODQNCLHMMVWRH-LLVKDONJSA-N -1 0 302.378 3.632 20 30 DHEDRM C#CC[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1C)c1ccccc1 ZINC000833360012 604656000 /nfs/dbraw/zinc/65/60/00/604656000.db2.gz AGRKONHTWQIAGK-QGZVFWFLSA-N -1 0 322.364 3.579 20 30 DHEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000763369752 604666696 /nfs/dbraw/zinc/66/66/96/604666696.db2.gz JTZAVIPXADAQQS-UHFFFAOYSA-N -1 0 323.274 3.635 20 30 DHEDRM C=C[C@H](CC(=O)O[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000833370264 604731589 /nfs/dbraw/zinc/73/15/89/604731589.db2.gz ACOQKFCKBHHWAA-RDTXWAMCSA-N -1 0 310.349 3.715 20 30 DHEDRM C=C[C@H](CC(=O)O[C@H](C)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000833371707 604732489 /nfs/dbraw/zinc/73/24/89/604732489.db2.gz VJQNNQNGTSODOO-CHWSQXEVSA-N -1 0 314.337 3.942 20 30 DHEDRM C=C[C@@H](CC(=O)Oc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000833371730 604784775 /nfs/dbraw/zinc/78/47/75/604784775.db2.gz VXPXZLYNAOSMPC-AWEZNQCLSA-N -1 0 310.349 3.579 20 30 DHEDRM CC(C)(C(=O)[O-])c1ccc(Nc2snc(Cl)c2C#N)cc1 ZINC000833419367 604829030 /nfs/dbraw/zinc/82/90/30/604829030.db2.gz RZMTXRCOFSUPRP-UHFFFAOYSA-N -1 0 321.789 3.774 20 30 DHEDRM N#Cc1c(Cl)nsc1NCCCCCCCC(=O)[O-] ZINC000833761105 604832804 /nfs/dbraw/zinc/83/28/04/604832804.db2.gz 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C=CC[C@@H]1CCN1C(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001573352685 962989640 /nfs/dbraw/zinc/98/96/40/962989640.db2.gz HRDGPHGTQBFOEJ-CQSZACIVSA-N -1 0 321.376 3.842 20 30 DHEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1C#N ZINC000441356910 1013719547 /nfs/dbraw/zinc/71/95/47/1013719547.db2.gz RUBPWYDTFOHAJS-UHFFFAOYSA-N -1 0 320.801 3.629 20 30 DHEDRM CC[C@@H](CC#N)N=c1[n-]c(-c2cc(Cl)cc(Cl)c2)no1 ZINC000579994640 1013850319 /nfs/dbraw/zinc/85/03/19/1013850319.db2.gz DVIBFBFUYWWRKT-NSHDSACASA-N -1 0 311.172 3.569 20 30 DHEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C)C2)c1 ZINC000076757649 1013854354 /nfs/dbraw/zinc/85/43/54/1013854354.db2.gz BXCTZUZBGKRIRF-FZMZJTMJSA-N -1 0 309.431 3.775 20 30 DHEDRM C=CC[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCCC1(C)C ZINC000331307240 1013874608 /nfs/dbraw/zinc/87/46/08/1013874608.db2.gz WAOHKBADEBGNAZ-HNNXBMFYSA-N -1 0 318.373 3.507 20 30 DHEDRM Cc1ccoc1C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000121084452 1013881007 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CC(C)c1ccc(CN(CC#N)CCC(=O)[O-])c(C(C)C)c1 ZINC001591953718 976518278 /nfs/dbraw/zinc/51/82/78/976518278.db2.gz ANPGSIFBOZIJKG-UHFFFAOYSA-N -1 0 302.418 3.734 20 30 DHEDRM CC(C)c1ccc2c(c1)C(=O)/C(=C/c1cccc(C(=O)[O-])n1)CO2 ZINC001591974353 976587368 /nfs/dbraw/zinc/58/73/68/976587368.db2.gz UPQQHQWZFOJZOT-MDWZMJQESA-N -1 0 323.348 3.562 20 30 DHEDRM CC(C)c1nc(/C=C\C(=O)c2cc(C(=O)[O-])co2)c2ccccn21 ZINC001592015847 976699995 /nfs/dbraw/zinc/69/99/95/976699995.db2.gz RKOLCRZHCFGTHZ-SREVYHEPSA-N -1 0 324.336 3.645 20 30 DHEDRM CSCC(=NNc1ccccc1C(=O)[O-])c1ccccc1 ZINC000749443881 1014436551 /nfs/dbraw/zinc/43/65/51/1014436551.db2.gz KKIIHIACKRJNHJ-UHFFFAOYSA-N -1 0 300.383 3.564 20 30 DHEDRM Cc1cc(N=NC(C)CCC(=O)[O-])nc2ccc(Cl)cc12 ZINC001592471013 978227748 /nfs/dbraw/zinc/22/77/48/978227748.db2.gz UGEFCVUTWMMNNX-UHFFFAOYSA-N -1 0 305.765 3.849 20 30 DHEDRM CCCn1nc(C)c(/C=C/C(=O)c2ccc(F)cc2[O-])c1C ZINC000160724879 1014512730 /nfs/dbraw/zinc/51/27/30/1014512730.db2.gz 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CCn1nccc1C([O-])=C(C#N)c1nc(-c2ccccc2)cs1 ZINC000123717240 1014695453 /nfs/dbraw/zinc/69/54/53/1014695453.db2.gz UZBIAXTWLSECTA-CYBMUJFWSA-N -1 0 322.393 3.517 20 30 DHEDRM C=C[C@H](CC)CC(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000907603677 981199086 /nfs/dbraw/zinc/19/90/86/981199086.db2.gz MTUUSLLVEBXWNS-IUODEOHRSA-N -1 0 321.442 3.643 20 30 DHEDRM C=CC1(CC(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)CCCCC1 ZINC000907732858 981212730 /nfs/dbraw/zinc/21/27/30/981212730.db2.gz VVYSXTZAQMBFLG-NSHDSACASA-N -1 0 322.430 3.545 20 30 DHEDRM C=CCCC[C@H](NC(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000910915506 982162447 /nfs/dbraw/zinc/16/24/47/982162447.db2.gz NNHNNUHCYDQEAM-NSHDSACASA-N -1 0 316.184 3.533 20 30 DHEDRM CCCCCCCC(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000911040156 982206754 /nfs/dbraw/zinc/20/67/54/982206754.db2.gz ZIEIVDIAFHXBKU-GFCCVEGCSA-N -1 0 324.446 3.518 20 30 DHEDRM CCCCCCCC[C@@H](C)C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-] ZINC001595704556 982277073 /nfs/dbraw/zinc/27/70/73/982277073.db2.gz AEXUFBQRXFXHCQ-OLZOCXBDSA-N -1 0 319.392 3.694 20 30 DHEDRM CCCCCCCC[C@@H](C)CC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001595705131 982282791 /nfs/dbraw/zinc/28/27/91/982282791.db2.gz PLXOBGXYKOWQFY-AIANPOQGSA-N -1 0 309.450 3.552 20 30 DHEDRM CCCCCCCC[C@H](C)CC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001595705132 982282836 /nfs/dbraw/zinc/28/28/36/982282836.db2.gz PLXOBGXYKOWQFY-LJIGWXMPSA-N -1 0 309.450 3.552 20 30 DHEDRM CCCCCCC[C@@H](C)CNC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001595705266 982283606 /nfs/dbraw/zinc/28/36/06/982283606.db2.gz TXLFMZAQJIIFPO-CYBMUJFWSA-N -1 0 321.421 3.898 20 30 DHEDRM CCCCCCCC[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001595705281 982283794 /nfs/dbraw/zinc/28/37/94/982283794.db2.gz UHKHDDUSNCYICC-ARFHVFGLSA-N -1 0 311.466 3.942 20 30 DHEDRM CCCCCCCCCN(C)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001595705403 982285221 /nfs/dbraw/zinc/28/52/21/982285221.db2.gz YYSGYKWHDZZUSH-OAHLLOKOSA-N -1 0 310.438 3.552 20 30 DHEDRM O=C([O-])c1ccc(-c2ccc(/C=C/C(=O)c3cccnc3)o2)cc1 ZINC001116003268 982923212 /nfs/dbraw/zinc/92/32/12/982923212.db2.gz SBGOTCIZZGFOHZ-VQHVLOKHSA-N -1 0 319.316 3.936 20 30 DHEDRM CCCn1c2ccc(C#N)cc2nc1-c1cc(C(=O)[O-])c(C)o1 ZINC001596106293 983431034 /nfs/dbraw/zinc/43/10/34/983431034.db2.gz VJXWIOAPSVJIGJ-UHFFFAOYSA-N -1 0 309.325 3.585 20 30 DHEDRM C#CCC1(NC(=O)Nc2cc(C(=O)[O-])sc2C)CCCCC1 ZINC001588427650 983457309 /nfs/dbraw/zinc/45/73/09/983457309.db2.gz HFRSIBABRRKFSR-UHFFFAOYSA-N -1 0 320.414 3.602 20 30 DHEDRM C#CCCOc1ccc(CNc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001588457590 983482146 /nfs/dbraw/zinc/48/21/46/983482146.db2.gz DLBGFNBCWJELLW-UHFFFAOYSA-N -1 0 313.328 3.538 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001588621737 983720503 /nfs/dbraw/zinc/72/05/03/983720503.db2.gz IZMFZSSDNCSPCB-DZGCQCFKSA-N -1 0 321.804 3.513 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC001588622236 983722635 /nfs/dbraw/zinc/72/26/35/983722635.db2.gz SFBDEKYEQAKDEA-UHFFFAOYSA-N -1 0 321.804 3.647 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(Cl)c(O)c2ccccc12 ZINC001588629430 983737363 /nfs/dbraw/zinc/73/73/63/983737363.db2.gz KVBQDIVTAWYXGO-UHFFFAOYSA-N -1 0 319.744 3.558 20 30 DHEDRM C=C(CNC(=O)Nc1cc(C)cc(C(=O)[O-])c1)c1ccccc1 ZINC001588637150 983758878 /nfs/dbraw/zinc/75/88/78/983758878.db2.gz IWTTVZTYXXGTER-UHFFFAOYSA-N -1 0 310.353 3.528 20 30 DHEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001588644387 983769433 /nfs/dbraw/zinc/76/94/33/983769433.db2.gz UBEBMDUWMPAVRA-VBNZEHGJSA-N -1 0 314.385 3.590 20 30 DHEDRM C=C1CC(C)(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)C1 ZINC001588644522 983769918 /nfs/dbraw/zinc/76/99/18/983769918.db2.gz YRNMFFCSZKVLKV-UHFFFAOYSA-N -1 0 301.367 3.894 20 30 DHEDRM C=CC(C)(C)CCCNC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588673208 983828930 /nfs/dbraw/zinc/82/89/30/983828930.db2.gz MLKVKWOZFZELEN-CQSZACIVSA-N -1 0 324.465 3.511 20 30 DHEDRM C=C[C@@H](Sc1nnc(-c2ccc(C(C)C)cc2)o1)C(=O)[O-] ZINC001588714209 983950652 /nfs/dbraw/zinc/95/06/52/983950652.db2.gz BSGJCPUAEIWPBC-GFCCVEGCSA-N -1 0 304.371 3.591 20 30 DHEDRM C=C[C@@H](Sc1nnc(-c2ccccc2)n1[C@H](C)CC)C(=O)[O-] ZINC001588714539 983952227 /nfs/dbraw/zinc/95/22/27/983952227.db2.gz JBQONRSGZZRXKO-DGCLKSJQSA-N -1 0 317.414 3.647 20 30 DHEDRM C=CC[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1ccccc1 ZINC001588720568 983968179 /nfs/dbraw/zinc/96/81/79/983968179.db2.gz ASVHCOSBOMPUFQ-QGZVFWFLSA-N -1 0 309.365 3.992 20 30 DHEDRM C=CC[C@H](CC)NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001588736458 984025243 /nfs/dbraw/zinc/02/52/43/984025243.db2.gz ZUPXRJZCABGBDB-QMMMGPOBSA-N -1 0 314.744 3.654 20 30 DHEDRM C=CC[C@@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC001588759016 984108776 /nfs/dbraw/zinc/10/87/76/984108776.db2.gz NQHXLZXJHFDSKE-SNVBAGLBSA-N -1 0 310.762 3.511 20 30 DHEDRM C=CC[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-] ZINC001588759464 984111494 /nfs/dbraw/zinc/11/14/94/984111494.db2.gz UKYAHNWTCVNOAD-LLVKDONJSA-N -1 0 301.289 3.698 20 30 DHEDRM C=CCC1(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)CCCCC1 ZINC001588762066 984115694 /nfs/dbraw/zinc/11/56/94/984115694.db2.gz GDDFZAXUZRJAAU-OAHLLOKOSA-N -1 0 313.397 3.728 20 30 DHEDRM C=CC[C@H](c1nc(-c2cc(C(=O)[O-])co2)no1)c1ccccc1 ZINC001588763296 984119543 /nfs/dbraw/zinc/11/95/43/984119543.db2.gz SLTVFLOZEHCRLA-ZDUSSCGKSA-N -1 0 310.309 3.736 20 30 DHEDRM C=CC[C@@H](Sc1nnc(C[C@@H](C)c2ccccc2)o1)C(=O)[O-] ZINC001588763633 984120124 /nfs/dbraw/zinc/12/01/24/984120124.db2.gz UZWDNLZEUFUCSD-DGCLKSJQSA-N -1 0 318.398 3.537 20 30 DHEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001588771520 984140324 /nfs/dbraw/zinc/14/03/24/984140324.db2.gz WZRZFLKGFVUNIN-BXUZGUMPSA-N -1 0 320.364 3.780 20 30 DHEDRM C=CCCC(=O)N(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001588774449 984152135 /nfs/dbraw/zinc/15/21/35/984152135.db2.gz ZMTIIPHQJXVKAQ-ZDUSSCGKSA-N -1 0 316.184 3.544 20 30 DHEDRM C=CCCC(C)(C)CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001588776809 984153457 /nfs/dbraw/zinc/15/34/57/984153457.db2.gz HLGDGPARSIQPIB-UHFFFAOYSA-N -1 0 308.353 3.638 20 30 DHEDRM C=CCCC[C@H](NC(=O)C(C)(C)c1ccccc1Cl)C(=O)[O-] ZINC001588785919 984181681 /nfs/dbraw/zinc/18/16/81/984181681.db2.gz KIVOVSBEHFNYKA-AWEZNQCLSA-N -1 0 323.820 3.543 20 30 DHEDRM C=CCCC[C@@H](NC(=O)c1csc2cc(C)ccc12)C(=O)[O-] ZINC001588798143 984233876 /nfs/dbraw/zinc/23/38/76/984233876.db2.gz VHBBADYSMGOSGQ-CQSZACIVSA-N -1 0 317.410 3.749 20 30 DHEDRM C=CCN(Cc1ccccc1F)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001588831590 984314901 /nfs/dbraw/zinc/31/49/01/984314901.db2.gz CIWBFHWJSMFUDI-LBPRGKRZSA-N -1 0 303.333 3.866 20 30 DHEDRM C=CCOc1ccc(CNc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001588872710 984441515 /nfs/dbraw/zinc/44/15/15/984441515.db2.gz DETTWVBWOMSTBR-UHFFFAOYSA-N -1 0 313.353 3.570 20 30 DHEDRM C=CCOc1cccc(CNc2cccc(CCC(=O)[O-])c2)c1 ZINC001588872810 984442557 /nfs/dbraw/zinc/44/25/57/984442557.db2.gz LFRRCOJYVWACRU-UHFFFAOYSA-N -1 0 311.381 3.881 20 30 DHEDRM C=CCOc1ccccc1-c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC001588877191 984451565 /nfs/dbraw/zinc/45/15/65/984451565.db2.gz ARXBBMXRJXLLRN-UHFFFAOYSA-N -1 0 322.320 3.667 20 30 DHEDRM CC#CCCCC(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC001588927017 984595716 /nfs/dbraw/zinc/59/57/16/984595716.db2.gz IXFDRYBQUQJTMC-UHFFFAOYSA-N -1 0 307.415 3.876 20 30 DHEDRM CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)C1CC(F)(F)C1 ZINC001589016791 984997740 /nfs/dbraw/zinc/99/77/40/984997740.db2.gz INZIOTRIGZCDDV-UHFFFAOYSA-N -1 0 302.708 3.871 20 30 DHEDRM COc1ccc2oc(/C=C\C(=O)c3ccc(O)cc3[O-])cc2c1 ZINC000255334549 1015096052 /nfs/dbraw/zinc/09/60/52/1015096052.db2.gz AVNWUEXCSDIABR-UTCJRWHESA-N -1 0 310.305 3.749 20 30 DHEDRM CCC(=[NH+][N-]c1ccc(C(=O)[O-])c(Cl)c1)c1cccc(N)c1 ZINC001594693809 987104599 /nfs/dbraw/zinc/10/45/99/987104599.db2.gz FLFCRHWULBNVBM-UHFFFAOYSA-N -1 0 317.776 3.847 20 30 DHEDRM CCSc1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cc1 ZINC001597271149 987317861 /nfs/dbraw/zinc/31/78/61/987317861.db2.gz WPSMDMAEESSVAO-FPYGCLRLSA-N -1 0 301.367 3.721 20 30 DHEDRM CC(C)(C)[C@@H]1CCCC[C@@H]1CNc1ccc(C(=O)[O-])nc1C#N ZINC001589729531 987945081 /nfs/dbraw/zinc/94/50/81/987945081.db2.gz ZTCKZSXKWREZRH-CHWSQXEVSA-N -1 0 315.417 3.916 20 30 DHEDRM CC(C)(C)[C@@H]1CCCC[C@H]1CNc1ccc(C(=O)[O-])nc1C#N ZINC001589729533 987945285 /nfs/dbraw/zinc/94/52/85/987945285.db2.gz ZTCKZSXKWREZRH-QWHCGFSZSA-N -1 0 315.417 3.916 20 30 DHEDRM CC(C)(C)C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(=O)[O-] ZINC001589760771 988086991 /nfs/dbraw/zinc/08/69/91/988086991.db2.gz WVPVOUVTUFMXBR-GJZGRUSLSA-N -1 0 317.385 3.507 20 30 DHEDRM COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2C(=O)[O-])c1 ZINC001599663863 994698398 /nfs/dbraw/zinc/69/83/98/994698398.db2.gz HETJNEUKJQVJAV-VMPITWQZSA-N -1 0 316.740 3.943 20 30 DHEDRM C[C@H](Nc1ccc(Oc2ccccc2)c(C#N)c1)[C@H]1C[C@H]1C(=O)[O-] ZINC001593365689 995042734 /nfs/dbraw/zinc/04/27/34/995042734.db2.gz GOADWBFVSWOPHQ-JCURWCKSSA-N -1 0 322.364 3.872 20 30 DHEDRM CCOc1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc1OC ZINC000728438628 1016155692 /nfs/dbraw/zinc/15/56/92/1016155692.db2.gz JCZYKPDHYAPTRK-QPJJXVBHSA-N -1 0 316.328 3.835 20 30 DHEDRM O=C(/C=C/c1cccc2c1OCCCO2)c1ccc([O-])c(F)c1 ZINC000728438584 1016157869 /nfs/dbraw/zinc/15/78/69/1016157869.db2.gz IAVKCAOXAPHROH-FNORWQNLSA-N -1 0 314.312 3.589 20 30 DHEDRM CCC(CC)S(=O)(=O)[N-]C(=O)C(C)=Cc1ccc(F)cc1 ZINC000079153386 1016387269 /nfs/dbraw/zinc/38/72/69/1016387269.db2.gz CNZVSOYFOFIIQI-ZHACJKMWSA-N -1 0 313.394 3.704 20 30 DHEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc(-c2ccoc2)c1 ZINC000127682041 1016775768 /nfs/dbraw/zinc/77/57/68/1016775768.db2.gz LJUGXKGKQIANRE-QGZVFWFLSA-N -1 0 324.380 3.575 20 30 DHEDRM C=CCC[C@@H](NC(=O)C(C)(C)CCC(=O)[O-])c1ccccc1 ZINC000634826538 1017076277 /nfs/dbraw/zinc/07/62/77/1017076277.db2.gz ZDBNWSSWYYYNNE-OAHLLOKOSA-N -1 0 303.402 3.701 20 30 DHEDRM CCc1ccsc1C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000049514344 1011959321 /nfs/dbraw/zinc/95/93/21/1011959321.db2.gz CEJQLHSMLMLXJN-UHFFFAOYSA-N -1 0 315.460 3.525 20 30 DHEDRM N#CC(=C([O-])c1noc2c1CCCCC2)c1nc2ccccc2o1 ZINC000187290875 1012458863 /nfs/dbraw/zinc/45/88/63/1012458863.db2.gz KIGLFMLBOLZTIM-GFCCVEGCSA-N -1 0 321.336 3.575 20 30 DHEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1coc2ccccc12 ZINC000255000731 1012726896 /nfs/dbraw/zinc/72/68/96/1012726896.db2.gz DCHAPUSWPUZDIZ-VURMDHGXSA-N -1 0 309.277 3.943 20 30 DHEDRM CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000073086692 1017138572 /nfs/dbraw/zinc/13/85/72/1017138572.db2.gz IHOQRRGTYAOREZ-MRVPVSSYSA-N -1 0 324.229 3.931 20 30 DHEDRM CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000073087403 1017139268 /nfs/dbraw/zinc/13/92/68/1017139268.db2.gz HFZRNVYLLVIPEX-QMMMGPOBSA-N -1 0 324.229 3.931 20 30 DHEDRM CC(C)Oc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)n1 ZINC000179431203 1017252324 /nfs/dbraw/zinc/25/23/24/1017252324.db2.gz YTRLYFFFUHSJSC-LBPRGKRZSA-N -1 0 321.336 3.500 20 30 DHEDRM CSCc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000255554979 1017678522 /nfs/dbraw/zinc/67/85/22/1017678522.db2.gz VKWGWAULDJPNQN-UHFFFAOYSA-N -1 0 302.355 3.914 20 30 DHEDRM COc1nc2ccccc2cc1/C=C/C(=O)c1ccc([O-])c(F)c1 ZINC000764106816 1018159773 /nfs/dbraw/zinc/15/97/73/1018159773.db2.gz DMYRFSNFDYVQJX-BQYQJAHWSA-N -1 0 323.323 3.984 20 30 DHEDRM COc1ccc(C(=O)/C=C\c2sccc2C)cc1CC(=O)[O-] ZINC000213553794 1018255816 /nfs/dbraw/zinc/25/58/16/1018255816.db2.gz OHQJJYRWQXTANT-XQRVVYSFSA-N -1 0 316.378 3.588 20 30 DHEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1cc2c(s1)CCC2 ZINC000764650539 1018341577 /nfs/dbraw/zinc/34/15/77/1018341577.db2.gz XJOMLJNOQMYDKU-UHFFFAOYSA-N -1 0 300.383 3.771 20 30 DHEDRM Cc1ccsc1/C=C1\CCc2oc(C(=O)[O-])c(C)c2C1=O ZINC000141557650 1018866755 /nfs/dbraw/zinc/86/67/55/1018866755.db2.gz CNABSZFXTNFGSI-JXMROGBWSA-N -1 0 302.351 3.869 20 30 DHEDRM Cc1cccc(OCCCCC(=O)Nc2cc(C#N)ccc2[O-])c1 ZINC000176833582 1019230434 /nfs/dbraw/zinc/23/04/34/1019230434.db2.gz MWXDSBBSPOASGH-UHFFFAOYSA-N -1 0 324.380 3.760 20 30 DHEDRM CN(C)c1cccc(C([O-])=C(C#N)c2nc3ccccc3s2)c1 ZINC000338626988 1019371408 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O=C([O-])c1cc(C=NNCc2ccc(-c3ccccc3)cc2)c[nH]1 ZINC000814863579 601797831 /nfs/dbraw/zinc/79/78/31/601797831.db2.gz SZMXUJDPAOBNMU-UHFFFAOYSA-N -1 0 319.364 3.504 20 30 DHEDRM C[C@@H](Oc1ccc(/C=C2\CCc3ccccc3C2=O)cc1)C(=O)[O-] ZINC000794689311 602105041 /nfs/dbraw/zinc/10/50/41/602105041.db2.gz AJCFNVYVFKQJCB-MLDYKZIASA-N -1 0 322.360 3.751 20 30 DHEDRM C[C@H](Oc1ccc(/C=C\C(=O)c2ccccc2F)cc1)C(=O)[O-] ZINC000827884335 602106120 /nfs/dbraw/zinc/10/61/20/602106120.db2.gz GGTASKHLHWQAHG-KGTBHZDVSA-N -1 0 314.312 3.574 20 30 DHEDRM Cc1cccc2c1C/C(=C/c1ccc(O[C@@H](C)C(=O)[O-])cc1)C2=O ZINC000794708673 602111126 /nfs/dbraw/zinc/11/11/26/602111126.db2.gz UCESVNOYKNSYIN-OJNRTJSBSA-N -1 0 322.360 3.669 20 30 DHEDRM Cc1ccsc1C(=O)/C=C\c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000832983836 602111679 /nfs/dbraw/zinc/11/16/79/602111679.db2.gz CQKFEPSZFRZLAS-VVEJJEBESA-N -1 0 316.378 3.805 20 30 DHEDRM O=C([O-])c1ccccc1-c1ccc(C=NOCC(F)(F)F)o1 ZINC000833334151 602186300 /nfs/dbraw/zinc/18/63/00/602186300.db2.gz LKLLMKCOPXNUHY-UHFFFAOYSA-N -1 0 313.231 3.558 20 30 DHEDRM C=CCCCCCN(C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000825671224 602376593 /nfs/dbraw/zinc/37/65/93/602376593.db2.gz HMZGXNGGOSMLKD-UHFFFAOYSA-N -1 0 308.353 3.734 20 30 DHEDRM N#C[C@@H](Nc1cccc2c1CCN(C(=O)[O-])C2)C1CCCCC1 ZINC000740302862 602791345 /nfs/dbraw/zinc/79/13/45/602791345.db2.gz FAAGEVMDWRINPJ-QGZVFWFLSA-N -1 0 313.401 3.607 20 30 DHEDRM C[C@H](NC(=O)[O-])c1ccc(Nc2ncc(C#N)cc2Cl)cc1 ZINC000825454484 603206700 /nfs/dbraw/zinc/20/67/00/603206700.db2.gz SJYVDCOQLAAWCO-VIFPVBQESA-N -1 0 316.748 3.679 20 30 DHEDRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000825442546 603249243 /nfs/dbraw/zinc/24/92/43/603249243.db2.gz JUVYNYLNHNCGGQ-NSHDSACASA-N -1 0 324.340 3.531 20 30 DHEDRM C[C@@H](Nc1ccc2c(c1)CN(C(=O)[O-])CC2)c1ccc(C#N)cc1 ZINC000825508177 603642958 /nfs/dbraw/zinc/64/29/58/603642958.db2.gz HIRLBSQFSWTLFL-CYBMUJFWSA-N -1 0 321.380 3.767 20 30 DHEDRM C[C@@H](NC(=O)[O-])c1ccc(NCc2ccc(F)c(C#N)c2)cc1 ZINC000825449176 604029520 /nfs/dbraw/zinc/02/95/20/604029520.db2.gz LGBLISPWYDWDGR-LLVKDONJSA-N -1 0 313.332 3.638 20 30 DHEDRM COc1c(Cl)cccc1NCc1cccc(C(=O)[O-])c1C#N ZINC000833727281 604538895 /nfs/dbraw/zinc/53/88/95/604538895.db2.gz RKSZOBDKNBAPLC-UHFFFAOYSA-N -1 0 316.744 3.531 20 30 DHEDRM C=CCOc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000825698798 604626069 /nfs/dbraw/zinc/62/60/69/604626069.db2.gz JSMDVBKOUHLKRO-XGICHPGQSA-N -1 0 308.333 3.846 20 30 DHEDRM C=CCOc1cccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000825702101 604626298 /nfs/dbraw/zinc/62/62/98/604626298.db2.gz DAZDFANDPZHHJX-WDZFZDKYSA-N -1 0 308.333 3.846 20 30 DHEDRM O=C([O-])c1ccc(C(=O)/C=C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000833309961 604628255 /nfs/dbraw/zinc/62/82/55/604628255.db2.gz JXWPUVRRMVUFEO-VKDZAETISA-N -1 0 323.304 3.745 20 30 DHEDRM Cc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)cnc1Cl ZINC000832882044 604630013 /nfs/dbraw/zinc/63/00/13/604630013.db2.gz YEWIUDQONIQGDX-FARCUNLSSA-N -1 0 301.729 3.638 20 30 DHEDRM CC(N=Nc1ccccc1[N+](=O)[O-])[C@H](C)CCCCC(=O)[O-] ZINC000814685671 604632817 /nfs/dbraw/zinc/63/28/17/604632817.db2.gz LQSROWLVJCDHCU-LLVKDONJSA-N -1 0 307.350 3.664 20 30 DHEDRM C#CC[C@H](Nc1nc(Cl)c(C(=O)[O-])s1)c1ccccc1 ZINC000833362936 604635021 /nfs/dbraw/zinc/63/50/21/604635021.db2.gz RXOBIBZDXFSGOO-JTQLQIEISA-N -1 0 306.774 3.671 20 30 DHEDRM CCc1oc(C(=O)[O-])cc1CNc1ccc(C#N)cc1Cl ZINC000830379300 604642815 /nfs/dbraw/zinc/64/28/15/604642815.db2.gz QMTGGENXDUGCNV-UHFFFAOYSA-N -1 0 304.733 3.677 20 30 DHEDRM C=C[C@@H](CC(=O)OC1CCC(CC(=O)[O-])CC1)c1ccccc1 ZINC000833370834 604790191 /nfs/dbraw/zinc/79/01/91/604790191.db2.gz HQWFVCRCPCZWNT-CKDBGZEDSA-N -1 0 316.397 3.923 20 30 DHEDRM O=C([O-])NCc1ccc(NCC#Cc2cccc(Cl)c2)cc1 ZINC000833280872 604799696 /nfs/dbraw/zinc/79/96/96/604799696.db2.gz QUGMATSAABTRRT-UHFFFAOYSA-N -1 0 314.772 3.571 20 30 DHEDRM C=C[C@H](CC(=O)Nc1cccc(F)c1C(=O)[O-])c1ccccc1 ZINC000833371244 604835395 /nfs/dbraw/zinc/83/53/95/604835395.db2.gz MUGPSARMLXMKHK-GFCCVEGCSA-N -1 0 313.328 3.822 20 30 DHEDRM C=CCC[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000630296337 605091066 /nfs/dbraw/zinc/09/10/66/605091066.db2.gz APERAZIWHCXYSJ-JCYILVPMSA-N -1 0 315.413 3.701 20 30 DHEDRM C=CCN(Cc1ccccc1)C(=O)Nc1ccsc1C(=O)[O-] ZINC000833376486 605126830 /nfs/dbraw/zinc/12/68/30/605126830.db2.gz WTRLWOVTQVEXKH-UHFFFAOYSA-N -1 0 316.382 3.666 20 30 DHEDRM C[C@@H]1C/C(=C\c2ccc(OCC(=O)[O-])cc2)C(=O)c2ccccc21 ZINC000255584223 605144707 /nfs/dbraw/zinc/14/47/07/605144707.db2.gz IHZJRWPJHQWUQP-WDGDVPDHSA-N -1 0 322.360 3.924 20 30 DHEDRM CCN(Cc1cccc(NCc2cccc(C#N)c2)c1)C(=O)[O-] ZINC000827169318 605245032 /nfs/dbraw/zinc/24/50/32/605245032.db2.gz AETRQXCXMRQUTB-UHFFFAOYSA-N -1 0 309.369 3.670 20 30 DHEDRM N#Cc1csc(CNc2ccc3c(c2)CCCN3C(=O)[O-])c1 ZINC000831161615 605254614 /nfs/dbraw/zinc/25/46/14/605254614.db2.gz GRSPTTRUBMMGLU-UHFFFAOYSA-N -1 0 313.382 3.662 20 30 DHEDRM C#CCCCCCC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000833361832 605303608 /nfs/dbraw/zinc/30/36/08/605303608.db2.gz NWBXBKIICSHLMJ-IBGZPJMESA-N -1 0 323.392 3.665 20 30 DHEDRM C#CCCOc1ccc(CNc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000833365278 605545315 /nfs/dbraw/zinc/54/53/15/605545315.db2.gz NKKCZIBTRCVTIK-UHFFFAOYSA-N -1 0 323.392 3.718 20 30 DHEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC000833386987 605593120 /nfs/dbraw/zinc/59/31/20/605593120.db2.gz IMCAYIZNBBOEKJ-UHFFFAOYSA-N -1 0 320.295 3.822 20 30 DHEDRM C=C[C@@H](S[C@H](C)c1cccc(Br)c1)C(=O)[O-] ZINC001588714413 983951871 /nfs/dbraw/zinc/95/18/71/983951871.db2.gz GOCHZAYVVZRRSB-LDYMZIIASA-N -1 0 301.205 3.883 20 30 DHEDRM C=CC(C)(C)CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001602717653 971370491 /nfs/dbraw/zinc/37/04/91/971370491.db2.gz WWYYGELWCJFWGX-UHFFFAOYSA-N -1 0 314.744 3.511 20 30 DHEDRM C=CCCC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001602718856 971378266 /nfs/dbraw/zinc/37/82/66/971378266.db2.gz CXDHIERCEYODDG-BBWFWOEESA-N -1 0 315.413 3.701 20 30 DHEDRM C=C[C@H](CC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1ccccc1 ZINC000652089296 954047464 /nfs/dbraw/zinc/04/74/64/954047464.db2.gz YYYIVNBKOJFGBE-JKSUJKDBSA-N -1 0 317.429 3.600 20 30 DHEDRM N#Cc1cc(NC2CC(C(=O)[O-])C2)ccc1Oc1ccccc1 ZINC001594616742 956243600 /nfs/dbraw/zinc/24/36/00/956243600.db2.gz ZGRJPEHESYVLPT-UHFFFAOYSA-N -1 0 308.337 3.626 20 30 DHEDRM C=CC1(CC(=O)N2CCC(CCC(=O)[O-])CC2)CCCCC1 ZINC000907613811 956979256 /nfs/dbraw/zinc/97/92/56/956979256.db2.gz BMDOFJYZFSSTFV-UHFFFAOYSA-N -1 0 307.434 3.616 20 30 DHEDRM C=C[C@@H](CC(=O)N(CC(=O)[O-])C1CCCCC1)c1ccccc1 ZINC000683309641 1013158411 /nfs/dbraw/zinc/15/84/11/1013158411.db2.gz NCUNABVSXGTCPO-HNNXBMFYSA-N -1 0 315.413 3.592 20 30 DHEDRM C=CCN(Cc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001588464531 958492949 /nfs/dbraw/zinc/49/29/49/958492949.db2.gz YMZBAAUFSIMFJY-UHFFFAOYSA-N -1 0 310.353 3.605 20 30 DHEDRM C=CC[C@H]1N(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CCCC1(C)C ZINC001573328112 958496272 /nfs/dbraw/zinc/49/62/72/958496272.db2.gz ATJMCSRVCJTQLT-HUUCEWRRSA-N -1 0 324.465 3.510 20 30 DHEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(C2CCCCC2)c1 ZINC001588539958 958954567 /nfs/dbraw/zinc/95/45/67/958954567.db2.gz IDQJNIKVRHURPF-GOSISDBHSA-N -1 0 314.385 3.677 20 30 DHEDRM Cc1c(Cl)cnc(N[C@H](CCC(C)(C)C)C(=O)[O-])c1C#N ZINC001574304845 960732153 /nfs/dbraw/zinc/73/21/53/960732153.db2.gz VLGWKSZBNSOXIN-GFCCVEGCSA-N -1 0 309.797 3.607 20 30 DHEDRM CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000048582891 1013202870 /nfs/dbraw/zinc/20/28/70/1013202870.db2.gz KDNPPDHIRAVUAA-GFCCVEGCSA-N -1 0 313.419 3.557 20 30 DHEDRM CCCCCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001319224369 960931379 /nfs/dbraw/zinc/93/13/79/960931379.db2.gz NVCBRJLWCMQLEN-INIZCTEOSA-N -1 0 305.418 3.988 20 30 DHEDRM C=C(C)C[C@@H](NC(=O)C/C=C/c1ccc(C(C)C)cc1)C(=O)[O-] ZINC001573322005 962764576 /nfs/dbraw/zinc/76/45/76/962764576.db2.gz SUUSRFAYYADNGK-FUTAKVPZSA-N -1 0 315.413 3.749 20 30 DHEDRM C=C(CC(C)C)C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001573326048 962801395 /nfs/dbraw/zinc/80/13/95/962801395.db2.gz RHMSVZMOFUZEKA-QGZVFWFLSA-N -1 0 311.381 3.684 20 30 DHEDRM C#Cc1cccc(N(C(=O)c2cc(C)cc(C(=O)[O-])c2)C(C)C)c1 ZINC001573327028 962807077 /nfs/dbraw/zinc/80/70/77/962807077.db2.gz ARPJKTAPLACECV-UHFFFAOYSA-N -1 0 321.376 3.730 20 30 DHEDRM C=CCN(Cc1cccs1)C(=O)Nc1ccccc1C(=O)[O-] ZINC001573328735 962810952 /nfs/dbraw/zinc/81/09/52/962810952.db2.gz NJZGPHYXJJATTL-UHFFFAOYSA-N -1 0 316.382 3.666 20 30 DHEDRM C=CC(C)(C)CCCNC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001573346861 962943583 /nfs/dbraw/zinc/94/35/83/962943583.db2.gz HGJNXAGUUZTGFO-UHFFFAOYSA-N -1 0 304.390 3.807 20 30 DHEDRM C=CC(C)(C)CC(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001573348364 962957569 /nfs/dbraw/zinc/95/75/69/962957569.db2.gz VXWQSCMQRHWFEH-UHFFFAOYSA-N -1 0 305.374 3.713 20 30 DHEDRM C=CC[C@H]1CCN1C(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001573352684 962990438 /nfs/dbraw/zinc/99/04/38/962990438.db2.gz HRDGPHGTQBFOEJ-AWEZNQCLSA-N -1 0 321.376 3.842 20 30 DHEDRM C=CCC1(C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)CCCC1 ZINC001573353435 963002798 /nfs/dbraw/zinc/00/27/98/963002798.db2.gz VPTWQTJGVOSUCG-INIZCTEOSA-N -1 0 321.461 3.910 20 30 DHEDRM C=CCCc1ccccc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001573360467 963038250 /nfs/dbraw/zinc/03/82/50/963038250.db2.gz PKYDEOKKVCXJGI-ZRDIBKRKSA-N -1 0 311.337 3.748 20 30 DHEDRM C#CCCCCCC(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001588441170 964049470 /nfs/dbraw/zinc/04/94/70/964049470.db2.gz BIVJOIFRYOCHQK-UHFFFAOYSA-N -1 0 302.370 3.538 20 30 DHEDRM Cc1ccc2cccc(N=Cc3cc([N+](=O)[O-])ccc3[O-])c2n1 ZINC000255109578 1013724916 /nfs/dbraw/zinc/72/49/16/1013724916.db2.gz ZDEZHEDCRLAAHE-UHFFFAOYSA-N -1 0 307.309 3.908 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2csc(C(C)(C)C)n2)n1 ZINC000330422487 1013815769 /nfs/dbraw/zinc/81/57/69/1013815769.db2.gz HSHGNSKMSAYOTG-SECBINFHSA-N -1 0 305.428 3.696 20 30 DHEDRM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000330770691 1013837036 /nfs/dbraw/zinc/83/70/36/1013837036.db2.gz BKSRFSBZNVNFAZ-UONOGXRCSA-N -1 0 324.402 3.669 20 30 DHEDRM CCS[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330739627 1013838887 /nfs/dbraw/zinc/83/88/87/1013838887.db2.gz AEEXEDLADACQBT-ZYHUDNBSSA-N -1 0 324.402 3.669 20 30 DHEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCCCCC2)c(F)c1 ZINC000075040324 1013848359 /nfs/dbraw/zinc/84/83/59/1013848359.db2.gz GKQAWKDKPSAJIC-UHFFFAOYSA-N -1 0 313.394 3.750 20 30 DHEDRM N#CC(=C([O-])c1nccs1)c1nc(-c2ccccc2)cs1 ZINC000683689891 1013857399 /nfs/dbraw/zinc/85/73/99/1013857399.db2.gz RRRVPEHCUDTWOH-NSHDSACASA-N -1 0 311.391 3.757 20 30 DHEDRM CC[C@@H](C)c1cccc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)c1 ZINC001167322195 1013854341 /nfs/dbraw/zinc/85/43/41/1013854341.db2.gz WROBRPJSKXZCDG-LLVKDONJSA-N -1 0 309.369 3.733 20 30 DHEDRM C=CC[C@@H]1N(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCC1(C)C ZINC000331287302 1013869723 /nfs/dbraw/zinc/86/97/23/1013869723.db2.gz HRYQEIHFAFIYIL-HNNXBMFYSA-N -1 0 318.373 3.507 20 30 DHEDRM N#CCCCOc1cccc(NCc2ccc(C(=O)[O-])s2)c1 ZINC000903674020 969582199 /nfs/dbraw/zinc/58/21/99/969582199.db2.gz RRHYELHVCAWNML-UHFFFAOYSA-N -1 0 316.382 3.741 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2cccc(F)c2C#N)n1 ZINC000188956173 1013902529 /nfs/dbraw/zinc/90/25/29/1013902529.db2.gz XFRONGSVLOXQKL-LBPRGKRZSA-N -1 0 313.357 3.767 20 30 DHEDRM O=[N+]([O-])c1ccc(C=NNc2cccc3c2CCCC3)cc1[O-] ZINC000748133544 1013938801 /nfs/dbraw/zinc/93/88/01/1013938801.db2.gz NXQUKEREHKMSGL-UHFFFAOYSA-N -1 0 311.341 3.625 20 30 DHEDRM CCCCCCCC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000317238567 970340355 /nfs/dbraw/zinc/34/03/55/970340355.db2.gz DYCQBXBRXRGREL-OAHLLOKOSA-N -1 0 303.402 3.952 20 30 DHEDRM CCCCCCCC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000317238564 970340646 /nfs/dbraw/zinc/34/06/46/970340646.db2.gz DYCQBXBRXRGREL-HNNXBMFYSA-N -1 0 303.402 3.952 20 30 DHEDRM O=C1c2ccccc2CCC/C1=C\c1ccc([N+](=O)[O-])c([O-])c1 ZINC000748146982 1014033924 /nfs/dbraw/zinc/03/39/24/1014033924.db2.gz CUNPKHFLBBENAE-GXDHUFHOSA-N -1 0 309.321 3.903 20 30 DHEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NCC#Cc1ccccc1 ZINC001591771805 975899392 /nfs/dbraw/zinc/89/93/92/975899392.db2.gz IPBMQMKCTKRZNZ-UHFFFAOYSA-N -1 0 309.365 3.636 20 30 DHEDRM CC(C)c1nc(/C=C/C(=O)c2cc(C(=O)[O-])co2)c2ccccn21 ZINC001592015848 976700653 /nfs/dbraw/zinc/70/06/53/976700653.db2.gz RKOLCRZHCFGTHZ-VOTSOKGWSA-N -1 0 324.336 3.645 20 30 DHEDRM O=C(/C=C\c1ccc(Cl)cc1F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000782205939 1014389206 /nfs/dbraw/zinc/38/92/06/1014389206.db2.gz DMFXFGDJPBFEJR-DJWKRKHSSA-N -1 0 321.691 3.989 20 30 DHEDRM N#Cc1ccc2c(c1)CC/C(=C/c1cc(C(=O)[O-])cs1)C2=O ZINC000782206149 1014400478 /nfs/dbraw/zinc/40/04/78/1014400478.db2.gz HHQOUUYVPUIACX-SDQBBNPISA-N -1 0 309.346 3.530 20 30 DHEDRM CC(CCC(=O)[O-])N=Nc1ccc(-c2ccc(Cl)s2)nn1 ZINC001592470838 978225872 /nfs/dbraw/zinc/22/58/72/978225872.db2.gz PWSFPNVXTXZHGF-UHFFFAOYSA-N -1 0 324.793 3.511 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1cccc(Cl)c1F ZINC000756901738 978701535 /nfs/dbraw/zinc/70/15/35/978701535.db2.gz ZCHLLTNRDLNDNB-UHFFFAOYSA-N -1 0 322.723 3.632 20 30 DHEDRM O=C([O-])c1cccc(NN=Cc2cnc(-c3ccco3)s2)c1 ZINC000782110011 978791796 /nfs/dbraw/zinc/79/17/96/978791796.db2.gz CZTFEBHRAPMLQP-UHFFFAOYSA-N -1 0 313.338 3.547 20 30 DHEDRM CC(C)O[C@H](CN=Nc1ccccc1C(=O)[O-])c1ccccc1 ZINC000792942520 978801205 /nfs/dbraw/zinc/80/12/05/978801205.db2.gz UFGFOGLLUSWREV-QGZVFWFLSA-N -1 0 312.369 3.949 20 30 DHEDRM CC(N=Nc1ncccc1C(F)(F)F)c1ccc(C(=O)[O-])cc1 ZINC000825808811 978941802 /nfs/dbraw/zinc/94/18/02/978941802.db2.gz DYDZXOQFSDVGHF-UHFFFAOYSA-N -1 0 323.274 3.635 20 30 DHEDRM O=C([O-])Cc1ccc(N=NC[C@H]2CCCc3ccccc32)cc1 ZINC000848415756 979468002 /nfs/dbraw/zinc/46/80/02/979468002.db2.gz PLTVKAFXCPZALW-MRXNPFEDSA-N -1 0 308.381 3.832 20 30 DHEDRM C[C@@H](Cc1ccc(NCc2ccc(F)c(C#N)c2)cc1)C(=O)[O-] ZINC001592877941 979747257 /nfs/dbraw/zinc/74/72/57/979747257.db2.gz RYLTXSALVSNIAH-LBPRGKRZSA-N -1 0 312.344 3.573 20 30 DHEDRM CC[C@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccc(C#N)cc1 ZINC001595282951 980345997 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C=CCCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000910916503 982163213 /nfs/dbraw/zinc/16/32/13/982163213.db2.gz WUSABTOGHZPJMR-GFCCVEGCSA-N -1 0 316.184 3.533 20 30 DHEDRM CC(C)(C)Cc1csc(NC(=O)c2ccc(C#N)c([O-])c2)n1 ZINC000443114687 1014816825 /nfs/dbraw/zinc/81/68/25/1014816825.db2.gz WHXYIZDCJBGJNM-UHFFFAOYSA-N -1 0 315.398 3.561 20 30 DHEDRM CCCCCCCC[C@H](C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001595705167 982282680 /nfs/dbraw/zinc/28/26/80/982282680.db2.gz QPRHJYLVXBLTEC-NPJQDHAYSA-N -1 0 309.450 3.599 20 30 DHEDRM CCC(C#N)(CC)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000923057527 982699369 /nfs/dbraw/zinc/69/93/69/982699369.db2.gz FYEFNXYJJNWOSY-UHFFFAOYSA-N -1 0 316.382 3.868 20 30 DHEDRM C[C@](C#N)(NC(=O)c1cc(F)c([O-])c(Cl)c1)C1CCCCC1 ZINC000522059023 1014876256 /nfs/dbraw/zinc/87/62/56/1014876256.db2.gz JICNYGAKRNXNOK-MRXNPFEDSA-N -1 0 324.783 3.777 20 30 DHEDRM CCCOc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC001595966625 983173276 /nfs/dbraw/zinc/17/32/76/983173276.db2.gz MPGZZQFZRPKDJY-KRWDZBQOSA-N -1 0 310.353 3.585 20 30 DHEDRM CCCOc1ccccc1NCc1cccc(C(=O)[O-])c1C#N ZINC001595973841 983196601 /nfs/dbraw/zinc/19/66/01/983196601.db2.gz DGJPIKHBNPUSDX-UHFFFAOYSA-N -1 0 310.353 3.657 20 30 DHEDRM C#C[C@@](C)(CC)N[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001588367480 983299397 /nfs/dbraw/zinc/29/93/97/983299397.db2.gz VKNVIGCKZOBJIL-JSGCOSHPSA-N -1 0 300.185 3.511 20 30 DHEDRM C#CCC1(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CCCCC1 ZINC001588428184 983460696 /nfs/dbraw/zinc/46/06/96/983460696.db2.gz FNGRRFMZLILFPU-UHFFFAOYSA-N -1 0 313.397 3.616 20 30 DHEDRM C#CCOc1cccc(N[C@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001588504311 983547143 /nfs/dbraw/zinc/54/71/43/983547143.db2.gz QHJMOQBFPHJLEJ-INIZCTEOSA-N -1 0 315.756 3.590 20 30 DHEDRM C=C(C)[C@@H](N[C@@H](C)c1nc(C(=O)[O-])co1)c1ccc(F)c(F)c1 ZINC001588535648 983590223 /nfs/dbraw/zinc/59/02/23/983590223.db2.gz PNRGTCNXAMJUKH-LKFCYVNXSA-N -1 0 322.311 3.619 20 30 DHEDRM C=C(C)C[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001588536861 983596190 /nfs/dbraw/zinc/59/61/90/983596190.db2.gz VANCIAJJVYGXPA-SECBINFHSA-N -1 0 315.291 3.944 20 30 DHEDRM C=C(C)C[C@H](NC(=O)[C@H](CCC)c1cccc(Cl)c1)C(=O)[O-] ZINC001588537400 983599374 /nfs/dbraw/zinc/59/93/74/983599374.db2.gz OSPZBEOSNXFJMA-CABCVRRESA-N -1 0 323.820 3.759 20 30 DHEDRM C=C(C)COc1cccc(N[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC001588573536 983653097 /nfs/dbraw/zinc/65/30/97/983653097.db2.gz PLFJLMJCHTUSGO-OAHLLOKOSA-N -1 0 303.383 3.941 20 30 DHEDRM C=C(CC(C)C)C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC001588605516 983693220 /nfs/dbraw/zinc/69/32/20/983693220.db2.gz KMLMEKUKDUGAOM-MRXNPFEDSA-N -1 0 309.450 3.909 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001588621739 983720605 /nfs/dbraw/zinc/72/06/05/983720605.db2.gz IZMFZSSDNCSPCB-HIFRSBDPSA-N -1 0 321.804 3.513 20 30 DHEDRM C=C1CCC(C(=O)N(c2ccccc2)[C@@H](CC)C(=O)[O-])CC1 ZINC001588644355 983769377 /nfs/dbraw/zinc/76/93/77/983769377.db2.gz RBEZISHDTSTWMM-INIZCTEOSA-N -1 0 301.386 3.629 20 30 DHEDRM C=C[C@H](S[C@H](C)c1cccc(Br)c1)C(=O)[O-] ZINC001588714410 983951313 /nfs/dbraw/zinc/95/13/13/983951313.db2.gz GOCHZAYVVZRRSB-KCJUWKMLSA-N -1 0 301.205 3.883 20 30 DHEDRM C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001588744441 984042871 /nfs/dbraw/zinc/04/28/71/984042871.db2.gz LHHGSJSYAKNEJC-MRXNPFEDSA-N -1 0 324.380 3.694 20 30 DHEDRM C=CC[C@H](OC(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001588753623 984087728 /nfs/dbraw/zinc/08/77/28/984087728.db2.gz KYWUJKIYRCYBHZ-KRWDZBQOSA-N -1 0 310.349 3.788 20 30 DHEDRM C=CC[C@H](Sc1nccn1-c1ccc(C)c(C)c1)C(=O)[O-] ZINC001588758704 984107517 /nfs/dbraw/zinc/10/75/17/984107517.db2.gz IQGQVIVDVLMWDH-AWEZNQCLSA-N -1 0 302.399 3.611 20 30 DHEDRM C=CCC1(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)CCCC1 ZINC001588763196 984118747 /nfs/dbraw/zinc/11/87/47/984118747.db2.gz QABBNGOOTBDWNS-OAHLLOKOSA-N -1 0 307.434 3.520 20 30 DHEDRM C=CC[C@@H](c1nc(-c2cc(C(=O)[O-])co2)no1)c1ccccc1 ZINC001588763295 984119316 /nfs/dbraw/zinc/11/93/16/984119316.db2.gz SLTVFLOZEHCRLA-CYBMUJFWSA-N -1 0 310.309 3.736 20 30 DHEDRM C=CCC1(C(=O)Nc2cc(F)cc(C(=O)[O-])c2F)CCCC1 ZINC001588765361 984126828 /nfs/dbraw/zinc/12/68/28/984126828.db2.gz ZVXVDIUOUDFBAL-UHFFFAOYSA-N -1 0 309.312 3.738 20 30 DHEDRM C=CC[C@@H]1CCN1[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001588772959 984145854 /nfs/dbraw/zinc/14/58/54/984145854.db2.gz RUQMZUMSXDVQMV-CHWSQXEVSA-N -1 0 300.185 3.770 20 30 DHEDRM C=CCCC(C)(C)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001588778114 984159426 /nfs/dbraw/zinc/15/94/26/984159426.db2.gz SVPZWZGLRVBZKN-UHFFFAOYSA-N -1 0 318.417 3.915 20 30 DHEDRM C=CCCC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001588793502 984219358 /nfs/dbraw/zinc/21/93/58/984219358.db2.gz YJIBDKPODQKPAY-LBPRGKRZSA-N -1 0 316.184 3.533 20 30 DHEDRM C=CCCCCCCCCNC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588798815 984238980 /nfs/dbraw/zinc/23/89/80/984238980.db2.gz RUSZJLNOSPSWOF-GOSISDBHSA-N -1 0 324.465 3.799 20 30 DHEDRM C=CCN(CC1CCCCC1)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001588823903 984294673 /nfs/dbraw/zinc/29/46/73/984294673.db2.gz BPAOMCNTIYZOJC-HJWRWDBZSA-N -1 0 317.385 3.586 20 30 DHEDRM C=CCN(CCC#N)Cc1c(C(=O)[O-])sc2cccc(F)c21 ZINC001588826326 984302859 /nfs/dbraw/zinc/30/28/59/984302859.db2.gz AULRNJFGPDTJLD-UHFFFAOYSA-N -1 0 318.373 3.640 20 30 DHEDRM C=CCN(CCc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001588829003 984310982 /nfs/dbraw/zinc/31/09/82/984310982.db2.gz XPYFXFJKUDJWEY-UHFFFAOYSA-N -1 0 324.380 3.647 20 30 DHEDRM CCO[C@@H]1CC(N=Nc2ccc(C(=O)[O-])c(Cl)c2)C1(C)C ZINC001596804256 985324194 /nfs/dbraw/zinc/32/41/94/985324194.db2.gz FRCYONIWBPALMV-CYBMUJFWSA-N -1 0 310.781 3.641 20 30 DHEDRM CCOc1ccc(SCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC001597139710 986881252 /nfs/dbraw/zinc/88/12/52/986881252.db2.gz GOTAWNJTKLOZGP-UHFFFAOYSA-N -1 0 313.378 3.947 20 30 DHEDRM CC(C)(C#N)[C@@H]1CCCC1N=Nc1ccc(F)c(C(=O)[O-])c1 ZINC001589553945 987295724 /nfs/dbraw/zinc/29/57/24/987295724.db2.gz PFNVFETYJCAWFF-GFCCVEGCSA-N -1 0 303.337 3.642 20 30 DHEDRM CC(C)(C(=O)[O-])c1ccc(Nc2c(C#N)cccc2C#N)cc1 ZINC001589640709 987562337 /nfs/dbraw/zinc/56/23/37/987562337.db2.gz CTYBHGJNWVRGBQ-UHFFFAOYSA-N -1 0 305.337 3.536 20 30 DHEDRM CC(C)(C)c1csc(/C(=C/c2cccc(C#N)c2)C(=O)[O-])n1 ZINC001590527126 990140654 /nfs/dbraw/zinc/14/06/54/990140654.db2.gz TWCSKSLIPGQJAE-JYRVWZFOSA-N -1 0 312.394 3.937 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2nc3ccccc3s2)c1 ZINC000255396260 1015611003 /nfs/dbraw/zinc/61/10/03/1015611003.db2.gz YIEIHDNKHVTWGT-PXNMLYILSA-N -1 0 313.338 3.529 20 30 DHEDRM CN(CC(C)(C)C#N)[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001598419138 991751635 /nfs/dbraw/zinc/75/16/35/991751635.db2.gz COGCXRYPJDUNFK-GFCCVEGCSA-N -1 0 315.200 3.601 20 30 DHEDRM C[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])c1ccc(Cl)s1 ZINC000176181070 1015779115 /nfs/dbraw/zinc/77/91/15/1015779115.db2.gz FJSKSQKFAXINSU-MRVPVSSYSA-N -1 0 306.774 3.721 20 30 DHEDRM 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CC(C)[C@@H](Cc1ccccc1)NN=C1CC[C@H](C(=O)[O-])C[C@H]1C ZINC000814906973 1028276441 /nfs/dbraw/zinc/27/64/41/1028276441.db2.gz PJRGQNHLXYZRJY-UWWQBHOKSA-N -1 0 316.445 3.720 20 30 DHEDRM CC(=NNC1CCCCC1)c1cccc(OCCCC(=O)[O-])c1 ZINC000814908426 1028277082 /nfs/dbraw/zinc/27/70/82/1028277082.db2.gz BHWKIAONRUYNMC-UHFFFAOYSA-N -1 0 318.417 3.577 20 30 DHEDRM O=C([O-])c1cccc(C=NNc2cccc(Cl)n2)c1Cl ZINC000814939382 1028294512 /nfs/dbraw/zinc/29/45/12/1028294512.db2.gz OOAMTTUQVAWNFG-UHFFFAOYSA-N -1 0 310.140 3.533 20 30 DHEDRM CC[C@@H](C)CON=C(C)c1cccc(OCCCC(=O)[O-])c1 ZINC000814939129 1028295283 /nfs/dbraw/zinc/29/52/83/1028295283.db2.gz FSYAVPOKPKDOIG-CYBMUJFWSA-N -1 0 307.390 3.717 20 30 DHEDRM N#Cc1ccc([O-])c(NC(=O)C2CC(c3ccc(F)cc3)C2)c1 ZINC000815878163 1028639816 /nfs/dbraw/zinc/63/98/16/1028639816.db2.gz WCDONAAILOMZDI-UHFFFAOYSA-N -1 0 310.328 3.535 20 30 DHEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000041545716 1028750553 /nfs/dbraw/zinc/75/05/53/1028750553.db2.gz 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DHEDRM C=C[C@@H](Nc1ccc(Oc2ccccc2OC)c(F)c1)C(=O)[O-] ZINC001588702377 983920309 /nfs/dbraw/zinc/92/03/09/983920309.db2.gz RHKMEXCKQQPCBS-CYBMUJFWSA-N -1 0 317.316 3.678 20 30 DHEDRM C=C[C@@H](Sc1nnc(-c2ccccc2)n1[C@@H](C)CC)C(=O)[O-] ZINC001588714540 983952116 /nfs/dbraw/zinc/95/21/16/983952116.db2.gz JBQONRSGZZRXKO-WCQYABFASA-N -1 0 317.414 3.647 20 30 DHEDRM C=CC1(CC(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCCCC1 ZINC001588719296 983959560 /nfs/dbraw/zinc/95/95/60/983959560.db2.gz OSFRRKAKRFLARK-UHFFFAOYSA-N -1 0 305.349 3.989 20 30 DHEDRM C=C[C@@H]1CCCCN1C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001588719340 983959844 /nfs/dbraw/zinc/95/98/44/983959844.db2.gz PSMSVHDLQTTXPI-LLVKDONJSA-N -1 0 308.403 3.636 20 30 DHEDRM C=CC1(CC(=O)Nc2ccc(C(=O)[O-])cc2OC)CCCCC1 ZINC001588719839 983962768 /nfs/dbraw/zinc/96/27/68/983962768.db2.gz YUCMFAKLDJAZJL-UHFFFAOYSA-N -1 0 317.385 3.859 20 30 DHEDRM C=CCC(C)(C)c1noc(-c2cc(C(=O)[O-])ccc2Cl)n1 ZINC001588736796 984027264 /nfs/dbraw/zinc/02/72/64/984027264.db2.gz 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CC(=NNCc1ccc(F)cc1F)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814830102 1028235892 /nfs/dbraw/zinc/23/58/92/1028235892.db2.gz XELLXLRJRQRIJV-OCCSQVGLSA-N -1 0 324.371 3.567 20 30 DHEDRM CC(N=Nc1ccnc2ccccc12)[C@@H](C)CCCCC(=O)[O-] ZINC000814841122 1028243205 /nfs/dbraw/zinc/24/32/05/1028243205.db2.gz BSIGLVZEIXDZEV-ZDUSSCGKSA-N -1 0 313.401 3.726 20 30 DHEDRM CC(CC1(C(=O)[O-])CCC1)N=Nc1cc(F)c(F)cc1F ZINC000814850016 1028244835 /nfs/dbraw/zinc/24/48/35/1028244835.db2.gz ULLUKCNOQRYEFP-UHFFFAOYSA-N -1 0 300.280 3.537 20 30 DHEDRM CC(=NNc1cc(F)c(F)c(F)c1)c1csc(C(=O)[O-])c1 ZINC000814864079 1028249834 /nfs/dbraw/zinc/24/98/34/1028249834.db2.gz OLZYWALAACOCJB-UHFFFAOYSA-N -1 0 314.288 3.700 20 30 DHEDRM CC(=NNCc1ccc(Cl)cc1)c1csc(C(=O)[O-])c1 ZINC000814873324 1028255550 /nfs/dbraw/zinc/25/55/50/1028255550.db2.gz WSMJAWVJGUQIIV-UHFFFAOYSA-N -1 0 308.790 3.614 20 30 DHEDRM Cc1cc2ccccc2nc1N=NC1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000814896020 1028266500 /nfs/dbraw/zinc/26/65/00/1028266500.db2.gz 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1028961456 /nfs/dbraw/zinc/96/14/56/1028961456.db2.gz VJLOAABKXBABAI-UHFFFAOYSA-N -1 0 323.801 3.536 20 30 DHEDRM CC(C)CS(=O)(=O)[N-]C(=O)C(C)(C)c1cccc(Cl)c1 ZINC000077868025 1029149104 /nfs/dbraw/zinc/14/91/04/1029149104.db2.gz CDWJPMIHPHSQBL-UHFFFAOYSA-N -1 0 317.838 3.560 20 30 DHEDRM CC(C)[C@H](C#N)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817441165 1029170929 /nfs/dbraw/zinc/17/09/29/1029170929.db2.gz GWYJJSXZBPTKNX-NSHDSACASA-N -1 0 321.154 3.750 20 30 DHEDRM C[C@H]1CC(N=Nc2cc(Cl)nc(Cl)c2)CC[C@H]1C(=O)[O-] ZINC000819828547 1029619127 /nfs/dbraw/zinc/61/91/27/1029619127.db2.gz HZVRMXKGASRRLV-OIBJUYFYSA-N -1 0 316.188 3.677 20 30 DHEDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1ccc(C#N)cc1 ZINC000794928437 1030342737 /nfs/dbraw/zinc/34/27/37/1030342737.db2.gz XCVASSKMFGCMRJ-FPLPWBNLSA-N -1 0 305.333 3.769 20 30 DHEDRM Cc1ccccc1-n1nccc1/C=C1/Oc2cc(O)ccc2C1=O ZINC000794936641 1030411499 /nfs/dbraw/zinc/41/14/99/1030411499.db2.gz CSQWHHVJXRYEIS-VCHYOVAHSA-N -1 0 318.332 3.503 20 30 DHEDRM O=C(/C=C/c1c(F)ccc(O)c1F)c1cc(F)cc(F)c1[O-] ZINC000794940840 1030422817 /nfs/dbraw/zinc/42/28/17/1030422817.db2.gz DDLNARCJIZKSOW-HNQUOIGGSA-N -1 0 312.218 3.550 20 30 DHEDRM Cc1cc(C)c(C(=O)[O-])cc1C=CC(=O)c1c[nH]c2ncccc12 ZINC000794941269 1030423794 /nfs/dbraw/zinc/42/37/94/1030423794.db2.gz MOYUJVCIPRLFKS-WAYWQWQTSA-N -1 0 320.348 3.774 20 30 DHEDRM Cn1cc2c(n1)CC/C(=C/c1cc(Cl)c([O-])cc1Cl)C2=O ZINC000794961526 1030455184 /nfs/dbraw/zinc/45/51/84/1030455184.db2.gz GXZJNBCMPSGMDW-YWEYNIOJSA-N -1 0 323.179 3.645 20 30 DHEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)nn1C(C)(C)C ZINC000054736691 1031022951 /nfs/dbraw/zinc/02/29/51/1031022951.db2.gz PCLPRMKLMATNJX-GFCCVEGCSA-N -1 0 322.368 3.578 20 30 DHEDRM CCC1(C(=O)[N-]Oc2cccc(C#N)c2)CCC(F)(F)CC1 ZINC000870690290 1031063889 /nfs/dbraw/zinc/06/38/89/1031063889.db2.gz MDVDEKBQYLJRAO-UHFFFAOYSA-N -1 0 308.328 3.574 20 30 DHEDRM CCCc1cccc(C=C2CCc3c(C#N)c(=O)[n-]cc3C2=O)c1 ZINC000844554392 1031210478 /nfs/dbraw/zinc/21/04/78/1031210478.db2.gz 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1031414439 /nfs/dbraw/zinc/41/44/39/1031414439.db2.gz XGGHXWDHJPSMNT-WYMLVPIESA-N -1 0 302.370 3.703 20 30 DHEDRM Cc1ccc(SCC/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000035402624 1031665642 /nfs/dbraw/zinc/66/56/42/1031665642.db2.gz JJPDGXBAFRWWAM-GZTJUZNOSA-N -1 0 316.382 3.820 20 30 DHEDRM CC1(C)CC(C(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)C1 ZINC000845832981 1031733871 /nfs/dbraw/zinc/73/38/71/1031733871.db2.gz CLBNOYQQGBNYPW-ZDUSSCGKSA-N -1 0 315.438 3.955 20 30 DHEDRM N#CC(C(=O)[C@H]1CC=CCC1)=C([O-])c1cc2c(s1)CCCC2 ZINC000845836454 1031736078 /nfs/dbraw/zinc/73/60/78/1031736078.db2.gz KKYLICVAKBOCOA-JSGCOSHPSA-N -1 0 313.422 3.875 20 30 DHEDRM N#CC(C(=O)[C@@H]1CC=CCC1)=C([O-])c1cc2c(s1)CCCC2 ZINC000845836457 1031736464 /nfs/dbraw/zinc/73/64/64/1031736464.db2.gz KKYLICVAKBOCOA-TZMCWYRMSA-N -1 0 313.422 3.875 20 30 DHEDRM Cc1ccc(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)s1 ZINC000845837911 1031737385 /nfs/dbraw/zinc/73/73/85/1031737385.db2.gz RTKWPSFLSBFDHL-AWEZNQCLSA-N -1 0 309.390 3.680 20 30 DHEDRM Cc1scc(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)c1C ZINC000845841181 1031738425 /nfs/dbraw/zinc/73/84/25/1031738425.db2.gz LGOXTQJMIMCVTF-HNNXBMFYSA-N -1 0 323.417 3.988 20 30 DHEDRM CCc1ccsc1C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845840136 1031740735 /nfs/dbraw/zinc/74/07/35/1031740735.db2.gz ZXSXSPHNBODMTE-OAHLLOKOSA-N -1 0 323.417 3.934 20 30 DHEDRM Cc1ccc(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)cc1 ZINC000845841980 1031740804 /nfs/dbraw/zinc/74/08/04/1031740804.db2.gz SUXMRJRNRGMYQW-KRWDZBQOSA-N -1 0 303.361 3.618 20 30 DHEDRM N#Cc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c([O-])cc1F ZINC001144768092 1031950595 /nfs/dbraw/zinc/95/05/95/1031950595.db2.gz JRMBFLVPBSWJQY-UHFFFAOYSA-N -1 0 314.360 3.558 20 30 DHEDRM Cc1c[nH]cc1C([O-])=C(C#N)c1nc(-c2ccccc2)cs1 ZINC000338402466 1033339347 /nfs/dbraw/zinc/33/93/47/1033339347.db2.gz ZCWRNIOWTPULLD-ZDUSSCGKSA-N -1 0 307.378 3.937 20 30 DHEDRM CC(C)(C)c1[n-]n(Cc2ccc(F)cc2F)c(=O)c1CCC#N ZINC000153503745 1033580982 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DHEDRM Cc1cc(C#N)cc(C#N)c1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174499623 1034417718 /nfs/dbraw/zinc/41/77/18/1034417718.db2.gz GVFTWMDAGMTALC-AATRIKPKSA-N -1 0 303.321 3.580 20 30 DHEDRM Cc1cc(C(=O)/C=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)oc1C ZINC000794713449 1034429663 /nfs/dbraw/zinc/42/96/63/1034429663.db2.gz NYKUFYOVNSMABR-YSKGHYERSA-N -1 0 314.337 3.644 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1Nc1cc(C#N)ccc1Cl ZINC001174677077 1034542327 /nfs/dbraw/zinc/54/23/27/1034542327.db2.gz UQKCEXDPVTXEJJ-UHFFFAOYSA-N -1 0 302.717 3.662 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1Nc1ccc(C#N)c(Cl)c1 ZINC001174678007 1034544404 /nfs/dbraw/zinc/54/44/04/1034544404.db2.gz WIJCEEHVEOVSQD-UHFFFAOYSA-N -1 0 302.717 3.662 20 30 DHEDRM COc1cc(Nc2sc(C)c(C)c2C#N)ccc1C(=O)[O-] ZINC001174681514 1034548264 /nfs/dbraw/zinc/54/82/64/1034548264.db2.gz VNWWCEVUKOJVOD-UHFFFAOYSA-N -1 0 302.355 3.687 20 30 DHEDRM Cn1cc(/C=C\C(=O)c2ccc([O-])cc2Cl)c(C2CC2)n1 ZINC000899393254 1034645051 /nfs/dbraw/zinc/64/50/51/1034645051.db2.gz 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/nfs/dbraw/zinc/31/77/91/1035317791.db2.gz BUPMDAYNUYOVFF-UHFFFAOYSA-N -1 0 309.291 3.981 20 30 DHEDRM N#Cc1cc(Nc2ccc(C(=O)[O-])cc2)ccc1N1CCCC1 ZINC001176714444 1035326776 /nfs/dbraw/zinc/32/67/76/1035326776.db2.gz CVUXAARNCYHNKP-UHFFFAOYSA-N -1 0 307.353 3.600 20 30 DHEDRM C=C(C)COc1cccc(N[C@H]2C[C@@H](NC(=O)[O-])C23CCC3)c1 ZINC000904201191 1035384354 /nfs/dbraw/zinc/38/43/54/1035384354.db2.gz XUWDSAIVQFVVJT-JKSUJKDBSA-N -1 0 316.401 3.632 20 30 DHEDRM Cc1cc(F)cc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c1Cl ZINC001193310265 1035605315 /nfs/dbraw/zinc/60/53/15/1035605315.db2.gz HWGCIDGGRLYIBH-UHFFFAOYSA-N -1 0 322.698 3.756 20 30 DHEDRM CCN(CC)c1ccc(NC(=O)c2ccc([O-])c(C#N)c2)c(C)c1 ZINC001193505901 1035654451 /nfs/dbraw/zinc/65/44/51/1035654451.db2.gz PQGBTRSGMWMFDN-UHFFFAOYSA-N -1 0 323.396 3.671 20 30 DHEDRM CC(C)[C@H](NC(=O)c1ccc([O-])c(C#N)c1)c1ccc(F)cc1 ZINC001193515911 1035655887 /nfs/dbraw/zinc/65/58/87/1035655887.db2.gz VEECKDNKEXXMLX-KRWDZBQOSA-N -1 0 312.344 3.530 20 30 DHEDRM C[C@H](C#N)c1ccc(NC(=O)c2cc(O)c([O-])c(Cl)c2)cc1 ZINC001193624391 1035677167 /nfs/dbraw/zinc/67/71/67/1035677167.db2.gz CEHVNMZWOMXKMT-SECBINFHSA-N -1 0 316.744 3.631 20 30 DHEDRM N#Cc1cccc(C(=O)Nc2ccccc2-c2nccs2)c1[O-] ZINC001193653446 1035694013 /nfs/dbraw/zinc/69/40/13/1035694013.db2.gz ZBUCXGFCISGANV-UHFFFAOYSA-N -1 0 321.361 3.640 20 30 DHEDRM N#Cc1cccc(C(=O)Nc2c(Cl)ccc3ncccc32)c1[O-] ZINC001193653226 1035695409 /nfs/dbraw/zinc/69/54/09/1035695409.db2.gz VWOJJLWWWOAMKC-UHFFFAOYSA-N -1 0 323.739 3.718 20 30 DHEDRM N#Cc1oc2ccccc2c1NC(=O)c1ccc(F)c([O-])c1F ZINC001193770103 1035736384 /nfs/dbraw/zinc/73/63/84/1035736384.db2.gz MFMTVZGMCGGQDK-UHFFFAOYSA-N -1 0 314.247 3.541 20 30 DHEDRM COCCC1(C/N=C\c2cc([N+](=O)[O-])ccc2[O-])CCCCC1 ZINC000773905367 1035856524 /nfs/dbraw/zinc/85/65/24/1035856524.db2.gz LLUDPCUSEZWFTL-PDGQHHTCSA-N -1 0 320.389 3.706 20 30 DHEDRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc(Cl)c1C#N ZINC001194639928 1035977983 /nfs/dbraw/zinc/97/79/83/1035977983.db2.gz 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N#Cc1ccc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])s1 ZINC000833072820 601277373 /nfs/dbraw/zinc/27/73/73/601277373.db2.gz ZVAFSFOUXAPDRD-UHFFFAOYSA-N -1 0 322.345 3.723 20 30 DHEDRM N#Cc1cccc([C@H](Nc2ccc(F)c(Cl)c2)C(=O)[O-])c1 ZINC000833075288 601298017 /nfs/dbraw/zinc/29/80/17/601298017.db2.gz JTVIWRSOYKAASI-AWEZNQCLSA-N -1 0 304.708 3.589 20 30 DHEDRM CCCCOc1cccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000829422202 601301803 /nfs/dbraw/zinc/30/18/03/601301803.db2.gz QVJQKHFQFWBPNO-SFHVURJKSA-N -1 0 324.380 3.975 20 30 DHEDRM CC(C)OCc1cccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000827033679 601302806 /nfs/dbraw/zinc/30/28/06/601302806.db2.gz ODDTVQRLBLBWNI-GOSISDBHSA-N -1 0 324.380 3.721 20 30 DHEDRM C=C(C)COc1cccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000825647653 601303551 /nfs/dbraw/zinc/30/35/51/601303551.db2.gz SZOADSFKEVDYLA-SFHVURJKSA-N -1 0 322.364 3.751 20 30 DHEDRM O=C([O-])c1ccc(C=NN(Cc2ccccc2)c2ccccc2)[nH]1 ZINC000749806407 601334835 /nfs/dbraw/zinc/33/48/35/601334835.db2.gz CQYLNCIOWOCSHG-UHFFFAOYSA-N -1 0 319.364 3.754 20 30 DHEDRM O=C([O-])c1ccc(C=NN=C(c2ccccc2)c2ccccc2)[nH]1 ZINC000749806725 601335160 /nfs/dbraw/zinc/33/51/60/601335160.db2.gz GBEDGXLAHZQFCD-UHFFFAOYSA-N -1 0 317.348 3.584 20 30 DHEDRM CCc1oc(C(=O)[O-])cc1COc1ccc(C#N)cc1Cl ZINC000830395338 601405297 /nfs/dbraw/zinc/40/52/97/601405297.db2.gz YVEJGZRNIWUXSQ-UHFFFAOYSA-N -1 0 305.717 3.644 20 30 DHEDRM CCc1oc(C(=O)[O-])cc1CSc1ccc(C#N)cc1F ZINC000830394800 601408138 /nfs/dbraw/zinc/40/81/38/601408138.db2.gz MVBXYZHBFVABPI-UHFFFAOYSA-N -1 0 305.330 3.843 20 30 DHEDRM O=C([O-])c1ccc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)[nH]1 ZINC000833095772 601444669 /nfs/dbraw/zinc/44/46/69/601444669.db2.gz XEMJTJMNMDLCII-FNORWQNLSA-N -1 0 309.243 3.628 20 30 DHEDRM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)[nH]1 ZINC000833093776 601444672 /nfs/dbraw/zinc/44/46/72/601444672.db2.gz ARYNMWBZOFEDQB-ZZXKWVIFSA-N -1 0 310.136 3.916 20 30 DHEDRM O=C([O-])NCc1ccc(NCC#Cc2ccc(Cl)cc2)cc1 ZINC000833280118 601579274 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Cc1cc(C)c(C#N)c(SCc2ccc(C(=O)[O-])s2)n1 ZINC000020395604 601889145 /nfs/dbraw/zinc/88/91/45/601889145.db2.gz NGLIWQJYUBNKGV-UHFFFAOYSA-N -1 0 304.396 3.622 20 30 DHEDRM Cc1ccc(C(=O)/C=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)s1 ZINC000794695920 602107612 /nfs/dbraw/zinc/10/76/12/602107612.db2.gz ATVOAUGKMSPHNF-PWWFUAJNSA-N -1 0 316.378 3.805 20 30 DHEDRM O=C([O-])c1ccc(/C=C/C(=O)c2cc3c(s2)CCCC3)o1 ZINC000833311880 602150224 /nfs/dbraw/zinc/15/02/24/602150224.db2.gz FBJFXFIDIYVBGR-FNORWQNLSA-N -1 0 302.351 3.814 20 30 DHEDRM CC1(C)Cc2cc(N[C@@H](C(=O)[O-])c3ccc(C#N)cc3)ccc2O1 ZINC000828078675 602303484 /nfs/dbraw/zinc/30/34/84/602303484.db2.gz MYESFDOYQGZPCB-QGZVFWFLSA-N -1 0 322.364 3.510 20 30 DHEDRM C#Cc1cccc(NC(=S)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000736095394 602430946 /nfs/dbraw/zinc/43/09/46/602430946.db2.gz UFBCZWDZPJEMPO-UHFFFAOYSA-N -1 0 311.366 3.567 20 30 DHEDRM C#Cc1cccc(NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000823473855 603264240 /nfs/dbraw/zinc/26/42/40/603264240.db2.gz 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/nfs/dbraw/zinc/32/35/75/605323575.db2.gz FPQHWUKJWAXEBA-UHFFFAOYSA-N -1 0 318.760 3.640 20 30 DHEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1ccc2ccccc2n1 ZINC000749807884 605591603 /nfs/dbraw/zinc/59/16/03/605591603.db2.gz QARKXIUGWLEQHZ-UHFFFAOYSA-N -1 0 305.337 3.769 20 30 DHEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000833387203 605594487 /nfs/dbraw/zinc/59/44/87/605594487.db2.gz UAZLFXUWDXUUJF-UHFFFAOYSA-N -1 0 320.295 3.822 20 30 DHEDRM C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001602730083 971406164 /nfs/dbraw/zinc/40/61/64/971406164.db2.gz RLYRSDWSBXWZKA-OAHLLOKOSA-N -1 0 316.401 3.619 20 30 DHEDRM CCCCCCCCCN(C)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000918397869 957094812 /nfs/dbraw/zinc/09/48/12/957094812.db2.gz PIZPCCMTOMFCHL-UHFFFAOYSA-N -1 0 306.406 3.602 20 30 DHEDRM C#CCN(CC(=O)[O-])[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC001588420478 958205831 /nfs/dbraw/zinc/20/58/31/958205831.db2.gz ZQNZRTSYLGHBMG-OAHLLOKOSA-N -1 0 309.365 3.560 20 30 DHEDRM C=C[C@@H](CC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1)c1ccccc1 ZINC001588451541 958413690 /nfs/dbraw/zinc/41/36/90/958413690.db2.gz ZFNKGEVODCJDGT-KXBFYZLASA-N -1 0 323.392 3.597 20 30 DHEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001588457747 958454131 /nfs/dbraw/zinc/45/41/31/958454131.db2.gz LAXPPBJSTZRZFP-JYJNAYRXSA-N -1 0 324.465 3.558 20 30 DHEDRM C=CCCC[C@H](C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1ccccc1 ZINC001573328886 958502745 /nfs/dbraw/zinc/50/27/45/958502745.db2.gz RELASHRFOLXXLA-DLBZAZTESA-N -1 0 317.429 3.600 20 30 DHEDRM O=C([O-])c1cccc(/C=C/C(=O)c2c[nH]c3cc(F)ccc23)c1 ZINC000126414442 958590068 /nfs/dbraw/zinc/59/00/68/958590068.db2.gz MURIBQXXCHOJCY-QPJJXVBHSA-N -1 0 309.296 3.901 20 30 DHEDRM C=C[C@H](CC(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC000191033350 959536311 /nfs/dbraw/zinc/53/63/11/959536311.db2.gz KQYLSSDRNUKRQF-CQSZACIVSA-N -1 0 309.365 3.992 20 30 DHEDRM Cc1ccc(O)c2c1[C@@H](C)CC2=NNc1ccc(CC(=O)[O-])cc1 ZINC001329100587 961238916 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C=CC1(CC(=O)NC2(C(=O)[O-])CCCCCC2)CCCCC1 ZINC001573351919 962983119 /nfs/dbraw/zinc/98/31/19/962983119.db2.gz YVNHFKQUJTXRRJ-UHFFFAOYSA-N -1 0 307.434 3.807 20 30 DHEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001573353198 962997968 /nfs/dbraw/zinc/99/79/68/962997968.db2.gz RKCIMSFPGOTWKV-CJNGLKHVSA-N -1 0 316.401 3.950 20 30 DHEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001573353238 962998814 /nfs/dbraw/zinc/99/88/14/962998814.db2.gz SNXJIDFQSKCRFP-BBRMVZONSA-N -1 0 301.386 3.558 20 30 DHEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001573353244 962999557 /nfs/dbraw/zinc/99/95/57/962999557.db2.gz SNXJIDFQSKCRFP-XJKSGUPXSA-N -1 0 301.386 3.558 20 30 DHEDRM C=CCC[C@H](CCC)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001573357748 963020636 /nfs/dbraw/zinc/02/06/36/963020636.db2.gz RTZOTCZOQNNVCN-AWEZNQCLSA-N -1 0 301.390 3.668 20 30 DHEDRM C=CCCCCCCCNC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001573365059 963052642 /nfs/dbraw/zinc/05/26/42/963052642.db2.gz 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ZINC000076766648 1013853991 /nfs/dbraw/zinc/85/39/91/1013853991.db2.gz IJFIUDHJSLBQJT-DOMZBBRYSA-N -1 0 321.442 3.647 20 30 DHEDRM C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)CC2CCCCC2)C1 ZINC000076905706 1013854052 /nfs/dbraw/zinc/85/40/52/1013854052.db2.gz JPUFBENVVZSWHO-OCCSQVGLSA-N -1 0 301.452 3.679 20 30 DHEDRM Cc1nc(C([O-])=C(C#N)c2ccc3ccccc3n2)sc1C ZINC000683689599 1013857058 /nfs/dbraw/zinc/85/70/58/1013857058.db2.gz XYFKPLAVKMVWRT-CYBMUJFWSA-N -1 0 307.378 3.798 20 30 DHEDRM Cc1nc(C([O-])=C(C#N)c2nccc3ccccc32)sc1C ZINC000683691663 1013861313 /nfs/dbraw/zinc/86/13/13/1013861313.db2.gz JFUYXKBFGHPFLT-CQSZACIVSA-N -1 0 307.378 3.798 20 30 DHEDRM Cc1nc(C([O-])=C(C#N)c2nccc3ccccc32)sc1C ZINC000683691661 1013863242 /nfs/dbraw/zinc/86/32/42/1013863242.db2.gz JFUYXKBFGHPFLT-AWEZNQCLSA-N -1 0 307.378 3.798 20 30 DHEDRM O=C(NC1(CCO)CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000331227783 1013864923 /nfs/dbraw/zinc/86/49/23/1013864923.db2.gz DSQOXGNSSMLCPM-UHFFFAOYSA-N -1 0 318.200 3.699 20 30 DHEDRM COc1c(F)c(F)c(Nc2scc([O-])c2C#N)c(F)c1F ZINC001210763686 1014020303 /nfs/dbraw/zinc/02/03/03/1014020303.db2.gz GTBFPUFYXHMPPX-UHFFFAOYSA-N -1 0 318.251 3.634 20 30 DHEDRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1Cl ZINC000748147612 1014028894 /nfs/dbraw/zinc/02/88/94/1014028894.db2.gz HYRHEAZJZUBQBK-SOFGYWHQSA-N -1 0 303.701 3.850 20 30 DHEDRM CCCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000050204937 1014112217 /nfs/dbraw/zinc/11/22/17/1014112217.db2.gz NKRMKTZBKURQBW-OLZOCXBDSA-N -1 0 315.822 3.530 20 30 DHEDRM CC[C@H]1CCc2c(sc(NC(=O)CCCC#N)c2C(=O)[O-])C1 ZINC001603625201 973935483 /nfs/dbraw/zinc/93/54/83/973935483.db2.gz WKOCMQQWDCZMBF-JTQLQIEISA-N -1 0 320.414 3.594 20 30 DHEDRM CC(C)(C)c1ncc(/C=C/C(=O)c2ccc(O)cc2[O-])s1 ZINC000156630825 1014290563 /nfs/dbraw/zinc/29/05/63/1014290563.db2.gz DMFOTIIRZXKEAN-FNORWQNLSA-N -1 0 303.383 3.748 20 30 DHEDRM CC(C)Oc1cccc(/C=C\C(=O)c2cc(C(=O)[O-])co2)c1 ZINC001591792107 975993798 /nfs/dbraw/zinc/99/37/98/975993798.db2.gz FQZRLPDHNBIDAT-SREVYHEPSA-N -1 0 300.310 3.661 20 30 DHEDRM CCc1oc2ccccc2c1C=NNc1ccc(C(=O)[O-])cn1 ZINC000763369433 978722019 /nfs/dbraw/zinc/72/20/19/978722019.db2.gz VYINPPBYWOGNSG-UHFFFAOYSA-N -1 0 309.325 3.534 20 30 DHEDRM O=C([O-])c1cccc(N=NC2CC(OCc3ccccc3)C2)c1 ZINC000782109885 978791596 /nfs/dbraw/zinc/79/15/96/978791596.db2.gz BQXRQDMQURVCBJ-UHFFFAOYSA-N -1 0 310.353 3.532 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1N=NC1CCC[C@@H]1CCCF ZINC000800815288 978847536 /nfs/dbraw/zinc/84/75/36/978847536.db2.gz RXWRWECIYGLEPU-LLVKDONJSA-N -1 0 308.353 3.711 20 30 DHEDRM C[C@H]1C(N=Nc2nc3ccccc3s2)CC[C@@H]1CC(=O)[O-] ZINC000814685759 978871910 /nfs/dbraw/zinc/87/19/10/978871910.db2.gz WCGBZHDFYGULHK-NXEZZACHSA-N -1 0 303.387 3.585 20 30 DHEDRM C[C@@H]1C(N=Nc2nccc3sccc32)CC[C@@H]1CC(=O)[O-] ZINC000814809249 978887314 /nfs/dbraw/zinc/88/73/14/978887314.db2.gz TXTVCDKCDKLBQT-VHSXEESVSA-N -1 0 303.387 3.585 20 30 DHEDRM C[C@@H]1C(N=Nc2ccc(OC(F)F)cc2)CC[C@H]1CC(=O)[O-] ZINC000814828441 978889702 /nfs/dbraw/zinc/88/97/02/978889702.db2.gz CQFDGILGCVVISK-UWVGGRQHSA-N -1 0 312.316 3.577 20 30 DHEDRM O=C([O-])C1CCC(=NNCc2c(Cl)cccc2Cl)CC1 ZINC000814938098 978899604 /nfs/dbraw/zinc/89/96/04/978899604.db2.gz GJBQRVZHXNDZBN-UHFFFAOYSA-N -1 0 315.200 3.714 20 30 DHEDRM CCCCCCCC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000844157248 979345642 /nfs/dbraw/zinc/34/56/42/979345642.db2.gz NZDOKQDRZQTZEX-IBGZPJMESA-N -1 0 317.429 3.602 20 30 DHEDRM CCCCCCCC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000846714914 979464143 /nfs/dbraw/zinc/46/41/43/979464143.db2.gz CSMRIDXVJOMJPG-CVEARBPZSA-N -1 0 303.402 3.776 20 30 DHEDRM CCn1cc(C(=O)/C=C/c2cc(Cl)c([O-])cc2Cl)cn1 ZINC000134394966 1014599110 /nfs/dbraw/zinc/59/91/10/1014599110.db2.gz KNMUKTKAPHROIE-ONEGZZNKSA-N -1 0 311.168 3.812 20 30 DHEDRM CC[C@H](Nc1cccc(OCCCC#N)c1)C1(C(=O)[O-])CCC1 ZINC001595318272 980499272 /nfs/dbraw/zinc/49/92/72/980499272.db2.gz JFSXJTWSJNCTOL-INIZCTEOSA-N -1 0 316.401 3.815 20 30 DHEDRM C=CC1(CC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)CCCCC1 ZINC000907627676 981201921 /nfs/dbraw/zinc/20/19/21/981201921.db2.gz HRESTWFLITULSG-OAHLLOKOSA-N -1 0 321.461 3.862 20 30 DHEDRM C=CC(C)(C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000909326202 981468808 /nfs/dbraw/zinc/46/88/08/981468808.db2.gz SKXONUVOEOSREA-CQSZACIVSA-N -1 0 321.442 3.643 20 30 DHEDRM C=CC(C)(C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000909326200 981468817 /nfs/dbraw/zinc/46/88/17/981468817.db2.gz SKXONUVOEOSREA-AWEZNQCLSA-N -1 0 321.442 3.643 20 30 DHEDRM N#CC(=C([O-])c1csc(-c2ccc(F)cc2)n1)c1ccccn1 ZINC000126493498 1014737305 /nfs/dbraw/zinc/73/73/05/1014737305.db2.gz YDLMJUALVJODKN-CYBMUJFWSA-N -1 0 323.352 3.834 20 30 DHEDRM C=C1CCC(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000909369874 981474876 /nfs/dbraw/zinc/47/48/76/981474876.db2.gz GONPZXUQHNDLDJ-HNNXBMFYSA-N -1 0 321.804 3.718 20 30 DHEDRM C=C1CCC(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)CC1 ZINC000909522746 981528572 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CC(C)OCc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000255311696 1014917385 /nfs/dbraw/zinc/91/73/85/1014917385.db2.gz IZJHIYHKPLHSMU-UHFFFAOYSA-N -1 0 314.341 3.976 20 30 DHEDRM C#C[C@H](NCc1ccc(C(=O)[O-])c(C)c1)c1ccc(Cl)cc1 ZINC001588377553 983357123 /nfs/dbraw/zinc/35/71/23/983357123.db2.gz MXYIBCHGVLQRAI-KRWDZBQOSA-N -1 0 313.784 3.811 20 30 DHEDRM C#CC[C@@H](Cc1ccccc1)Nc1nc(Cl)c(C(=O)[O-])s1 ZINC001588393667 983399367 /nfs/dbraw/zinc/39/93/67/983399367.db2.gz DZRRZTJHNGTKMO-NSHDSACASA-N -1 0 320.801 3.541 20 30 DHEDRM C#Cc1ccc(NCc2ccc(C(=O)[O-])cc2F)c(Cl)c1 ZINC001588518265 983569027 /nfs/dbraw/zinc/56/90/27/983569027.db2.gz YQWBCAXNZMLUNY-UHFFFAOYSA-N -1 0 303.720 3.771 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N([C@H](C)c1ccccc1Cl)C1CC1 ZINC001588612195 983702199 /nfs/dbraw/zinc/70/21/99/983702199.db2.gz KTHZMRYEWKAUOD-GFCCVEGCSA-N -1 0 321.804 3.813 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001588621741 983720597 /nfs/dbraw/zinc/72/05/97/983720597.db2.gz IZMFZSSDNCSPCB-UKRRQHHQSA-N -1 0 321.804 3.513 20 30 DHEDRM C=C[C@H](C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC001588664563 983801894 /nfs/dbraw/zinc/80/18/94/983801894.db2.gz RSSKZAALFPBMQT-FHLIZLRMSA-N -1 0 323.392 3.534 20 30 DHEDRM C=CC(C)(C)CCCNC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001588673456 983830913 /nfs/dbraw/zinc/83/09/13/983830913.db2.gz ZBMYLQFRRIJYNH-UHFFFAOYSA-N -1 0 309.793 3.760 20 30 DHEDRM C=C[C@@H](S[C@@H](C)c1cccc(Br)c1)C(=O)[O-] ZINC001588714405 983951153 /nfs/dbraw/zinc/95/11/53/983951153.db2.gz GOCHZAYVVZRRSB-GZMMTYOYSA-N -1 0 301.205 3.883 20 30 DHEDRM C=C[C@@H](Sc1nnc(-c2cccc3ccccc32)o1)C(=O)[O-] ZINC001588714988 983954077 /nfs/dbraw/zinc/95/40/77/983954077.db2.gz QQPWQUOKXGZLSW-CYBMUJFWSA-N -1 0 312.350 3.621 20 30 DHEDRM C=CC[C@@H](C(=O)O[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC001588731904 984012720 /nfs/dbraw/zinc/01/27/20/984012720.db2.gz QBFUFHKSRFIUTN-MSOLQXFVSA-N -1 0 324.376 3.585 20 30 DHEDRM C=CCC(C)(C)C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001588736718 984026550 /nfs/dbraw/zinc/02/65/50/984026550.db2.gz SFSQAILAJVXWHP-OAHLLOKOSA-N -1 0 302.370 3.908 20 30 DHEDRM C=CC[C@@H](OC(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001588755644 984094532 /nfs/dbraw/zinc/09/45/32/984094532.db2.gz BSRQWOMGVLZCJL-MRXNPFEDSA-N -1 0 314.312 3.998 20 30 DHEDRM C=CC[C@H](OC(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001588755642 984094611 /nfs/dbraw/zinc/09/46/11/984094611.db2.gz BSRQWOMGVLZCJL-INIZCTEOSA-N -1 0 314.312 3.998 20 30 DHEDRM C=CCC1(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)CCCCC1 ZINC001588761714 984114219 /nfs/dbraw/zinc/11/42/19/984114219.db2.gz ALYJGKYOZDAOLH-INIZCTEOSA-N -1 0 321.461 3.910 20 30 DHEDRM C=CCC1(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CCCC1 ZINC001588762996 984118118 /nfs/dbraw/zinc/11/81/18/984118118.db2.gz PJQXLJCEZZDNIR-HNNXBMFYSA-N -1 0 307.434 3.663 20 30 DHEDRM C=CCC1(NC(=O)c2cc(F)cc(C(=O)[O-])c2)CCCCC1 ZINC001588767113 984128255 /nfs/dbraw/zinc/12/82/55/984128255.db2.gz JVLKWFMOXJTHFY-UHFFFAOYSA-N -1 0 305.349 3.533 20 30 DHEDRM C=CCC1(NC(=O)NCc2ccc(C(=O)[O-])s2)CCCCC1 ZINC001588767296 984129370 /nfs/dbraw/zinc/12/93/70/984129370.db2.gz SOTGRUNCCNYUKO-UHFFFAOYSA-N -1 0 322.430 3.525 20 30 DHEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001588770540 984134630 /nfs/dbraw/zinc/13/46/30/984134630.db2.gz ARYBUNKPPRFEJV-BXUZGUMPSA-N -1 0 320.364 3.780 20 30 DHEDRM C=CC[C@H]1CCCN(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)C1 ZINC001588771484 984140258 /nfs/dbraw/zinc/14/02/58/984140258.db2.gz VYLFPEHOTGLFMZ-ZDUSSCGKSA-N -1 0 302.374 3.513 20 30 DHEDRM C=CCCCC(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001588781850 984168423 /nfs/dbraw/zinc/16/84/23/984168423.db2.gz JUMCAZGLXJVVQK-MRXNPFEDSA-N -1 0 309.793 3.502 20 30 DHEDRM C=CCCCC(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001588782958 984175190 /nfs/dbraw/zinc/17/51/90/984175190.db2.gz QQUPIWWKQFAJTA-UHFFFAOYSA-N -1 0 302.157 3.986 20 30 DHEDRM C=CCCC[C@H](C(=O)Nc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC001588783151 984177351 /nfs/dbraw/zinc/17/73/51/984177351.db2.gz ZUXWMDCKQYTYEP-INIZCTEOSA-N -1 0 324.380 3.858 20 30 DHEDRM C=CCCC[C@H](NC(=O)[C@H](c1ccccc1)[C@H](C)CC)C(=O)[O-] ZINC001588784888 984178460 /nfs/dbraw/zinc/17/84/60/984178460.db2.gz CYBYAOXQEBEYDR-PVAVHDDUSA-N -1 0 317.429 3.742 20 30 DHEDRM C=CCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC001588789297 984197778 /nfs/dbraw/zinc/19/77/78/984197778.db2.gz ASCHSEVFWHDDRA-FPCVCCKLSA-N -1 0 307.434 3.519 20 30 DHEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2conc2C2CC2)s1 ZINC000581579039 1015012986 /nfs/dbraw/zinc/01/29/86/1015012986.db2.gz FWNQAYNEACXGDD-JTQLQIEISA-N -1 0 315.398 3.796 20 30 DHEDRM C=CCCC[C@H](NC(=O)c1ccc(Cl)c(CCC)c1)C(=O)[O-] ZINC001588792883 984213614 /nfs/dbraw/zinc/21/36/14/984213614.db2.gz OVOUJCVDEXLDEQ-HNNXBMFYSA-N -1 0 323.820 3.832 20 30 DHEDRM C=CCCC[C@@H](NC(=O)c1ccc(Cl)c(CCC)c1)C(=O)[O-] ZINC001588792885 984213795 /nfs/dbraw/zinc/21/37/95/984213795.db2.gz OVOUJCVDEXLDEQ-OAHLLOKOSA-N -1 0 323.820 3.832 20 30 DHEDRM C=CCCC[C@@H](NC(=O)c1cc(CC)c(CCC)s1)C(=O)[O-] ZINC001588793586 984220172 /nfs/dbraw/zinc/22/01/72/984220172.db2.gz ZYIQTQREQNSXKG-CYBMUJFWSA-N -1 0 323.458 3.802 20 30 DHEDRM C=CCCC[C@@H](NC(=O)c1cccc(C(C)(C)C)c1)C(=O)[O-] ZINC001588793542 984220221 /nfs/dbraw/zinc/22/02/21/984220221.db2.gz SHRWBEKVJDSGTE-OAHLLOKOSA-N -1 0 303.402 3.523 20 30 DHEDRM C=CCOc1cccc(N[C@H](Cc2ccc(C)cc2)C(=O)[O-])c1 ZINC001588872994 984443720 /nfs/dbraw/zinc/44/37/20/984443720.db2.gz XXCNHZFIWGSKPX-GOSISDBHSA-N -1 0 311.381 3.668 20 30 DHEDRM CC#CCCCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001588927308 984597783 /nfs/dbraw/zinc/59/77/83/984597783.db2.gz SEZKKEANJICKMC-UHFFFAOYSA-N -1 0 314.168 3.824 20 30 DHEDRM CC#CCCSCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001588930833 984599445 /nfs/dbraw/zinc/59/94/45/984599445.db2.gz BGQSJJQZZLZBSD-UHFFFAOYSA-N -1 0 301.367 3.686 20 30 DHEDRM CC(=[NH+][N-]c1cccc(C(=O)[O-])c1C)c1c(C)cc(N)cc1C ZINC001589017626 985005021 /nfs/dbraw/zinc/00/50/21/985005021.db2.gz WKPPJNKYCRVQHR-UHFFFAOYSA-N -1 0 311.385 3.728 20 30 DHEDRM O=C(/C=C\c1ccc([O-])c(Cl)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000255333500 1015090739 /nfs/dbraw/zinc/09/07/39/1015090739.db2.gz ZGMXXLQZMWDITG-RJRFIUFISA-N -1 0 319.700 3.556 20 30 DHEDRM Cc1ccc(C(=O)/C=C\c2ccc(O[C@H](C)C#N)cc2)c([O-])c1 ZINC000255356182 1015191294 /nfs/dbraw/zinc/19/12/94/1015191294.db2.gz DFHSIGJFSNQHAV-LBIZBFCRSA-N -1 0 307.349 3.888 20 30 DHEDRM CC(C)(C)C[C@@H](O)C/N=C\c1cc(Cl)cc(Cl)c1[O-] ZINC000255358465 1015216918 /nfs/dbraw/zinc/21/69/18/1015216918.db2.gz SMSUUOVPGZPXBA-OWHAOFTHSA-N -1 0 304.217 3.915 20 30 DHEDRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CC2(C#N)CCCCC2)c1 ZINC001589521757 987169850 /nfs/dbraw/zinc/16/98/50/987169850.db2.gz CVACGFKZTNNLSE-ZDUSSCGKSA-N -1 0 314.385 3.677 20 30 DHEDRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Nc2ccc(CC#N)cc2)c1 ZINC001589534255 987230139 /nfs/dbraw/zinc/23/01/39/987230139.db2.gz WZCRSCVASBPCBD-LBPRGKRZSA-N -1 0 323.352 3.585 20 30 DHEDRM CC(C)(C#N)[C@H]1CCCC1N=Nc1cccc(F)c1C(=O)[O-] ZINC001589553683 987292541 /nfs/dbraw/zinc/29/25/41/987292541.db2.gz GLSGJAZDXQUVTH-JTQLQIEISA-N -1 0 303.337 3.642 20 30 DHEDRM CC(C)(C#N)[C@@H]1CCCC1N=Nc1cccc(F)c1C(=O)[O-] ZINC001589553684 987292699 /nfs/dbraw/zinc/29/26/99/987292699.db2.gz GLSGJAZDXQUVTH-SNVBAGLBSA-N -1 0 303.337 3.642 20 30 DHEDRM CC(C)(C#N)[C@H]1CCCC1N=Nc1ccc(F)c(C(=O)[O-])c1 ZINC001589553946 987295680 /nfs/dbraw/zinc/29/56/80/987295680.db2.gz PFNVFETYJCAWFF-LBPRGKRZSA-N -1 0 303.337 3.642 20 30 DHEDRM CC(C)(C#N)CCSCCOc1ccc(/C=C\C(=O)[O-])cc1 ZINC001589554675 987302168 /nfs/dbraw/zinc/30/21/68/987302168.db2.gz KTVVWBXFQTYOMX-YVMONPNESA-N -1 0 319.426 3.836 20 30 DHEDRM CCc1c2ccccc2oc1C(=O)/C=C/c1cc(C(=O)[O-])n(C)c1 ZINC001597400740 987665473 /nfs/dbraw/zinc/66/54/73/987665473.db2.gz KRQAHRWLJYMJKC-CMDGGOBGSA-N -1 0 323.348 3.928 20 30 DHEDRM CCc1cccc(F)c1C=NNc1ccc(C)c(C(=O)[O-])c1 ZINC001597592913 988423864 /nfs/dbraw/zinc/42/38/64/988423864.db2.gz NDQMZYQJMAESMC-UHFFFAOYSA-N -1 0 300.333 3.841 20 30 DHEDRM CSc1ccc2c(c1)CC/C(=C\c1ccc(C(=O)[O-])o1)C2=O ZINC001599822998 988548134 /nfs/dbraw/zinc/54/81/34/988548134.db2.gz RHVNHLJMQOJAQQ-DHZHZOJOSA-N -1 0 314.362 3.912 20 30 DHEDRM CCc1ncc(C([O-])=C(C#N)c2nc3ccccc3s2)s1 ZINC000065042240 1015649394 /nfs/dbraw/zinc/64/93/94/1015649394.db2.gz OXYWCFACKCFIQA-SECBINFHSA-N -1 0 313.407 3.805 20 30 DHEDRM CC(C)[C@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc21 ZINC001591092877 991649879 /nfs/dbraw/zinc/64/98/79/991649879.db2.gz GAQRMFXFOZTKSL-MJGOQNOKSA-N -1 0 320.392 3.944 20 30 DHEDRM COc1ccc(C(=O)/C=C/c2ccc(C)cc2C)cc1CC(=O)[O-] ZINC000007353325 1015703572 /nfs/dbraw/zinc/70/35/72/1015703572.db2.gz ZKOURNWLSXLKLX-SOFGYWHQSA-N -1 0 324.376 3.835 20 30 DHEDRM O=C(Nc1nnc(C(F)(F)F)s1)c1cc(Cl)ccc1[O-] ZINC000029283459 1015794891 /nfs/dbraw/zinc/79/48/91/1015794891.db2.gz HGJPTXAJXKIBEY-UHFFFAOYSA-N -1 0 323.683 3.552 20 30 DHEDRM COc1cccc([C@H](Sc2ccc(C)cc2C#N)C(=O)[O-])c1 ZINC001599660978 994655949 /nfs/dbraw/zinc/65/59/49/994655949.db2.gz KNCCDNKEBVJBEM-INIZCTEOSA-N -1 0 313.378 3.793 20 30 DHEDRM O=C(/C=C\c1ccc(-n2cccn2)cc1)c1ccc([O-])c(F)c1 ZINC000255419132 1015914794 /nfs/dbraw/zinc/91/47/94/1015914794.db2.gz HQSJEPQENPUFFU-YWEYNIOJSA-N -1 0 308.312 3.613 20 30 DHEDRM O=C(/C=C\c1cnc(-c2ccccc2)nc1)c1ccc([O-])c(F)c1 ZINC000728439166 1016153297 /nfs/dbraw/zinc/15/32/97/1016153297.db2.gz VVGGZZLILFENGS-VURMDHGXSA-N -1 0 320.323 3.884 20 30 DHEDRM COc1ccc(/C=C\C(=O)[O-])cc1OCc1ccc(C)c(C#N)c1 ZINC001599546937 997939596 /nfs/dbraw/zinc/93/95/96/997939596.db2.gz PWAPESHWAACWGK-VURMDHGXSA-N -1 0 323.348 3.552 20 30 DHEDRM COc1ccc(C#N)cc1NCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599476460 998539824 /nfs/dbraw/zinc/53/98/24/998539824.db2.gz CMSMUXCWPDIEGH-UHFFFAOYSA-N -1 0 316.744 3.531 20 30 DHEDRM O=C([O-])c1ccc(C(=O)/C=C\c2scnc2C2CC2)s1 ZINC000782322981 1016285792 /nfs/dbraw/zinc/28/57/92/1016285792.db2.gz JTQPHVSHBLTTJD-ARJAWSKDSA-N -1 0 305.380 3.676 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2ccc(C(F)F)cc2)c1 ZINC000184833148 1016391867 /nfs/dbraw/zinc/39/18/67/1016391867.db2.gz AVVRMBJWLURQFK-GIJQJNRQSA-N -1 0 306.268 3.857 20 30 DHEDRM C=CCN(Cc1ccc(Cl)s1)[C@H](CC(C)C)C(=O)[O-] ZINC000563277454 1016478652 /nfs/dbraw/zinc/47/86/52/1016478652.db2.gz LWAMLAZNOLWMCU-GFCCVEGCSA-N -1 0 301.839 3.889 20 30 DHEDRM N#CC1(C(=O)Nc2ccc3[n-]c(=S)oc3c2)CCCCC1 ZINC000158359581 1016586749 /nfs/dbraw/zinc/58/67/49/1016586749.db2.gz ACPLIDDULVKCTQ-UHFFFAOYSA-N -1 0 301.371 3.529 20 30 DHEDRM CCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000075040406 1016685532 /nfs/dbraw/zinc/68/55/32/1016685532.db2.gz RNLWDYHZQIAETL-JTQLQIEISA-N -1 0 301.383 3.606 20 30 DHEDRM CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000075040405 1016686149 /nfs/dbraw/zinc/68/61/49/1016686149.db2.gz RNLWDYHZQIAETL-SNVBAGLBSA-N -1 0 301.383 3.606 20 30 DHEDRM CC(C)c1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C)s1 ZINC000122218404 1032513988 /nfs/dbraw/zinc/51/39/88/1032513988.db2.gz VXUILOTWXBXLSC-LLVKDONJSA-N -1 0 324.409 3.643 20 30 DHEDRM O=C(C=Cc1cccc(Br)n1)c1sccc1[O-] ZINC000773143195 1032577873 /nfs/dbraw/zinc/57/78/73/1032577873.db2.gz PMGVHXBTCVZFCR-PLNGDYQASA-N -1 0 310.172 3.507 20 30 DHEDRM O=C(/C=C/c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(O)cc1[O-] ZINC000126466243 1012479197 /nfs/dbraw/zinc/47/91/97/1012479197.db2.gz CLAWOIHYGMPUER-QHHAFSJGSA-N -1 0 319.700 3.556 20 30 DHEDRM CCn1cc(C([O-])=C(C#N)c2nc(C)cs2)c2ccccc21 ZINC000047358006 1012851767 /nfs/dbraw/zinc/85/17/67/1012851767.db2.gz ARDKKWJEJCFWOL-CYBMUJFWSA-N -1 0 309.394 3.916 20 30 DHEDRM O=C([O-])CCCOc1ccc(C(=O)/C=C/c2ccsc2)cc1 ZINC000023163970 1018023101 /nfs/dbraw/zinc/02/31/01/1018023101.db2.gz WVFOESXJWNQNLG-FPYGCLRLSA-N -1 0 316.378 3.888 20 30 DHEDRM COc1ccc(C(=O)/C=C\c2cc(C)ccc2C)cc1CC(=O)[O-] ZINC000213556496 1018257331 /nfs/dbraw/zinc/25/73/31/1018257331.db2.gz UTUODRAZAVSRNJ-VURMDHGXSA-N -1 0 324.376 3.835 20 30 DHEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N\CCOCC1CCC1 ZINC000764886511 1018416493 /nfs/dbraw/zinc/41/64/93/1018416493.db2.gz AQWZYLQGXZPVMO-IUXPMGMMSA-N -1 0 302.201 3.935 20 30 DHEDRM Cc1nc(Br)ccc1Nc1cc(C#N)c(F)cc1[O-] ZINC001212565604 1018501239 /nfs/dbraw/zinc/50/12/39/1018501239.db2.gz ATFZUGXTIZWYKY-UHFFFAOYSA-N -1 0 322.137 3.613 20 30 DHEDRM N#Cc1ccc(C(=O)NCc2cccc(Cl)c2Cl)cc1O ZINC000527198328 1018533745 /nfs/dbraw/zinc/53/37/45/1018533745.db2.gz WFXWCABRVOSGQE-UHFFFAOYSA-N -1 0 321.163 3.501 20 30 DHEDRM N#Cc1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)c(F)c1 ZINC000448112935 1018538351 /nfs/dbraw/zinc/53/83/51/1018538351.db2.gz HTALNLBYXQOUEW-MDWZMJQESA-N -1 0 322.295 3.854 20 30 DHEDRM N#Cc1c([O-])csc1Nc1cc(F)c(OC(F)F)c(F)c1 ZINC001212446902 1019047598 /nfs/dbraw/zinc/04/75/98/1019047598.db2.gz NKJNQBNKCFCQRI-UHFFFAOYSA-N -1 0 318.251 3.949 20 30 DHEDRM N#Cc1ccc([O-])c(NC(=O)Cc2ccc3ccccc3c2)c1 ZINC000176817392 1019067381 /nfs/dbraw/zinc/06/73/81/1019067381.db2.gz WWQPGLWGTHRHSI-UHFFFAOYSA-N -1 0 302.333 3.598 20 30 DHEDRM Cc1nn(C)cc1/C=C\C(=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000588594492 1019100531 /nfs/dbraw/zinc/10/05/31/1019100531.db2.gz GQWWAONPNKJWHL-ARJAWSKDSA-N -1 0 311.168 3.637 20 30 DHEDRM CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccco2)cc1 ZINC000131459725 1019507949 /nfs/dbraw/zinc/50/79/49/1019507949.db2.gz KWUGZKDRBFLUNR-WFASDCNBSA-N -1 0 310.353 3.754 20 30 DHEDRM CCCCCCCCC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000727056056 1019607087 /nfs/dbraw/zinc/60/70/87/1019607087.db2.gz FRUFJCRCZYZAAB-UHFFFAOYSA-N -1 0 317.389 3.719 20 30 DHEDRM CSC1(C/N=C\c2cc(Br)ccc2O)CCC1 ZINC000588610401 1019611643 /nfs/dbraw/zinc/61/16/43/1019611643.db2.gz DATHXKDLRGJYGU-NVNXTCNLSA-N -1 0 314.248 3.859 20 30 DHEDRM Cc1cc(C(=O)[O-])ccc1Nc1nc(Cl)cc(C)c1C#N ZINC001211621134 1019630016 /nfs/dbraw/zinc/63/00/16/1019630016.db2.gz YFODXQKHEQXSDA-UHFFFAOYSA-N -1 0 301.733 3.665 20 30 DHEDRM CC(=NNC1CCCC1)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000727652797 1019749711 /nfs/dbraw/zinc/74/97/11/1019749711.db2.gz ZOYQYOQGQLSTKY-UHFFFAOYSA-N -1 0 312.369 3.901 20 30 DHEDRM 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O=C([O-])CCOc1cccc(C=NNc2ccccc2Cl)c1 ZINC000746676358 1023786159 /nfs/dbraw/zinc/78/61/59/1023786159.db2.gz CSUKSUYBOKOBTI-UHFFFAOYSA-N -1 0 318.760 3.640 20 30 DHEDRM Cc1ccc(C)c(NN=Cc2cccc(O[C@@H](C)C(=O)[O-])c2)c1 ZINC000746683461 1023794331 /nfs/dbraw/zinc/79/43/31/1023794331.db2.gz WUSCTVWEUIVBOA-AWEZNQCLSA-N -1 0 312.369 3.601 20 30 DHEDRM C=CCOc1ccccc1CNC(=O)c1cccc(Cl)c1[O-] ZINC001126159720 1023798606 /nfs/dbraw/zinc/79/86/06/1023798606.db2.gz HEGZVEMSLRPMCS-UHFFFAOYSA-N -1 0 317.772 3.540 20 30 DHEDRM O=C(C=Cc1ccc(OCC(F)F)cc1)c1sccc1[O-] ZINC000787479881 1023798618 /nfs/dbraw/zinc/79/86/18/1023798618.db2.gz NQZVJMYATCABHU-ZZXKWVIFSA-N -1 0 310.321 3.994 20 30 DHEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)c(CC)s1 ZINC000125600986 1023813790 /nfs/dbraw/zinc/81/37/90/1023813790.db2.gz RCQCICSANGTYSE-ZDUSSCGKSA-N -1 0 320.458 3.638 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(Cl)nc2)n1 ZINC000788084686 1023850406 /nfs/dbraw/zinc/85/04/06/1023850406.db2.gz GLIPNRDCVYGDDH-SNVBAGLBSA-N -1 0 305.790 3.805 20 30 DHEDRM CCCC(=CC(=O)[N-]S(=O)(=O)c1ccccc1F)CCC ZINC000092693757 1023963464 /nfs/dbraw/zinc/96/34/64/1023963464.db2.gz DLHWMSGQRKICQL-UHFFFAOYSA-N -1 0 313.394 3.998 20 30 DHEDRM Cc1ccc2nc(/C=C\C(=O)c3cc(F)cc(F)c3[O-])cn2c1 ZINC000789145090 1024005036 /nfs/dbraw/zinc/00/50/36/1024005036.db2.gz YSVMRZNIHUZERL-ARJAWSKDSA-N -1 0 314.291 3.523 20 30 DHEDRM C[C@@H](CC#N)Sc1ccccc1[N-]C(=S)NC1(C)CC1 ZINC000789232193 1024032724 /nfs/dbraw/zinc/03/27/24/1024032724.db2.gz LMNKLRURSYTVEC-NSHDSACASA-N -1 0 305.472 3.920 20 30 DHEDRM C[C@@H](C#N)CSc1ccccc1[N-]C(=S)NC1(C)CC1 ZINC000789235286 1024035793 /nfs/dbraw/zinc/03/57/93/1024035793.db2.gz WUUDDDFYSUZWIW-NSHDSACASA-N -1 0 305.472 3.777 20 30 DHEDRM N#CC(=C([O-])c1nc(Cl)cs1)c1nc2ccccc2s1 ZINC000789401094 1024074558 /nfs/dbraw/zinc/07/45/58/1024074558.db2.gz YAMAOIUCZCJLLS-SSDOTTSWSA-N -1 0 319.798 3.896 20 30 DHEDRM COc1cccc(Cl)c1C/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000790098394 1024223491 /nfs/dbraw/zinc/22/34/91/1024223491.db2.gz HLBVMLROAJPBTK-CAOOACKPSA-N -1 0 320.732 3.582 20 30 DHEDRM COc1ccc([C@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1F ZINC000026805160 1024247869 /nfs/dbraw/zinc/24/78/69/1024247869.db2.gz PFRSKHKIMLDVBF-NTOSSWPYSA-N -1 0 318.304 3.628 20 30 DHEDRM C[C@@H]1C/C(=C/c2cccc(OCC(=O)[O-])c2)C(=O)c2ccccc21 ZINC000131139110 1024263362 /nfs/dbraw/zinc/26/33/62/1024263362.db2.gz JQYXXPOFSNWKHY-NWFCWYBLSA-N -1 0 322.360 3.924 20 30 DHEDRM CCc1cccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)n1 ZINC000453563451 1024531405 /nfs/dbraw/zinc/53/14/05/1024531405.db2.gz DFTUXGIXPNXTNV-LBPRGKRZSA-N -1 0 319.286 3.548 20 30 DHEDRM N#CC(=C([O-])c1ccnn1C1CCCC1)c1nc2ccccc2o1 ZINC000532230267 1024582167 /nfs/dbraw/zinc/58/21/67/1024582167.db2.gz RXYFFLODVVVMTG-ZDUSSCGKSA-N -1 0 320.352 3.629 20 30 DHEDRM CCc1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)n1 ZINC000453773709 1024584935 /nfs/dbraw/zinc/58/49/35/1024584935.db2.gz ASMWRUHEXZUJPJ-GFCCVEGCSA-N -1 0 313.426 3.888 20 30 DHEDRM N#CC(=C(O)C=C(C1CC1)C1CC1)c1cnc2ccccc2n1 ZINC000792113412 1024627144 /nfs/dbraw/zinc/62/71/44/1024627144.db2.gz HNPHVDSEQXPDJN-HNNXBMFYSA-N -1 0 303.365 3.552 20 30 DHEDRM CCC(CC)S(=O)(=O)[N-]C(=O)CCc1cc(Cl)cs1 ZINC000077878775 1024630197 /nfs/dbraw/zinc/63/01/97/1024630197.db2.gz XESGTUCLOBZECV-UHFFFAOYSA-N -1 0 323.867 3.809 20 30 DHEDRM O=C([O-])c1ccc(C(=O)/C=C\c2cccc(OC(F)F)c2)s1 ZINC000747064443 1024659702 /nfs/dbraw/zinc/65/97/02/1024659702.db2.gz WFFDLMGXVKDAND-PLNGDYQASA-N -1 0 324.304 3.944 20 30 DHEDRM [O-]c1c(Cl)cc(Cl)cc1C=Nc1nc2cc[nH]cc-2n1 ZINC000760230452 1024774283 /nfs/dbraw/zinc/77/42/83/1024774283.db2.gz YDDOWJIOAFIPIY-UHFFFAOYSA-N -1 0 307.140 3.721 20 30 DHEDRM CC[C@H](NN=C1CCCc2c(Cl)sc(Cl)c21)C(=O)[O-] ZINC000793072060 1024878763 /nfs/dbraw/zinc/87/87/63/1024878763.db2.gz LNNHELCABQFFCQ-ZETCQYMHSA-N -1 0 321.229 3.548 20 30 DHEDRM CC[C@@H](NN=Cc1c2ccccc2cc2ccccc21)C(=O)[O-] ZINC000793078396 1024879360 /nfs/dbraw/zinc/87/93/60/1024879360.db2.gz LOXHWBWGZPBLAQ-GOSISDBHSA-N -1 0 306.365 3.780 20 30 DHEDRM COC(=O)c1ccc(Nc2c(Cl)ccc([O-])c2F)c(C#N)c1 ZINC001214565066 1024917773 /nfs/dbraw/zinc/91/77/73/1024917773.db2.gz VZABBKUIOPELBW-UHFFFAOYSA-N -1 0 320.707 3.587 20 30 DHEDRM N#CC(=C([O-])C=Cc1ccco1)c1nc(-c2ccncc2)cs1 ZINC000128839550 1025047672 /nfs/dbraw/zinc/04/76/72/1025047672.db2.gz WXRMCNMLHJENTE-RDFMZFSFSA-N -1 0 321.361 3.688 20 30 DHEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N/CCc1cscn1 ZINC000134847044 1025136342 /nfs/dbraw/zinc/13/63/42/1025136342.db2.gz WFKAXBGSXXVRNW-PJQLUOCWSA-N -1 0 301.198 3.817 20 30 DHEDRM O=C(/C=C\c1cccc(-n2cccn2)c1)c1ccc([O-])c(F)c1 ZINC000760262658 1025280438 /nfs/dbraw/zinc/28/04/38/1025280438.db2.gz CUOXRCWJYBJVGS-ALCCZGGFSA-N -1 0 308.312 3.613 20 30 DHEDRM Cc1cc(C#N)ccc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000805260244 1025569190 /nfs/dbraw/zinc/56/91/90/1025569190.db2.gz PETWOFFEESNHGJ-UHFFFAOYSA-N -1 0 304.708 3.617 20 30 DHEDRM COc1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc1C#N ZINC001211964977 1025873486 /nfs/dbraw/zinc/87/34/86/1025873486.db2.gz IBHJCRHNIMSZHC-UHFFFAOYSA-N -1 0 302.717 3.662 20 30 DHEDRM O=C([O-])[C@@H]1C/C(=C/c2c(F)cccc2F)C(=O)c2ccccc21 ZINC000806559772 1025920906 /nfs/dbraw/zinc/92/09/06/1025920906.db2.gz FPYAMBPXSFSDBT-ASCRHOAZSA-N -1 0 314.287 3.803 20 30 DHEDRM O=C([O-])[C@@H]1C/C(=C\c2nc(Cl)cs2)C(=O)c2ccccc21 ZINC000806559991 1025922408 /nfs/dbraw/zinc/92/24/08/1025922408.db2.gz HNSRLLMFGARTQV-LXSSAFMLSA-N -1 0 319.769 3.635 20 30 DHEDRM O=C(/C=C\c1cccc(-n2cccn2)c1)c1ccc(F)cc1[O-] ZINC000760266623 1025960981 /nfs/dbraw/zinc/96/09/81/1025960981.db2.gz XDJYBEVNVSPYGJ-YVMONPNESA-N -1 0 308.312 3.613 20 30 DHEDRM C=C(C)C[C@@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807838171 1026132226 /nfs/dbraw/zinc/13/22/26/1026132226.db2.gz KDMHGSKEKOGCGF-SECBINFHSA-N -1 0 302.201 3.918 20 30 DHEDRM CCSCC(=NNc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000807944312 1026155676 /nfs/dbraw/zinc/15/56/76/1026155676.db2.gz WMYURAUNQYZUDP-UHFFFAOYSA-N -1 0 314.410 3.954 20 30 DHEDRM O=C1c2ccc(F)cc2CC/C1=C/c1ccc([O-])c([N+](=O)[O-])c1 ZINC000747441121 1026155796 /nfs/dbraw/zinc/15/57/96/1026155796.db2.gz YRBCRXROKRHLSW-GHXNOFRVSA-N -1 0 313.284 3.652 20 30 DHEDRM O=C1c2cc(Cl)ccc2O/C1=C/c1ccc([N+](=O)[O-])c([O-])c1 ZINC000729150548 1026384367 /nfs/dbraw/zinc/38/43/67/1026384367.db2.gz JFXWEBXYTKDXAX-MKMNVTDBSA-N -1 0 317.684 3.570 20 30 DHEDRM C[C@H](Oc1ccc(/C=C2\C(=O)c3ccccc3[C@H]2C)cc1)C(=O)[O-] ZINC000809159595 1026472051 /nfs/dbraw/zinc/47/20/51/1026472051.db2.gz SEIGXGYKJPYNPN-NLKYIXICSA-N -1 0 322.360 3.922 20 30 DHEDRM COc1ccc([C@@H](C)C(C)N=Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000747623460 1026820741 /nfs/dbraw/zinc/82/07/41/1026820741.db2.gz CWSVDTICRFVUSX-LBPRGKRZSA-N -1 0 312.369 3.985 20 30 DHEDRM COc1ccc([C@H](C)C(C)N=Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000747623458 1026825613 /nfs/dbraw/zinc/82/56/13/1026825613.db2.gz CWSVDTICRFVUSX-GFCCVEGCSA-N -1 0 312.369 3.985 20 30 DHEDRM O=C([O-])c1ccc(NN=Cc2cccc(-c3ccccn3)c2)cc1 ZINC000747736899 1027061661 /nfs/dbraw/zinc/06/16/61/1027061661.db2.gz SFGCYYAPNZQLAN-UHFFFAOYSA-N -1 0 317.348 3.893 20 30 DHEDRM N#Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(C(=O)[O-])cc1Cl)C2 ZINC000811695296 1027068981 /nfs/dbraw/zinc/06/89/81/1027068981.db2.gz CFVBICPUAPYHNQ-AUWJEWJLSA-N -1 0 323.735 3.732 20 30 DHEDRM C=CC[C@@H](CC)NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805438985 1027185432 /nfs/dbraw/zinc/18/54/32/1027185432.db2.gz GROXCBCRNCTKJR-LLVKDONJSA-N -1 0 317.216 3.853 20 30 DHEDRM O=C([O-])c1ccccc1[N-][NH+]=Cc1ccc(N2CCCCC2)cc1 ZINC000812444819 1027284738 /nfs/dbraw/zinc/28/47/38/1027284738.db2.gz NHORYDQOAOYYAD-UHFFFAOYSA-N -1 0 323.396 3.821 20 30 DHEDRM O=C([N-]S(=O)(=O)c1ccccc1)c1ccc2ccccc2c1 ZINC000046708541 1027434910 /nfs/dbraw/zinc/43/49/10/1027434910.db2.gz KCAFLAOAVPLQAX-UHFFFAOYSA-N -1 0 311.362 3.533 20 30 DHEDRM Cn1nccc1-c1ccccc1/C=C\C(=O)c1cc(F)ccc1[O-] ZINC000814189801 1027944073 /nfs/dbraw/zinc/94/40/73/1027944073.db2.gz JNTPRGPFBSOBEO-VURMDHGXSA-N -1 0 322.339 3.828 20 30 DHEDRM C=CCCC[C@@H](C)NC(=O)N(CC(=O)[O-])[C@@H](C)c1ccccc1 ZINC000578011723 1028019054 /nfs/dbraw/zinc/01/90/54/1028019054.db2.gz QPCASIYUCIPDRA-CABCVRRESA-N -1 0 318.417 3.589 20 30 DHEDRM Cc1ccc(CCCC(=O)[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000048406099 1028049034 /nfs/dbraw/zinc/04/90/34/1028049034.db2.gz RMUZBXULNVFUCM-UHFFFAOYSA-N -1 0 317.410 3.663 20 30 DHEDRM CCCCS(=O)(=O)[N-]C(=O)c1sccc1-c1ccccc1 ZINC000048552162 1028139221 /nfs/dbraw/zinc/13/92/21/1028139221.db2.gz OKTTYKIVKPARJJ-UHFFFAOYSA-N -1 0 323.439 3.850 20 30 DHEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)C=C(C)C2CC2)cc1 ZINC000048563574 1028145424 /nfs/dbraw/zinc/14/54/24/1028145424.db2.gz ZMONFZWCIPIUPN-QXMHVHEDSA-N -1 0 307.415 3.641 20 30 DHEDRM C[C@H]1C(N=Nc2ccc([N+](=O)[O-])cc2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814683114 1028150220 /nfs/dbraw/zinc/15/02/20/1028150220.db2.gz WWNDWVSTKRQYMZ-GWCFXTLKSA-N -1 0 319.361 3.520 20 30 DHEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)N=Nc1ccccc1 ZINC000814684500 1028154630 /nfs/dbraw/zinc/15/46/30/1028154630.db2.gz WFHHUADUBVDRMO-UHFFFAOYSA-N -1 0 312.369 3.571 20 30 DHEDRM CC(=NNc1ccc(F)cc1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814693513 1028170864 /nfs/dbraw/zinc/17/08/64/1028170864.db2.gz UZLJUWGSFVOGIA-LBPRGKRZSA-N -1 0 316.332 3.514 20 30 DHEDRM CC(=[NH+][N-]c1ccc(Cl)c(C(=O)[O-])c1)c1cc(N)ccc1F ZINC000814689815 1028171397 /nfs/dbraw/zinc/17/13/97/1028171397.db2.gz HHIAODPKJZBXOS-UHFFFAOYSA-N -1 0 321.739 3.596 20 30 DHEDRM C[C@H]1C(N=Nc2cccc([N+](=O)[O-])c2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814694588 1028171500 /nfs/dbraw/zinc/17/15/00/1028171500.db2.gz QRHCBRWNCMCPDX-GWCFXTLKSA-N -1 0 319.361 3.520 20 30 DHEDRM CC(CCCCCCC(=O)[O-])=NNC(=S)Nc1ccccc1 ZINC000814713908 1028180830 /nfs/dbraw/zinc/18/08/30/1028180830.db2.gz JRLNHKWFLNAYQM-UHFFFAOYSA-N -1 0 321.446 3.774 20 30 DHEDRM COCC(=NNc1ccccc1C(=O)[O-])c1cccc(Cl)c1 ZINC000814768632 1028198808 /nfs/dbraw/zinc/19/88/08/1028198808.db2.gz GGBURHXXRVPVPG-UHFFFAOYSA-N -1 0 318.760 3.501 20 30 DHEDRM O=C([O-])C1(c2ccccc2)CC(N=Nc2cc(F)cc(F)c2)C1 ZINC000814813735 1028220529 /nfs/dbraw/zinc/22/05/29/1028220529.db2.gz XBSGPJVOTXGJKS-UHFFFAOYSA-N -1 0 316.307 3.549 20 30 DHEDRM C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1nccc2sccc21 ZINC000814809343 1028234385 /nfs/dbraw/zinc/23/43/85/1028234385.db2.gz XYHMSEFICMMLFF-NXEZZACHSA-N -1 0 303.387 3.585 20 30 DHEDRM CC(N=Nc1ccc(Cl)nc1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814859642 1028247942 /nfs/dbraw/zinc/24/79/42/1028247942.db2.gz YNHWMWXQJSNJEG-PWSUYJOCSA-N -1 0 309.797 3.660 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1N=NC1CS[C@H](C(C)(C)C)C1 ZINC000814886462 1028263042 /nfs/dbraw/zinc/26/30/42/1028263042.db2.gz CMVBGXJYMFRIST-AWEZNQCLSA-N -1 0 322.430 3.713 20 30 DHEDRM Cc1cc2ccccc2nc1N=NC1CC[C@H](C(=O)[O-])C[C@H]1C ZINC000814896399 1028264557 /nfs/dbraw/zinc/26/45/57/1028264557.db2.gz WNMZADBLLNVPDJ-RISCZKNCSA-N -1 0 311.385 3.832 20 30 DHEDRM CC(C)[C@H](Cc1ccccc1)NN=C1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000814906573 1028273699 /nfs/dbraw/zinc/27/36/99/1028273699.db2.gz AIRMJFSAALRVDW-WBAXXEDZSA-N -1 0 316.445 3.720 20 30 DHEDRM CC(C)c1c(Cl)ncnc1N=NC1CC[C@H](C(=O)[O-])C[C@@H]1C ZINC000814922246 1028280343 /nfs/dbraw/zinc/28/03/43/1028280343.db2.gz AOFDXESBPQHXDW-UWVGGRQHSA-N -1 0 324.812 3.542 20 30 DHEDRM CC(=NOC/C=C\Cl)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814933850 1028292041 /nfs/dbraw/zinc/29/20/41/1028292041.db2.gz CHVTVEQHMAKYKD-OSQAXMNCSA-N -1 0 321.760 3.861 20 30 DHEDRM CC[C@@H](C)CON=C(C)CCc1ccc(OCC(=O)[O-])cc1 ZINC000814938968 1028295351 /nfs/dbraw/zinc/29/53/51/1028295351.db2.gz ZMWCRFSTMYHICP-CYBMUJFWSA-N -1 0 307.390 3.521 20 30 DHEDRM COc1cc(F)ccc1N=NC(C)[C@H](C)CCCCC(=O)[O-] ZINC000814915892 1028296726 /nfs/dbraw/zinc/29/67/26/1028296726.db2.gz LEJWMHALJMXUAG-LLVKDONJSA-N -1 0 310.369 3.903 20 30 DHEDRM COc1cc(N=NC2CC[C@@H](CC(=O)[O-])[C@@H]2C)ccc1Cl ZINC000814918865 1028299447 /nfs/dbraw/zinc/29/94/47/1028299447.db2.gz CBSGPFAMIUCZJN-UWVGGRQHSA-N -1 0 310.781 3.637 20 30 DHEDRM Cc1nc(CC(C)C)oc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000190776632 1028470896 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CC(C)=C[C@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2C)C1(C)C ZINC000042242349 1028939486 /nfs/dbraw/zinc/93/94/86/1028939486.db2.gz RMJZLNPMKZYCLX-ZFWWWQNUSA-N -1 0 321.442 3.879 20 30 DHEDRM O=C(CCC1CCCCC1)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000042251197 1028942725 /nfs/dbraw/zinc/94/27/25/1028942725.db2.gz PPSRYJAUDPGYPF-UHFFFAOYSA-N -1 0 313.394 3.831 20 30 DHEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)cc1C ZINC000077881580 1029151552 /nfs/dbraw/zinc/15/15/52/1029151552.db2.gz VXEIHTWEFKETDX-AWEZNQCLSA-N -1 0 317.410 3.699 20 30 DHEDRM C=CCCCCCNC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000569001077 1029160735 /nfs/dbraw/zinc/16/07/35/1029160735.db2.gz STHUTDMDSRHIQV-CYBMUJFWSA-N -1 0 321.442 3.728 20 30 DHEDRM C=C[C@@H]1OCC[C@H]1C/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000818992765 1029450543 /nfs/dbraw/zinc/45/05/43/1029450543.db2.gz TYVNAIIDOHGJIM-SHODIVGHSA-N -1 0 300.185 3.709 20 30 DHEDRM C[C@H]1CC(N=Nc2cc(Cl)nc(Cl)c2)CC[C@@H]1C(=O)[O-] ZINC000819828549 1029618584 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310.781 3.505 20 30 DHEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)cc1Cl ZINC000537269023 1031551673 /nfs/dbraw/zinc/55/16/73/1031551673.db2.gz SXOJFWMNFSTHFU-UHFFFAOYSA-N -1 0 320.801 3.629 20 30 DHEDRM O=C([O-])c1cc(N=NC(C2CCC2)[C@H]2CCCO2)ccc1Cl ZINC000872326321 1031586492 /nfs/dbraw/zinc/58/64/92/1031586492.db2.gz ZJUHUDNILTVZBP-CQSZACIVSA-N -1 0 322.792 3.785 20 30 DHEDRM CC(CCCCCCC(=O)[O-])=NNC[C@@H]1CCCC1(F)F ZINC000872407579 1031601434 /nfs/dbraw/zinc/60/14/34/1031601434.db2.gz XBNLDDGITHLBDS-ZDUSSCGKSA-N -1 0 304.381 3.813 20 30 DHEDRM CCC(CC)[C@@H]1C[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC000777873862 1031691532 /nfs/dbraw/zinc/69/15/32/1031691532.db2.gz VKBHGMANHLAXQB-NQFIGZSESA-N -1 0 320.389 3.703 20 30 DHEDRM Cc1csc(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)c1 ZINC000845845197 1031728583 /nfs/dbraw/zinc/72/85/83/1031728583.db2.gz WQSMHAWRSOITMT-CQSZACIVSA-N -1 0 309.390 3.680 20 30 DHEDRM Cc1cc(C(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)co1 ZINC000845834325 1031735294 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O=C([O-])c1ccc(/C=C\C(=O)c2cnn(C3CCCC3)c2)s1 ZINC000865225051 1034554150 /nfs/dbraw/zinc/55/41/50/1034554150.db2.gz XLVOUPSVIHXRAF-ALCCZGGFSA-N -1 0 316.382 3.654 20 30 DHEDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1ccnn1C1CCC1 ZINC000899396478 1034631229 /nfs/dbraw/zinc/63/12/29/1034631229.db2.gz CBTRZLXIFNUCRV-VOTSOKGWSA-N -1 0 324.380 3.819 20 30 DHEDRM CC(C)=C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2)C1(C)C ZINC000042232398 1034692537 /nfs/dbraw/zinc/69/25/37/1034692537.db2.gz GOGBQWCFQOGPPC-KGLIPLIRSA-N -1 0 307.415 3.570 20 30 DHEDRM O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)C1CCCC1 ZINC000042233038 1034701051 /nfs/dbraw/zinc/70/10/51/1034701051.db2.gz IBFXZACSJLFVLS-UHFFFAOYSA-N -1 0 303.383 3.675 20 30 DHEDRM C=C[C@@](C)(CCOC)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000188673292 1034745534 /nfs/dbraw/zinc/74/55/34/1034745534.db2.gz PXMHOECWLXUKGW-AWEZNQCLSA-N -1 0 318.200 3.866 20 30 DHEDRM Cc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)c2ncccc12 ZINC001174985994 1034746366 /nfs/dbraw/zinc/74/63/66/1034746366.db2.gz 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ZINC001573329219 958506010 /nfs/dbraw/zinc/50/60/10/958506010.db2.gz ARGBXVMNINQXEZ-HOCLYGCPSA-N -1 0 317.429 3.742 20 30 DHEDRM C=C[C@H](CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1ccccc1 ZINC001573329217 958506576 /nfs/dbraw/zinc/50/65/76/958506576.db2.gz ARGBXVMNINQXEZ-GDBMZVCRSA-N -1 0 317.429 3.742 20 30 DHEDRM O=C([O-])c1cccc(/C=C2/CCOc3ccc(F)cc3C2=O)c1 ZINC000158301636 959086979 /nfs/dbraw/zinc/08/69/79/959086979.db2.gz JLLXHIAOKTUIOA-WQLSENKSSA-N -1 0 312.296 3.573 20 30 DHEDRM CCn1c(C)cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c1C ZINC000728225384 1013187502 /nfs/dbraw/zinc/18/75/02/1013187502.db2.gz PRQJSQGJDRAKGC-UHFFFAOYSA-N -1 0 319.792 3.922 20 30 DHEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001573353087 962996563 /nfs/dbraw/zinc/99/65/63/962996563.db2.gz OWALNHSLEOQBFM-WFASDCNBSA-N -1 0 302.374 3.641 20 30 DHEDRM C=CCCCCNC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001573366365 963059713 /nfs/dbraw/zinc/05/97/13/963059713.db2.gz LRMKVBYHBUGMCL-UHFFFAOYSA-N -1 0 320.389 3.650 20 30 DHEDRM C#CCCCCCC(=O)Nc1c(C)cc(Cl)cc1C(=O)[O-] ZINC001588440562 964041112 /nfs/dbraw/zinc/04/11/12/964041112.db2.gz ACYROBXAAFOZMI-UHFFFAOYSA-N -1 0 307.777 3.869 20 30 DHEDRM C=CC[C@@H]1N(C(=O)c2c([O-])cc(F)cc2F)CCCC1(C)C ZINC000683517983 1013585285 /nfs/dbraw/zinc/58/52/85/1013585285.db2.gz ZLALMGNXLROLKE-AWEZNQCLSA-N -1 0 309.356 3.877 20 30 DHEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)c1C#N ZINC000441347859 1013723365 /nfs/dbraw/zinc/72/33/65/1013723365.db2.gz BDJBPZAAEMHZIZ-UHFFFAOYSA-N -1 0 320.801 3.629 20 30 DHEDRM O=[N+]([O-])c1cc(Cl)cc(C=Nc2ccc3n[nH]cc3c2)c1[O-] ZINC000255115616 1013737164 /nfs/dbraw/zinc/73/71/64/1013737164.db2.gz ZBTRLGAFOHLCOT-UHFFFAOYSA-N -1 0 316.704 3.581 20 30 DHEDRM Cc1cc(C#N)cc(Cl)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210400345 1013834151 /nfs/dbraw/zinc/83/41/51/1013834151.db2.gz GJVBBVRYNLOSTI-UHFFFAOYSA-N -1 0 303.705 3.878 20 30 DHEDRM C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2Cl)C1 ZINC000076765043 1013854154 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COc1cc(C(=O)[O-])ccc1N=NC(C)CCCC(F)(F)F ZINC000774394198 978747046 /nfs/dbraw/zinc/74/70/46/978747046.db2.gz MDWHNFQEJWBBDA-UHFFFAOYSA-N -1 0 318.295 3.914 20 30 DHEDRM C[C@H]1c2ccccc2C(=O)/C1=C\c1ccc(OCC(=O)[O-])cc1 ZINC000809159672 978854418 /nfs/dbraw/zinc/85/44/18/978854418.db2.gz UIBHYDMTNOYYBZ-NJPLLEPOSA-N -1 0 308.333 3.533 20 30 DHEDRM O=C([O-])c1ccc(N=NC2CC[C@@H](Cc3ccccc3)C2)nc1 ZINC000814890123 978896616 /nfs/dbraw/zinc/89/66/16/978896616.db2.gz ILFCCBXCDCQHFY-AWEZNQCLSA-N -1 0 309.369 3.591 20 30 DHEDRM CC(C)c1c(Cl)ncnc1N=NC1CC[C@H](CC(=O)[O-])[C@H]1C ZINC000814922046 978898726 /nfs/dbraw/zinc/89/87/26/978898726.db2.gz RFQGNMJBYQRKOQ-NXEZZACHSA-N -1 0 324.812 3.542 20 30 DHEDRM C#CCOc1ccccc1CNc1ccc(NC(=O)[O-])c(F)c1 ZINC000833367180 979171387 /nfs/dbraw/zinc/17/13/87/979171387.db2.gz RPCWGBXXADJDPK-UHFFFAOYSA-N -1 0 314.316 3.540 20 30 DHEDRM CC(C)(C)[C@H]1CC(N=Nc2ccc(CC(=O)[O-])cc2)CS1 ZINC000848415090 979468209 /nfs/dbraw/zinc/46/82/09/979468209.db2.gz 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ZINC000843567395 1014748729 /nfs/dbraw/zinc/74/87/29/1014748729.db2.gz BOIVUZOFAYAAQG-LBPRGKRZSA-N -1 0 321.154 3.894 20 30 DHEDRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc(C#N)c(O)c1 ZINC000442859882 1014749701 /nfs/dbraw/zinc/74/97/01/1014749701.db2.gz XUDBMWPPUNLSHL-OAHLLOKOSA-N -1 0 324.380 3.609 20 30 DHEDRM CCN(C(=O)c1ccc(C#N)c([O-])c1)c1cccc(Cl)c1 ZINC000442857747 1014757876 /nfs/dbraw/zinc/75/78/76/1014757876.db2.gz NQDNLKAGHNQEGP-UHFFFAOYSA-N -1 0 300.745 3.584 20 30 DHEDRM CCCCCCCC(=O)N(C)[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC001595702378 982264217 /nfs/dbraw/zinc/26/42/17/982264217.db2.gz IEDGEGSBQUMXNW-KRWDZBQOSA-N -1 0 321.417 3.640 20 30 DHEDRM CCCCCCCC[C@@H](C)C(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC001595704555 982277059 /nfs/dbraw/zinc/27/70/59/982277059.db2.gz AEXUFBQRXFXHCQ-CHWSQXEVSA-N -1 0 319.392 3.694 20 30 DHEDRM CCCCCCCCCNC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001595705356 982284458 /nfs/dbraw/zinc/28/44/58/982284458.db2.gz XVNTZXCGFDUNQI-QXSJWSMHSA-N -1 0 324.465 3.536 20 30 DHEDRM C#CC1(NC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CCCC1 ZINC001588379891 983366310 /nfs/dbraw/zinc/36/63/10/983366310.db2.gz VAVMVNXCWDEZBJ-UHFFFAOYSA-N -1 0 322.364 3.606 20 30 DHEDRM C#CCC1(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)CCCCC1 ZINC001588427754 983458021 /nfs/dbraw/zinc/45/80/21/983458021.db2.gz KVJMLFGNHQOJJA-UHFFFAOYSA-N -1 0 314.385 3.541 20 30 DHEDRM C=C(C)C[C@H](NC(=O)c1cccc(Nc2ccccc2)c1)C(=O)[O-] ZINC001588548208 983623505 /nfs/dbraw/zinc/62/35/05/983623505.db2.gz NWWDSSCTNGCOSV-KRWDZBQOSA-N -1 0 324.380 3.579 20 30 DHEDRM CCN(C[C@H](C)C#N)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001596231011 983625338 /nfs/dbraw/zinc/62/53/38/983625338.db2.gz FYGJMYKVXSNKSF-NOZJJQNGSA-N -1 0 315.200 3.601 20 30 DHEDRM C=C(CNC(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccccc1 ZINC001588636960 983757647 /nfs/dbraw/zinc/75/76/47/983757647.db2.gz ANZAWIUDXMEXGZ-UHFFFAOYSA-N -1 0 324.380 3.539 20 30 DHEDRM C=C(Cl)CN(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001588641894 983763571 /nfs/dbraw/zinc/76/35/71/983763571.db2.gz LJCOWMBDNSOCFY-LLVKDONJSA-N -1 0 308.592 3.803 20 30 DHEDRM C=C1CCC(CNC(=O)Nc2cc(C(=O)[O-])sc2C)CC1 ZINC001588650007 983771710 /nfs/dbraw/zinc/77/17/10/983771710.db2.gz RUQZOVVSEQUNKH-UHFFFAOYSA-N -1 0 308.403 3.623 20 30 DHEDRM C=C[C@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1C)c1ccccc1 ZINC001588664442 983799961 /nfs/dbraw/zinc/79/99/61/983799961.db2.gz QAFWHBXQVYFRSR-ZDUSSCGKSA-N -1 0 313.328 3.741 20 30 DHEDRM C=C[C@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1 ZINC001588664814 983804318 /nfs/dbraw/zinc/80/43/18/983804318.db2.gz WICZVTRLEPOOHS-HNNXBMFYSA-N -1 0 315.756 3.947 20 30 DHEDRM C=CC(C)(C)CC(=O)N1CCCc2c(C(=O)[O-])ccc(C)c21 ZINC001588673354 983829483 /nfs/dbraw/zinc/82/94/83/983829483.db2.gz RNFKIJCVLSCGLS-UHFFFAOYSA-N -1 0 301.386 3.575 20 30 DHEDRM C=C[C@H](CC)CC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001588690492 983874298 /nfs/dbraw/zinc/87/42/98/983874298.db2.gz AOYIJRYBUUSUHP-CZUORRHYSA-N -1 0 315.413 3.523 20 30 DHEDRM CCc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)C(CC)CC)cc1 ZINC000073837534 1014985617 /nfs/dbraw/zinc/98/56/17/1014985617.db2.gz GGOPXDIFTFYSLJ-GFCCVEGCSA-N -1 0 311.447 3.827 20 30 DHEDRM C=C[C@H](Nc1ccc(Oc2ccccc2OC)c(F)c1)C(=O)[O-] ZINC001588702378 983920457 /nfs/dbraw/zinc/92/04/57/983920457.db2.gz RHKMEXCKQQPCBS-ZDUSSCGKSA-N -1 0 317.316 3.678 20 30 DHEDRM C=CC1(CC(=O)N(C)c2ccccc2C(=O)[O-])CCCCC1 ZINC001588715033 983954554 /nfs/dbraw/zinc/95/45/54/983954554.db2.gz RZYQTEGAFCAFEL-UHFFFAOYSA-N -1 0 301.386 3.874 20 30 DHEDRM C=CC1(CC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)CCCCC1 ZINC001588719719 983962647 /nfs/dbraw/zinc/96/26/47/983962647.db2.gz XFQAJAUNYPTERD-HNNXBMFYSA-N -1 0 307.434 3.663 20 30 DHEDRM C=CC[C@@H](C(=O)O[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC001588731905 984012800 /nfs/dbraw/zinc/01/28/00/984012800.db2.gz QBFUFHKSRFIUTN-QZTJIDSGSA-N -1 0 324.376 3.585 20 30 DHEDRM C=CCC1(C(=O)Nc2cc(C)c(C(=O)[O-])cn2)CCCCC1 ZINC001588764552 984122243 /nfs/dbraw/zinc/12/22/43/984122243.db2.gz FCKVCAJVKCLFPQ-UHFFFAOYSA-N -1 0 302.374 3.553 20 30 DHEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001588771242 984138487 /nfs/dbraw/zinc/13/84/87/984138487.db2.gz QXQRDVKKXDYVMI-MNOVXSKESA-N -1 0 308.403 3.703 20 30 DHEDRM C=CCCCC(=O)O[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001588782758 984174651 /nfs/dbraw/zinc/17/46/51/984174651.db2.gz MHRWUUFCAVAVFB-ZDUSSCGKSA-N -1 0 316.275 3.731 20 30 DHEDRM C=CCCC[C@@H](C)NC(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001588783001 984176164 /nfs/dbraw/zinc/17/61/64/984176164.db2.gz SQVWQYNUICYFBK-GDBMZVCRSA-N -1 0 318.417 3.555 20 30 DHEDRM C=CCCC[C@@H](NC(=O)[C@H](CC)CC1CCCCC1)C(=O)[O-] ZINC001588785564 984181392 /nfs/dbraw/zinc/18/13/92/984181392.db2.gz IUOPKUFVWAMNLR-HZPDHXFCSA-N -1 0 309.450 3.909 20 30 DHEDRM C=CCCC[C@@H](NC(=O)/C=C(\CC)c1ccc(C)cc1)C(=O)[O-] ZINC001588789641 984199865 /nfs/dbraw/zinc/19/98/65/984199865.db2.gz GZSIUHSAWGTBPE-LCJXNMAOSA-N -1 0 315.413 3.714 20 30 DHEDRM C=CCCC[C@H](NC(=O)c1csc2cc(C)ccc12)C(=O)[O-] ZINC001588798142 984233621 /nfs/dbraw/zinc/23/36/21/984233621.db2.gz VHBBADYSMGOSGQ-AWEZNQCLSA-N -1 0 317.410 3.749 20 30 DHEDRM C=CCCN(Cc1ccc(C(=O)[O-])s1)OCc1ccccc1 ZINC001588807823 984261787 /nfs/dbraw/zinc/26/17/87/984261787.db2.gz ZQSMFDUXVVSODP-UHFFFAOYSA-N -1 0 317.410 3.956 20 30 DHEDRM C=CCCc1ccccc1NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001588814856 984273886 /nfs/dbraw/zinc/27/38/86/984273886.db2.gz VAWZGQVIMTWJMK-UHFFFAOYSA-N -1 0 313.397 3.779 20 30 DHEDRM C=CCN(C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C)C(C)C ZINC001588820556 984284808 /nfs/dbraw/zinc/28/48/08/984284808.db2.gz KTMWTCCAJKFUNY-UHFFFAOYSA-N -1 0 320.389 3.600 20 30 DHEDRM C=CCN(Cc1cccs1)Cc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001588831903 984318707 /nfs/dbraw/zinc/31/87/07/984318707.db2.gz WUFJJIHCYKKWEY-UHFFFAOYSA-N -1 0 316.426 3.840 20 30 DHEDRM C=CCN(Cc1ccc(Cl)s1)Cc1cccc(C(=O)[O-])n1 ZINC001588832834 984326511 /nfs/dbraw/zinc/32/65/11/984326511.db2.gz SKVUGLRWGYFWFO-UHFFFAOYSA-N -1 0 322.817 3.683 20 30 DHEDRM C[C@H](NCc1cccc(C(=O)[O-])c1C#N)c1ccc(Cl)cc1 ZINC001599901238 984832944 /nfs/dbraw/zinc/83/29/44/984832944.db2.gz BMMOKRNFBJEUNR-NSHDSACASA-N -1 0 314.772 3.761 20 30 DHEDRM Cc1[nH]c2ccccc2c1CN=Nc1cccc(F)c1C(=O)[O-] ZINC001599965143 985888094 /nfs/dbraw/zinc/88/80/94/985888094.db2.gz CIPSGQRRSVLPIQ-UHFFFAOYSA-N -1 0 311.316 3.760 20 30 DHEDRM CCOCc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000255356665 1015189922 /nfs/dbraw/zinc/18/99/22/1015189922.db2.gz SKMFHCAVUMVVOK-UHFFFAOYSA-N -1 0 300.314 3.588 20 30 DHEDRM O=C(/C=C\c1cccnc1)c1cc(Br)cc(F)c1[O-] ZINC000588425521 1015232365 /nfs/dbraw/zinc/23/23/65/1015232365.db2.gz GHOBKLXMZXJYOZ-ARJAWSKDSA-N -1 0 322.133 3.585 20 30 DHEDRM O=C(/C=C\c1ccc([N+](=O)[O-])cc1Cl)c1ccc(O)cc1[O-] ZINC000588425798 1015242313 /nfs/dbraw/zinc/24/23/13/1015242313.db2.gz XGSWPNGVEPFMNM-KXFIGUGUSA-N -1 0 319.700 3.556 20 30 DHEDRM CCOc1ccc(O)c(/C=N\[C@H](CC2CCCCC2)C(=O)[O-])c1 ZINC001597130859 986853343 /nfs/dbraw/zinc/85/33/43/986853343.db2.gz 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ZINC000896821231 1015759123 /nfs/dbraw/zinc/75/91/23/1015759123.db2.gz PXGICUOCMPQPJP-SFHVURJKSA-N -1 0 321.380 3.571 20 30 DHEDRM C[C@H](Nc1ccc(OCC#N)cc1)c1cc(C(=O)[O-])cs1 ZINC001593363553 995037294 /nfs/dbraw/zinc/03/72/94/995037294.db2.gz SWUSIVHOISRNMN-JTQLQIEISA-N -1 0 302.355 3.522 20 30 DHEDRM C[C@H](Nc1ccc(Oc2ccccc2)c(C#N)c1)[C@H]1C[C@@H]1C(=O)[O-] ZINC001593365690 995042471 /nfs/dbraw/zinc/04/24/71/995042471.db2.gz GOADWBFVSWOPHQ-VUCTXSBTSA-N -1 0 322.364 3.872 20 30 DHEDRM COc1ccc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)cc1O ZINC000588480273 1015956218 /nfs/dbraw/zinc/95/62/18/1015956218.db2.gz MODUYHAVWVKMCW-DJWKRKHSSA-N -1 0 304.729 3.656 20 30 DHEDRM COc1ccc(Cl)cc1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001599577094 998462226 /nfs/dbraw/zinc/46/22/26/998462226.db2.gz GYZKHJHBTXNLPD-ONEGZZNKSA-N -1 0 306.701 3.536 20 30 DHEDRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1Nc1cccc(OCCCC#N)c1 ZINC001594183789 998711203 /nfs/dbraw/zinc/71/12/03/998711203.db2.gz AFVKQPBUSTYBTI-CKEIUWERSA-N -1 0 316.401 3.670 20 30 DHEDRM CCc1nc(C)c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)o1 ZINC000346417758 1016382925 /nfs/dbraw/zinc/38/29/25/1016382925.db2.gz PQRNCPJXJRRDJV-JTQLQIEISA-N -1 0 317.414 3.790 20 30 DHEDRM CCC(C)(C)OCC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000840709523 1016468572 /nfs/dbraw/zinc/46/85/72/1016468572.db2.gz JQDMLCNXQKQTOI-CXUHLZMHSA-N -1 0 314.769 3.578 20 30 DHEDRM N#Cc1ccc(Br)cc1Nc1csc(C(=O)[O-])c1 ZINC001176438905 1035263757 /nfs/dbraw/zinc/26/37/57/1035263757.db2.gz FYLPDCZNQQITHW-UHFFFAOYSA-N -1 0 323.171 3.824 20 30 DHEDRM CN(Cc1cccc(C#N)c1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000072882001 1016948703 /nfs/dbraw/zinc/94/87/03/1016948703.db2.gz NIICCQUQXGAJLQ-UHFFFAOYSA-N -1 0 323.377 3.634 20 30 DHEDRM Cc1coc(C)c1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362133327 1032246329 /nfs/dbraw/zinc/24/63/29/1032246329.db2.gz JBXSHYWWTMMQIL-NSHDSACASA-N -1 0 308.259 3.800 20 30 DHEDRM CCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000169251817 1032278621 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CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000073087139 1017139423 /nfs/dbraw/zinc/13/94/23/1017139423.db2.gz JITWJLQNXITUGN-CQSZACIVSA-N -1 0 324.446 3.723 20 30 DHEDRM C=CCOc1cccc(/C=C\c2ncc(/C=C/C(=O)[O-])s2)c1 ZINC000255523577 1017191511 /nfs/dbraw/zinc/19/15/11/1017191511.db2.gz DPABMPLFQTYTEM-MKKAVFGOSA-N -1 0 313.378 3.976 20 30 DHEDRM COc1ccc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)c(OC)c1 ZINC000255524671 1017200614 /nfs/dbraw/zinc/20/06/14/1017200614.db2.gz CHNJYMKMYORMCB-UTCJRWHESA-N -1 0 320.291 3.584 20 30 DHEDRM Cc1ccc2c(c1)C(=O)/C(=C/c1cccc(OCC(=O)[O-])c1)CC2 ZINC000179071543 1017370171 /nfs/dbraw/zinc/37/01/71/1017370171.db2.gz NPRNXTHLGBYZRK-MHWRWJLKSA-N -1 0 322.360 3.671 20 30 DHEDRM COc1ccc(C(=O)C=Cc2c[nH]c(-c3ccccc3)n2)c([O-])c1 ZINC000255544428 1017541155 /nfs/dbraw/zinc/54/11/55/1017541155.db2.gz WHVKCDYPASUTGE-YFHOEESVSA-N -1 0 320.348 3.687 20 30 DHEDRM COc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c2cccnc12 ZINC000255568084 1018034869 /nfs/dbraw/zinc/03/48/69/1018034869.db2.gz DZLFYDOAGFWIOR-UHFFFAOYSA-N -1 0 323.308 3.608 20 30 DHEDRM CCOc1cc(Nc2cc(C#N)c(F)cc2[O-])c(F)cc1F ZINC001212532718 1018314343 /nfs/dbraw/zinc/31/43/43/1018314343.db2.gz RIESUPKBTRMIDQ-UHFFFAOYSA-N -1 0 308.259 3.823 20 30 DHEDRM Cc1ccc(CC[C@@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000741842537 1018438828 /nfs/dbraw/zinc/43/88/28/1018438828.db2.gz GSEMHRBJHMNXGF-VBYYMIJXSA-N -1 0 302.330 3.642 20 30 DHEDRM O=C(C=Cc1c(Cl)nc2ccccn12)c1sccc1[O-] ZINC000588599249 1019285472 /nfs/dbraw/zinc/28/54/72/1019285472.db2.gz UJIQFRZDSYNKOH-PLNGDYQASA-N -1 0 304.758 3.651 20 30 DHEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1cc(Cl)ccc1Cl ZINC000086056503 1019793279 /nfs/dbraw/zinc/79/32/79/1019793279.db2.gz KXZIPTFZEWSYGJ-UHFFFAOYSA-N -1 0 322.213 3.570 20 30 DHEDRM O=C([O-])c1ccccc1NN=Cc1cccc(OC(F)(F)F)c1 ZINC000727970759 1019849400 /nfs/dbraw/zinc/84/94/00/1019849400.db2.gz CBZQXDYPOPTHOY-UHFFFAOYSA-N -1 0 324.258 3.729 20 30 DHEDRM CCOc1ccccc1/C=C/C(=O)c1csc(C(=O)[O-])c1 ZINC000730149352 1019954408 /nfs/dbraw/zinc/95/44/08/1019954408.db2.gz VYHXRPQBAKUGDH-BQYQJAHWSA-N -1 0 302.351 3.741 20 30 DHEDRM CC(=NNc1cnnc([O-])c1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000730567949 1020004532 /nfs/dbraw/zinc/00/45/32/1020004532.db2.gz HRDHKXBHNQTAGI-UHFFFAOYSA-N -1 0 320.824 3.840 20 30 DHEDRM Cc1ccc2c(c1)C(=O)/C(=C\c1cccc(O[C@H](C)C(=O)[O-])c1)C2 ZINC000730948867 1020045026 /nfs/dbraw/zinc/04/50/26/1020045026.db2.gz NRRFUBHDORJLJY-WPBJZHHJSA-N -1 0 322.360 3.669 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2OCC(C)C)n1 ZINC000731409875 1020103324 /nfs/dbraw/zinc/10/33/24/1020103324.db2.gz BEZHZMGVHJWOBC-CQSZACIVSA-N -1 0 314.410 3.976 20 30 DHEDRM CC(=O)c1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647378954 1020249469 /nfs/dbraw/zinc/24/94/69/1020249469.db2.gz OWSGDIPJZXLMKV-CQSZACIVSA-N -1 0 310.378 3.713 20 30 DHEDRM CCc1ncc(C([O-])=C(C#N)c2nc(C3CC3)cs2)s1 ZINC000647377583 1020256524 /nfs/dbraw/zinc/25/65/24/1020256524.db2.gz WKTNDCYDBQIIRJ-SECBINFHSA-N -1 0 303.412 3.529 20 30 DHEDRM Cc1nc2c(cccc2C([O-])=C(C#N)c2nc(C3CC3)cs2)o1 ZINC000647379364 1020261312 /nfs/dbraw/zinc/26/13/12/1020261312.db2.gz CTOUDHMUZGFVET-GFCCVEGCSA-N -1 0 323.377 3.960 20 30 DHEDRM Cc1oc(C(C)C)nc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647379884 1020261842 /nfs/dbraw/zinc/26/18/42/1020261842.db2.gz UYLPOCUSCONNPH-NSHDSACASA-N -1 0 315.398 3.930 20 30 DHEDRM CCC(CC)S(=O)(=O)[N-]C(=O)C(C)(C)c1ccc(F)cc1 ZINC000073837394 1020392548 /nfs/dbraw/zinc/39/25/48/1020392548.db2.gz GQUJKCAJEQZKOL-UHFFFAOYSA-N -1 0 315.410 3.578 20 30 DHEDRM CCC(CC)S(=O)(=O)[N-]C(=O)CCc1ccc(Cl)s1 ZINC000073838108 1020401437 /nfs/dbraw/zinc/40/14/37/1020401437.db2.gz FHVWKMZYVOIRBF-UHFFFAOYSA-N -1 0 323.867 3.809 20 30 DHEDRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC000073838052 1020401855 /nfs/dbraw/zinc/40/18/55/1020401855.db2.gz ARWSCUGEOYEPMR-OLZOCXBDSA-N -1 0 301.452 3.700 20 30 DHEDRM N#Cc1ccc([O-])c(NC(=O)CCSc2ccc(F)cc2)c1 ZINC000179727713 1020438001 /nfs/dbraw/zinc/43/80/01/1020438001.db2.gz TZTLZBNRHUJADA-UHFFFAOYSA-N -1 0 316.357 3.524 20 30 DHEDRM COc1ccc(C)cc1C(=O)/C=C\c1cc(C(=O)[O-])cs1 ZINC000765823000 1020440688 /nfs/dbraw/zinc/44/06/88/1020440688.db2.gz CQSMUEDGJXCZMB-PLNGDYQASA-N -1 0 302.351 3.659 20 30 DHEDRM Cc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)cc1[N+](=O)[O-] ZINC000765825562 1020448006 /nfs/dbraw/zinc/44/80/06/1020448006.db2.gz PXBJWIZXOGLSQW-SNAWJCMRSA-N -1 0 317.322 3.559 20 30 DHEDRM O=C(/C=C/c1ccc(Cl)c(F)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000749586215 1020472515 /nfs/dbraw/zinc/47/25/15/1020472515.db2.gz BLONCZCDDRHYEH-GORDUTHDSA-N -1 0 321.691 3.989 20 30 DHEDRM CC(C)Oc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccn1 ZINC000347839349 1020560080 /nfs/dbraw/zinc/56/00/80/1020560080.db2.gz XYGOSGLAQZKFHS-CYBMUJFWSA-N -1 0 321.336 3.500 20 30 DHEDRM N#Cc1c(F)cc(F)cc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212516035 1020591302 /nfs/dbraw/zinc/59/13/02/1020591302.db2.gz VXWNZEVLAUWFSI-UHFFFAOYSA-N -1 0 310.206 3.556 20 30 DHEDRM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230332998 1020602761 /nfs/dbraw/zinc/60/27/61/1020602761.db2.gz YXNRUWARAJIOCP-UHFFFAOYSA-N -1 0 306.412 3.544 20 30 DHEDRM Cc1c2cccc(C)c2oc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000066506492 1020895515 /nfs/dbraw/zinc/89/55/15/1020895515.db2.gz VISSFHMPJTYOJV-HNNXBMFYSA-N -1 0 319.364 3.947 20 30 DHEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1cnc2ccsc2c1 ZINC000739403701 1020904128 /nfs/dbraw/zinc/90/41/28/1020904128.db2.gz YLEYDSDPQNFSCW-UHFFFAOYSA-N -1 0 311.366 3.831 20 30 DHEDRM COc1ccc(-c2csc(C(C#N)=C([O-])C=C(C)C)n2)cc1 ZINC000066544016 1020916772 /nfs/dbraw/zinc/91/67/72/1020916772.db2.gz ZHAPRFXSELPQAW-CQSZACIVSA-N -1 0 312.394 3.961 20 30 DHEDRM Cc1cc(=O)[n-]c(N=NC2CCC[C@H]2c2ccc(Cl)cc2)n1 ZINC000741450239 1021007129 /nfs/dbraw/zinc/00/71/29/1021007129.db2.gz VDURPOZKHCXEHD-ZDUSSCGKSA-N -1 0 316.792 3.880 20 30 DHEDRM Cc1cc(=O)[n-]c(N=NC2CCC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000741450238 1021007336 /nfs/dbraw/zinc/00/73/36/1021007336.db2.gz 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O=[N+]([O-])c1ccc([O-])c(/C=N/[C@H]2COc3ccc(Cl)cc32)c1 ZINC000761787852 1036167841 /nfs/dbraw/zinc/16/78/41/1036167841.db2.gz WHHPUISBNCQBHR-SRYMZENNSA-N -1 0 318.716 3.506 20 30 DHEDRM N#Cc1cc(NC(=O)c2cc(Cl)c(Cl)s2)ccc1O ZINC001195175984 1036170770 /nfs/dbraw/zinc/17/07/70/1036170770.db2.gz CYYCGUOLNFUDCX-UHFFFAOYSA-N -1 0 313.165 3.884 20 30 DHEDRM C=C[C@H](CC)CC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000907845123 1036292202 /nfs/dbraw/zinc/29/22/02/1036292202.db2.gz CFKJTWZJPLIEQV-GFCCVEGCSA-N -1 0 305.374 3.713 20 30 DHEDRM N#Cc1c(NC(=O)c2ccc(C#N)cc2[O-])sc2ccccc12 ZINC001195740745 1036334959 /nfs/dbraw/zinc/33/49/59/1036334959.db2.gz LBVIFGLPJFWABU-UHFFFAOYSA-N -1 0 319.345 3.603 20 30 DHEDRM C=CCN(CCc1ccccc1)C(=O)c1cccc(Cl)c1[O-] ZINC000775677870 1036409184 /nfs/dbraw/zinc/40/91/84/1036409184.db2.gz UXSHJXFVTVSUKT-UHFFFAOYSA-N -1 0 315.800 3.917 20 30 DHEDRM Cc1cccc(NC(=S)Nc2cc(C#N)c(F)cc2[O-])c1C ZINC001196422139 1036534901 /nfs/dbraw/zinc/53/49/01/1036534901.db2.gz 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962974751 /nfs/dbraw/zinc/97/47/51/962974751.db2.gz OQJVFJHSUFBTOE-UHFFFAOYSA-N -1 0 321.348 3.630 20 30 DHEDRM N#CCc1cccc(C([O-])=C(C#N)c2nc3ccccc3s2)c1 ZINC000048824681 1013498916 /nfs/dbraw/zinc/49/89/16/1013498916.db2.gz FOPPASIRJPFDJE-AWEZNQCLSA-N -1 0 317.373 3.852 20 30 DHEDRM C#Cc1ccc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)cc1 ZINC001210114745 1013551868 /nfs/dbraw/zinc/55/18/68/1013551868.db2.gz GEJGGWJOWGMYBH-UHFFFAOYSA-N -1 0 323.373 3.811 20 30 DHEDRM CCCCC(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000048519077 1013816517 /nfs/dbraw/zinc/81/65/17/1013816517.db2.gz BJOVFIBOCQBDAL-UHFFFAOYSA-N -1 0 309.309 3.541 20 30 DHEDRM C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2Cl)C1 ZINC000076765050 1013854063 /nfs/dbraw/zinc/85/40/63/1013854063.db2.gz GCVFUOMYEVRWBE-WDEREUQCSA-N -1 0 315.822 3.812 20 30 DHEDRM C=CC[C@H]1N(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCC1(C)C ZINC000331287303 1013869325 /nfs/dbraw/zinc/86/93/25/1013869325.db2.gz HRYQEIHFAFIYIL-OAHLLOKOSA-N -1 0 318.373 3.507 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2cccc(F)c2C#N)n1 ZINC000188956197 1013902516 /nfs/dbraw/zinc/90/25/16/1013902516.db2.gz XFRONGSVLOXQKL-GFCCVEGCSA-N -1 0 313.357 3.767 20 30 DHEDRM CCCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000050204939 1014111759 /nfs/dbraw/zinc/11/17/59/1014111759.db2.gz NKRMKTZBKURQBW-STQMWFEESA-N -1 0 315.822 3.530 20 30 DHEDRM CC(C)(C#N)Cc1cccc(-c2cc(C(=O)[O-])ccc2CO)c1 ZINC000594874490 974991494 /nfs/dbraw/zinc/99/14/94/974991494.db2.gz SUKPVHAMZROBLS-UHFFFAOYSA-N -1 0 309.365 3.636 20 30 DHEDRM CC(C)Oc1cccc(/C=C/C(=O)c2cc(C(=O)[O-])co2)c1 ZINC001591792108 975993833 /nfs/dbraw/zinc/99/38/33/975993833.db2.gz FQZRLPDHNBIDAT-VOTSOKGWSA-N -1 0 300.310 3.661 20 30 DHEDRM CC(C)c1ccc2ncc(C#N)c(N3CC[C@@H](C(=O)[O-])[C@@H]3C)c2c1 ZINC001591981654 976597620 /nfs/dbraw/zinc/59/76/20/976597620.db2.gz UYZATOAHHCQXOS-SWLSCSKDSA-N -1 0 323.396 3.529 20 30 DHEDRM CC(C)c1nccnc1N=NC1CCC[C@@H](CCCC(=O)[O-])C1 ZINC001592039961 976763942 /nfs/dbraw/zinc/76/39/42/976763942.db2.gz UORFTPNQTYQQNI-ZDUSSCGKSA-N -1 0 318.421 3.813 20 30 DHEDRM C[C@@H](CC#N)OC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001592225715 977412772 /nfs/dbraw/zinc/41/27/72/977412772.db2.gz KYPMYNWMODFZTR-LBPRGKRZSA-N -1 0 309.321 3.511 20 30 DHEDRM CCO[C@H]1CC(N=Nc2cccc(C(=O)[O-])c2)C12CCCC2 ZINC000743417963 978679005 /nfs/dbraw/zinc/67/90/05/978679005.db2.gz RGUOZRDQVNACMX-HNNXBMFYSA-N -1 0 302.374 3.522 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1NN=C(C)c1c(F)cccc1F ZINC000756901316 978701544 /nfs/dbraw/zinc/70/15/44/978701544.db2.gz OLQOZVQKSNSOHI-UHFFFAOYSA-N -1 0 320.295 3.508 20 30 DHEDRM Cc1ccc([C@H]2CCCC2N=Nc2ccc(C(=O)[O-])cn2)cc1 ZINC000763376893 978723396 /nfs/dbraw/zinc/72/33/96/978723396.db2.gz IFSMGTWKKNVKMN-OAHLLOKOSA-N -1 0 309.369 3.824 20 30 DHEDRM O=C([O-])c1ccc(N=NCC2CCC(C(F)(F)F)CC2)nc1 ZINC000767387261 978737192 /nfs/dbraw/zinc/73/71/92/978737192.db2.gz YVFRUGHFLOOZKZ-UHFFFAOYSA-N -1 0 315.295 3.546 20 30 DHEDRM O=C([O-])c1cccc(/C=C2/CCc3ccc([N+](=O)[O-])cc3C2=O)c1 ZINC000773152231 978744281 /nfs/dbraw/zinc/74/42/81/978744281.db2.gz UMWLUXPUAVXFLG-JYRVWZFOSA-N -1 0 323.304 3.506 20 30 DHEDRM O=C([O-])c1cccc(/C=C\C(=O)c2ccccc2OC(F)F)c1 ZINC000774119712 978746042 /nfs/dbraw/zinc/74/60/42/978746042.db2.gz GHYYYLHGVOAQMJ-HJWRWDBZSA-N -1 0 318.275 3.882 20 30 DHEDRM COc1cccc2c1CC/C(=C/c1ccc(C(=O)[O-])cc1)C2=O ZINC000799503262 978841403 /nfs/dbraw/zinc/84/14/03/978841403.db2.gz YFCLYGQPAFTPQP-KAMYIIQDSA-N -1 0 308.333 3.606 20 30 DHEDRM C[C@H]1C(N=Nc2ccc(OC(F)F)cc2)CC[C@H]1CC(=O)[O-] ZINC000814828443 978889776 /nfs/dbraw/zinc/88/97/76/978889776.db2.gz CQFDGILGCVVISK-ZJUUUORDSA-N -1 0 312.316 3.577 20 30 DHEDRM CC(C)c1nccnc1N=NC(C)[C@@H](C)CCCCC(=O)[O-] ZINC000814916927 978898862 /nfs/dbraw/zinc/89/88/62/978898862.db2.gz NGPLCEXSGXTUCJ-LBPRGKRZSA-N -1 0 306.410 3.669 20 30 DHEDRM CCC(CC)(CNc1ccc(C(=O)[O-])nc1C#N)c1ccccc1 ZINC001595084081 979373846 /nfs/dbraw/zinc/37/38/46/979373846.db2.gz AXNKXNRRZSWLBS-UHFFFAOYSA-N -1 0 323.396 3.821 20 30 DHEDRM N#Cc1cc(Cl)ccc1Nc1c(F)cc(C(=O)[O-])cc1F ZINC001215613472 1014573873 /nfs/dbraw/zinc/57/38/73/1014573873.db2.gz MULGTTLZMVUGKG-UHFFFAOYSA-N -1 0 308.671 3.932 20 30 DHEDRM Cc1cc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc(C)c1O ZINC000759090132 1014573454 /nfs/dbraw/zinc/57/34/54/1014573454.db2.gz JLINWIVYLRJLKG-HWKANZROSA-N -1 0 313.309 3.519 20 30 DHEDRM C=CCCC1(CNC(=O)c2ccc(/C=C\C(=O)[O-])o2)CCCC1 ZINC000851613321 979537219 /nfs/dbraw/zinc/53/72/19/979537219.db2.gz ASPSKBIRHVCDAZ-CLFYSBASSA-N -1 0 317.385 3.634 20 30 DHEDRM CC[C@@H](N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccc(C#N)cc1 ZINC001595282959 980345932 /nfs/dbraw/zinc/34/59/32/980345932.db2.gz ZLYZFDBDNDERPA-ZWNOBZJWSA-N -1 0 315.398 3.515 20 30 DHEDRM N#CC1(CCCCN2CC[C@@H](C(=O)[O-])c3ccccc32)CCC1 ZINC000903701090 981015353 /nfs/dbraw/zinc/01/53/53/981015353.db2.gz FYDZJOHANAOGHC-MRXNPFEDSA-N -1 0 312.413 3.929 20 30 DHEDRM Cc1nc(C)c(/C=C2\CCCc3cc(C(=O)[O-])ccc3C2=O)o1 ZINC000905086115 981088686 /nfs/dbraw/zinc/08/86/86/981088686.db2.gz REFZZYCYDYVODB-UKTHLTGXSA-N -1 0 311.337 3.592 20 30 DHEDRM C=CCn1ncc2ccc(NC3CCC(CC(=O)[O-])CC3)cc21 ZINC000905752908 981140990 /nfs/dbraw/zinc/14/09/90/981140990.db2.gz VYIMEFFNDCPHSJ-UHFFFAOYSA-N -1 0 313.401 3.668 20 30 DHEDRM C#CCC1(C(=O)NCCCCC2(C(=O)[O-])CCC2)CCCCC1 ZINC000908336935 981301882 /nfs/dbraw/zinc/30/18/82/981301882.db2.gz QFJBXRXREWPAOQ-UHFFFAOYSA-N -1 0 319.445 3.502 20 30 DHEDRM C=CCCC[C@@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000910914331 982161640 /nfs/dbraw/zinc/16/16/40/982161640.db2.gz GBJKYAOHNCMSCJ-GFCCVEGCSA-N -1 0 316.184 3.533 20 30 DHEDRM CCCCCCCC[C@H](C)CC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001595704668 982278213 /nfs/dbraw/zinc/27/82/13/982278213.db2.gz GGHKAKVURGWWBR-KKUMJFAQSA-N -1 0 315.429 3.787 20 30 DHEDRM CCCCCCCC[C@H](C)C(=O)Nc1c(C(=O)[O-])c(C)nn1C ZINC001595705233 982283827 /nfs/dbraw/zinc/28/38/27/982283827.db2.gz SFPIESRTFJHUIV-LBPRGKRZSA-N -1 0 323.437 3.752 20 30 DHEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1cc(C)oc1C ZINC000443412814 1014907114 /nfs/dbraw/zinc/90/71/14/1014907114.db2.gz CXDMDEVCDPSYHE-UHFFFAOYSA-N -1 0 305.399 3.816 20 30 DHEDRM C#C[C@@H](Nc1cc(C(F)(F)F)c(C(=O)[O-])cn1)c1ccccc1 ZINC001588376520 983351982 /nfs/dbraw/zinc/35/19/82/983351982.db2.gz UNOBZIOTMVFROO-CYBMUJFWSA-N -1 0 320.270 3.585 20 30 DHEDRM C=C(C)C[C@@H](C)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001588536543 983594383 /nfs/dbraw/zinc/59/43/83/983594383.db2.gz RFJGFAJOJMDRDP-GFCCVEGCSA-N -1 0 307.415 3.794 20 30 DHEDRM C=C(CC(C)C)C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC001588605515 983693068 /nfs/dbraw/zinc/69/30/68/983693068.db2.gz KMLMEKUKDUGAOM-INIZCTEOSA-N -1 0 309.450 3.909 20 30 DHEDRM C=C(C)c1cccc(NC(=O)NCc2ccccc2CC(=O)[O-])c1 ZINC001588606345 983697372 /nfs/dbraw/zinc/69/73/72/983697372.db2.gz XXGHXVUMNWLCPN-UHFFFAOYSA-N -1 0 324.380 3.669 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N1CC[C@H](C)C[C@H]1c1ccc(CC)o1 ZINC001588614242 983706836 /nfs/dbraw/zinc/70/68/36/983706836.db2.gz PCYCFPHZKXDWOQ-WFASDCNBSA-N -1 0 319.401 3.563 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N1Cc2ccccc2-c2ccccc21 ZINC001588618946 983713865 /nfs/dbraw/zinc/71/38/65/983713865.db2.gz GEDXFLKITBMBHH-UHFFFAOYSA-N -1 0 307.349 3.621 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N[C@H]1CCC[C@H](c2ccccc2)CC1 ZINC001588621865 983720908 /nfs/dbraw/zinc/72/09/08/983720908.db2.gz LJFULFLTGBHPHT-IRXDYDNUSA-N -1 0 315.413 3.640 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC001588622465 983724037 /nfs/dbraw/zinc/72/40/37/983724037.db2.gz YUBNBEPCALCEHL-SFHVURJKSA-N -1 0 315.413 3.845 20 30 DHEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001588644388 983769422 /nfs/dbraw/zinc/76/94/22/983769422.db2.gz UBEBMDUWMPAVRA-WQVCFCJDSA-N -1 0 314.385 3.590 20 30 DHEDRM C=C1CCC(CNC(=O)Nc2cc(C)cc(C(=O)[O-])c2)CC1 ZINC001588650085 983771973 /nfs/dbraw/zinc/77/19/73/983771973.db2.gz XARZFCPLEKPKPO-UHFFFAOYSA-N -1 0 302.374 3.561 20 30 DHEDRM C=C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1)c1ccccc1 ZINC001588663764 983796663 /nfs/dbraw/zinc/79/66/63/983796663.db2.gz KMIMGKLLRLVDOJ-ZWKOTPCHSA-N -1 0 323.392 3.515 20 30 DHEDRM C=C[C@@H](CC)CC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001588691258 983879366 /nfs/dbraw/zinc/87/93/66/983879366.db2.gz VUKZBGINEDVBEA-NSHDSACASA-N -1 0 317.410 3.818 20 30 DHEDRM C=C[C@@H]1CCCCN1C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC001588719011 983958435 /nfs/dbraw/zinc/95/84/35/983958435.db2.gz IWYAUQIDDRSNOC-LLVKDONJSA-N -1 0 308.765 3.611 20 30 DHEDRM C=CC1(CC(=O)Nc2cccc(OCC(=O)[O-])c2)CCCCC1 ZINC001588719573 983961504 /nfs/dbraw/zinc/96/15/04/983961504.db2.gz VUAJEJYQOIVAFE-UHFFFAOYSA-N -1 0 317.385 3.615 20 30 DHEDRM C=CC[C@H](C(=O)O[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC001588731907 984013167 /nfs/dbraw/zinc/01/31/67/984013167.db2.gz QBFUFHKSRFIUTN-ZWKOTPCHSA-N -1 0 324.376 3.585 20 30 DHEDRM C=CC[C@@H](CC)NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001588736457 984025589 /nfs/dbraw/zinc/02/55/89/984025589.db2.gz ZUPXRJZCABGBDB-MRVPVSSYSA-N -1 0 314.744 3.654 20 30 DHEDRM C=CC[C@@H](Sc1nc(C(C)C)nc2ccccc21)C(=O)[O-] ZINC001588758444 984105917 /nfs/dbraw/zinc/10/59/17/984105917.db2.gz GKTKZFBITIFETI-CYBMUJFWSA-N -1 0 302.399 3.875 20 30 DHEDRM C=CC[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC001588759015 984108596 /nfs/dbraw/zinc/10/85/96/984108596.db2.gz NQHXLZXJHFDSKE-JTQLQIEISA-N -1 0 310.762 3.511 20 30 DHEDRM C=CCCCC(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001588782814 984174833 /nfs/dbraw/zinc/17/48/33/984174833.db2.gz NNUNYOSVCDKQRE-UHFFFAOYSA-N -1 0 308.403 3.794 20 30 DHEDRM C=CCCC[C@H](C)NC(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001588783003 984176237 /nfs/dbraw/zinc/17/62/37/984176237.db2.gz SQVWQYNUICYFBK-HOCLYGCPSA-N -1 0 318.417 3.555 20 30 DHEDRM C=CCCC[C@H](NC(=O)C[C@H](c1ccccc1)C(C)C)C(=O)[O-] ZINC001588789954 984202868 /nfs/dbraw/zinc/20/28/68/984202868.db2.gz NTTMNEXKBVOQFR-IRXDYDNUSA-N -1 0 317.429 3.742 20 30 DHEDRM C=CCCC[C@@H](NC(=O)C[C@H](C)c1ccc(CC)cc1)C(=O)[O-] ZINC001588790256 984205201 /nfs/dbraw/zinc/20/52/01/984205201.db2.gz UHLPWUUPHUVWEK-WMLDXEAASA-N -1 0 317.429 3.668 20 30 DHEDRM C=CCCC[C@@H](NC(=O)c1cc2cccc(Cl)c2o1)C(=O)[O-] ZINC001588792257 984207973 /nfs/dbraw/zinc/20/79/73/984207973.db2.gz BDKFJXVCSXYYCZ-GFCCVEGCSA-N -1 0 321.760 3.626 20 30 DHEDRM C=CCCC[C@H](NC(=O)c1cc(CC)c(CCC)s1)C(=O)[O-] ZINC001588793590 984220119 /nfs/dbraw/zinc/22/01/19/984220119.db2.gz ZYIQTQREQNSXKG-ZDUSSCGKSA-N -1 0 323.458 3.802 20 30 DHEDRM C=CCCCCCNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001588799931 984242846 /nfs/dbraw/zinc/24/28/46/984242846.db2.gz QKASQRMLCSTVHV-UHFFFAOYSA-N -1 0 312.316 3.531 20 30 DHEDRM C=CCN(Cc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001588832347 984321201 /nfs/dbraw/zinc/32/12/01/984321201.db2.gz FHRZRRUYVDQAFD-UHFFFAOYSA-N -1 0 324.380 3.534 20 30 DHEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CC(C)(C)C=C ZINC001588882210 984462560 /nfs/dbraw/zinc/46/25/60/984462560.db2.gz NUWXXAMSJYEHFV-UHFFFAOYSA-N -1 0 318.369 3.630 20 30 DHEDRM C=CCn1ncc2ccc(NCc3ccc(/C=C/C(=O)[O-])o3)cc21 ZINC001588912951 984553943 /nfs/dbraw/zinc/55/39/43/984553943.db2.gz UJCGWTGENYTVJK-BQYQJAHWSA-N -1 0 323.352 3.525 20 30 DHEDRM CCC[C@H](C)C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000076905041 1015155111 /nfs/dbraw/zinc/15/51/11/1015155111.db2.gz NHGFBDJDBYCNAK-LBPRGKRZSA-N -1 0 307.415 3.696 20 30 DHEDRM CC(C)(C#N)CCCn1ncc2ccc(Cl)c(C(=O)[O-])c21 ZINC001589554960 987305054 /nfs/dbraw/zinc/30/50/54/987305054.db2.gz YKRRZNIJZTUMSG-UHFFFAOYSA-N -1 0 305.765 3.718 20 30 DHEDRM CSc1ccc2c(c1)CC/C(=C/c1cc(C(=O)[O-])co1)C2=O ZINC001599822525 988539653 /nfs/dbraw/zinc/53/96/53/988539653.db2.gz KABZQRUDCPDCIC-WDZFZDKYSA-N -1 0 314.362 3.912 20 30 DHEDRM CC(C)(C)Oc1cccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC001590420144 989962905 /nfs/dbraw/zinc/96/29/05/989962905.db2.gz NWRVJYCGGUYQCR-KRWDZBQOSA-N -1 0 324.380 3.973 20 30 DHEDRM CC(C)(C)c1coc(SCc2cccc(C(=O)[O-])c2C#N)n1 ZINC001590527202 990141532 /nfs/dbraw/zinc/14/15/32/990141532.db2.gz XBBYZTVDEFWTHR-UHFFFAOYSA-N -1 0 316.382 3.834 20 30 DHEDRM C[C@@H](CC(=O)NOc1cccc(C#N)c1)c1c[nH]c2ccccc21 ZINC001171256267 1032119295 /nfs/dbraw/zinc/11/92/95/1032119295.db2.gz ULDVKAPLDZZWKK-ZDUSSCGKSA-N -1 0 319.364 3.643 20 30 DHEDRM C=CCOc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1 ZINC000041540186 1015611273 /nfs/dbraw/zinc/61/12/73/1015611273.db2.gz GZUWUIIWJOKQDY-HNNXBMFYSA-N -1 0 318.332 3.883 20 30 DHEDRM C[C@@H](Nc1ccc(OCC#N)cc1)c1cc(C(=O)[O-])cs1 ZINC001593363554 995037201 /nfs/dbraw/zinc/03/72/01/995037201.db2.gz SWUSIVHOISRNMN-SNVBAGLBSA-N -1 0 302.355 3.522 20 30 DHEDRM COc1c(C)cc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cc1Cl ZINC001599331796 997760464 /nfs/dbraw/zinc/76/04/64/997760464.db2.gz SXUVOKAFQCVWSV-XQRVVYSFSA-N -1 0 319.744 3.579 20 30 DHEDRM COc1c(C)cc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cc1Cl ZINC001599331795 997760993 /nfs/dbraw/zinc/76/09/93/997760993.db2.gz SXUVOKAFQCVWSV-GQCTYLIASA-N -1 0 319.744 3.579 20 30 DHEDRM COc1ccc(/C=C/c2nc(Cl)c(C(=O)[O-])s2)cc1C#N ZINC001599543342 997881870 /nfs/dbraw/zinc/88/18/70/997881870.db2.gz FGXHQPYSBJHQOE-HWKANZROSA-N -1 0 320.757 3.545 20 30 DHEDRM C[C@H]1C/C(=C/c2cc(C(=O)[O-])n(C)c2)C(=O)c2sccc21 ZINC001594197387 998763997 /nfs/dbraw/zinc/76/39/97/998763997.db2.gz RHCVWFMQLLAXAW-ISAHRAOESA-N -1 0 301.367 3.558 20 30 DHEDRM CC(C)c1ccoc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000342451334 1016493652 /nfs/dbraw/zinc/49/36/52/1016493652.db2.gz WFHPBIDFSLZHRX-CYBMUJFWSA-N -1 0 307.353 3.780 20 30 DHEDRM Cc1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1C#N ZINC000146557573 1016582002 /nfs/dbraw/zinc/58/20/02/1016582002.db2.gz PHYOTSYDKQAQSK-UHFFFAOYSA-N -1 0 322.389 3.821 20 30 DHEDRM Cc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)ccn1 ZINC000671278975 1016766068 /nfs/dbraw/zinc/76/60/68/1016766068.db2.gz SBYSAXQPWVFCFC-GFCCVEGCSA-N -1 0 311.341 3.629 20 30 DHEDRM N#Cc1ccc(/C=C(/CC(=O)[O-])c2nc3ccccc3o2)s1 ZINC000361951030 1032171019 /nfs/dbraw/zinc/17/10/19/1032171019.db2.gz HAKWCWUREKQODY-YFHOEESVSA-N -1 0 310.334 3.776 20 30 DHEDRM N#CC(=C([O-])c1scnc1C1CC1)c1nc2ccccc2o1 ZINC000179363457 1017244609 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ZINC000193619457 1025942648 /nfs/dbraw/zinc/94/26/48/1025942648.db2.gz URRMXZBVLWAVNA-OAHLLOKOSA-N -1 0 302.333 3.807 20 30 DHEDRM N#Cc1cc(O)cc(C(=O)N[C@H](c2ccccc2)C2CCC2)c1 ZINC000614299393 1026056619 /nfs/dbraw/zinc/05/66/19/1026056619.db2.gz RISNKTZDBDJUBA-GOSISDBHSA-N -1 0 306.365 3.535 20 30 DHEDRM C=CCN(CC1CCCCC1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356570081 1026089510 /nfs/dbraw/zinc/08/95/10/1026089510.db2.gz BFDGKARVRKWTLH-UHFFFAOYSA-N -1 0 318.373 3.509 20 30 DHEDRM C[C@H](CC(=O)[N-]S(=O)(=O)C1CCCC1)c1ccccc1F ZINC000086054469 1026188273 /nfs/dbraw/zinc/18/82/73/1026188273.db2.gz VJUNPQNAFGKFCC-LLVKDONJSA-N -1 0 313.394 3.548 20 30 DHEDRM Cc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)ccc1F ZINC000729140574 1026378688 /nfs/dbraw/zinc/37/86/88/1026378688.db2.gz JUGGNCSWMWRUEM-UHFFFAOYSA-N -1 0 306.724 3.932 20 30 DHEDRM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1c(F)cccc1Cl ZINC000809159030 1026471601 /nfs/dbraw/zinc/47/16/01/1026471601.db2.gz GMWMFIJIPBIPDW-FNORWQNLSA-N -1 0 321.691 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C=CCC(CC=C)C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000345804619 335352211 /nfs/dbraw/zinc/35/22/11/335352211.db2.gz ITDQQTHAKJVSOG-OAHLLOKOSA-N -1 0 315.413 3.504 20 30 DHEDRM C=CCC(CC=C)C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000345804617 335352326 /nfs/dbraw/zinc/35/23/26/335352326.db2.gz ITDQQTHAKJVSOG-HNNXBMFYSA-N -1 0 315.413 3.504 20 30 DHEDRM CCc1nc(C)c(C([O-])=C(C#N)c2nccc3ccccc32)o1 ZINC000346246783 335394232 /nfs/dbraw/zinc/39/42/32/335394232.db2.gz UGULPRXANFRINF-CQSZACIVSA-N -1 0 305.337 3.584 20 30 DHEDRM CC1(C)CCC[C@@H](C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)C1 ZINC000329112769 335942302 /nfs/dbraw/zinc/94/23/02/335942302.db2.gz ROMYHNSKVGCUII-GFCCVEGCSA-N -1 0 314.389 3.982 20 30 DHEDRM O=C(CC1(C(=O)[O-])CCCC1)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000330072277 336111123 /nfs/dbraw/zinc/11/11/23/336111123.db2.gz YWSAEIJHLBHJQV-AWEZNQCLSA-N -1 0 323.433 3.860 20 30 DHEDRM C=C[C@@H](CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000192934086 336285236 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COc1ccccc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000177772040 337157330 /nfs/dbraw/zinc/15/73/30/337157330.db2.gz NFLMQBUMYNXVRK-GFCCVEGCSA-N -1 0 300.383 3.765 20 30 DHEDRM CCCCn1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)n1 ZINC000187486054 337266329 /nfs/dbraw/zinc/26/63/29/337266329.db2.gz VMIHJDXSIQLCQY-CYBMUJFWSA-N -1 0 322.368 3.623 20 30 DHEDRM Cc1cc(C)c2ncc(C#N)c(NC3CCC(C(=O)[O-])CC3)c2c1 ZINC000263565304 337631658 /nfs/dbraw/zinc/63/16/58/337631658.db2.gz VNTPYJZOCFJKKG-UHFFFAOYSA-N -1 0 323.396 3.779 20 30 DHEDRM Cc1cc(C)c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)o1 ZINC000429339947 338077994 /nfs/dbraw/zinc/07/79/94/338077994.db2.gz GIYQKLLAORPGOH-NSHDSACASA-N -1 0 308.259 3.800 20 30 DHEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3coc4ccccc43)nc1-2 ZINC000429571470 338084608 /nfs/dbraw/zinc/08/46/08/338084608.db2.gz RIMAUERTLUNRPN-GFCCVEGCSA-N -1 0 316.320 3.503 20 30 DHEDRM N#CC(=C([O-])c1c[nH]c(C(F)(F)F)c1)c1nc2ccccc2o1 ZINC000429698751 338087661 /nfs/dbraw/zinc/08/76/61/338087661.db2.gz 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ZINC000230334442 340619586 /nfs/dbraw/zinc/61/95/86/340619586.db2.gz DMBDFKUSPLVZOD-UHFFFAOYSA-N -1 0 306.412 3.544 20 30 DHEDRM C=CCc1cc([N+](=O)[O-])ccc1OCc1cc(C(=O)[O-])c(C)o1 ZINC000736115160 599859417 /nfs/dbraw/zinc/85/94/17/599859417.db2.gz VYVAUJHNSBTRSE-UHFFFAOYSA-N -1 0 317.297 3.502 20 30 DHEDRM CCCC[C@@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)[O-] ZINC000736983296 599870317 /nfs/dbraw/zinc/87/03/17/599870317.db2.gz YRCCNODVYZPLKM-TZMCWYRMSA-N -1 0 306.431 3.994 20 30 DHEDRM CCCC[C@@H](Nc1ccccc1SC[C@@H](C)C#N)C(=O)[O-] ZINC000736983291 599870457 /nfs/dbraw/zinc/87/04/57/599870457.db2.gz YRCCNODVYZPLKM-GXTWGEPZSA-N -1 0 306.431 3.994 20 30 DHEDRM C=CCN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000736108990 600016417 /nfs/dbraw/zinc/01/64/17/600016417.db2.gz ZJJCPMVVGDRGMK-UHFFFAOYSA-N -1 0 324.380 3.913 20 30 DHEDRM C=CCN(Cc1ccccc1F)Cc1ccc(F)cc1C(=O)[O-] ZINC000736108633 600088808 /nfs/dbraw/zinc/08/88/08/600088808.db2.gz KSADCVXZIBENSP-UHFFFAOYSA-N -1 0 317.335 3.851 20 30 DHEDRM CCc1ccccc1NN=Cc1c[nH]c2ccc(C(=O)[O-])cc12 ZINC000737273615 600181189 /nfs/dbraw/zinc/18/11/89/600181189.db2.gz ADXFLZPIZBCICH-UHFFFAOYSA-N -1 0 307.353 3.875 20 30 DHEDRM CN(Cc1ccc(Cl)s1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737471725 600562379 /nfs/dbraw/zinc/56/23/79/600562379.db2.gz HOPDPTKDZPWBBH-CQSZACIVSA-N -1 0 320.801 3.531 20 30 DHEDRM COc1cccc(C=Nc2cc(Cl)cc(C(=O)[O-])c2)c1O ZINC000738096482 600580994 /nfs/dbraw/zinc/58/09/94/600580994.db2.gz OUEBNERCIDKWDQ-UHFFFAOYSA-N -1 0 305.717 3.503 20 30 DHEDRM C=CCCCCCN(C)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736097423 600624411 /nfs/dbraw/zinc/62/44/11/600624411.db2.gz LBRKFPNUNQDLPJ-UHFFFAOYSA-N -1 0 305.378 3.987 20 30 DHEDRM C=CCOc1ccc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)cc1 ZINC000825698425 600696249 /nfs/dbraw/zinc/69/62/49/600696249.db2.gz IIHZGTXTHORSHI-UHFFFAOYSA-N -1 0 322.320 3.667 20 30 DHEDRM C/C(=C/CSc1nc(-c2ccccc2)ccc1C#N)C(=O)[O-] ZINC000825792875 600729086 /nfs/dbraw/zinc/72/90/86/600729086.db2.gz KEYYIXPTHTVNHU-XFXZXTDPSA-N -1 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C=CC(C)(C)CCCNC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001588672872 983827649 /nfs/dbraw/zinc/82/76/49/983827649.db2.gz CCBSKNVTWULVIS-UHFFFAOYSA-N -1 0 304.390 3.807 20 30 DHEDRM CCN(Cc1cccc(C(=O)[O-])c1C#N)c1cccc(C)c1F ZINC001596364663 983851693 /nfs/dbraw/zinc/85/16/93/983851693.db2.gz VIIRDSDJZCOCSY-UHFFFAOYSA-N -1 0 312.344 3.731 20 30 DHEDRM C=C[C@@H](CC)CC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001588691133 983878763 /nfs/dbraw/zinc/87/87/63/983878763.db2.gz RQTJARMUSQYVKH-ZDUSSCGKSA-N -1 0 316.401 3.526 20 30 DHEDRM CCN(c1ccc(Nc2ccc(C(=O)[O-])nc2C#N)cc1)C(C)C ZINC001596385661 983913081 /nfs/dbraw/zinc/91/30/81/983913081.db2.gz OKIMJVSSSNBJNC-UHFFFAOYSA-N -1 0 324.384 3.630 20 30 DHEDRM C=C[C@H](Sc1nc2ccccc2n1-c1ccccc1)C(=O)[O-] ZINC001588714241 983950691 /nfs/dbraw/zinc/95/06/91/983950691.db2.gz CVDZNIRJYWBRNE-HNNXBMFYSA-N -1 0 310.378 3.757 20 30 DHEDRM C=CC1(CC(=O)NCC2(CC(=O)[O-])CCCC2)CCCCC1 ZINC001588719424 983960421 /nfs/dbraw/zinc/96/04/21/983960421.db2.gz RHWAVPIVOXCHIO-UHFFFAOYSA-N -1 0 307.434 3.664 20 30 DHEDRM C=CC1(CC(=O)N[C@H](CC(=O)[O-])C2CCCC2)CCCCC1 ZINC001588719720 983962943 /nfs/dbraw/zinc/96/29/43/983962943.db2.gz XFQAJAUNYPTERD-OAHLLOKOSA-N -1 0 307.434 3.663 20 30 DHEDRM C=CCC(C)(C)C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001588732326 984018017 /nfs/dbraw/zinc/01/80/17/984018017.db2.gz ZRCGPYUYLRBMPN-OAHLLOKOSA-N -1 0 315.413 3.523 20 30 DHEDRM C=CC[C@H](C(=O)OCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001588732317 984018362 /nfs/dbraw/zinc/01/83/62/984018362.db2.gz ZFILQODOZYSWMS-KRWDZBQOSA-N -1 0 310.349 3.788 20 30 DHEDRM C=CCC(C)(C)CNC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001588736510 984025271 /nfs/dbraw/zinc/02/52/71/984025271.db2.gz MGYWANLLMCZFOG-CYBMUJFWSA-N -1 0 318.417 3.674 20 30 DHEDRM C=CCC1(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)CCCCC1 ZINC001588763012 984117997 /nfs/dbraw/zinc/11/79/97/984117997.db2.gz PSSSRHDWRHKTQZ-OAHLLOKOSA-N -1 0 321.461 3.862 20 30 DHEDRM C=CCC1(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)CCCCC1 ZINC001588763742 984120660 /nfs/dbraw/zinc/12/06/60/984120660.db2.gz XVIBXZUGZLCVJT-UHFFFAOYSA-N -1 0 315.413 3.870 20 30 DHEDRM C=CCC1(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CCCC1 ZINC001588764801 984123422 /nfs/dbraw/zinc/12/34/22/984123422.db2.gz JLDJGTFMYKVUIL-UHFFFAOYSA-N -1 0 301.386 3.779 20 30 DHEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001588770612 984135089 /nfs/dbraw/zinc/13/50/89/984135089.db2.gz BKLYLJOYYFAWJG-CJNGLKHVSA-N -1 0 316.401 3.950 20 30 DHEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001588770610 984135171 /nfs/dbraw/zinc/13/51/71/984135171.db2.gz BKLYLJOYYFAWJG-BBRMVZONSA-N -1 0 316.401 3.950 20 30 DHEDRM C=CCCC1(CNC(=O)Cc2ccc(C(=O)[O-])cc2)CCCC1 ZINC001588782488 984172125 /nfs/dbraw/zinc/17/21/25/984172125.db2.gz VUJDFTOAQZXVSK-UHFFFAOYSA-N -1 0 315.413 3.570 20 30 DHEDRM C=CCCCC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001588782981 984176226 /nfs/dbraw/zinc/17/62/26/984176226.db2.gz RLCMBMKGRKFTQL-UHFFFAOYSA-N -1 0 316.401 3.670 20 30 DHEDRM C=CCCC[C@H](NC(=O)/C(C)=C\c1ccc(Cl)cc1)C(=O)[O-] ZINC001588784711 984177438 /nfs/dbraw/zinc/17/74/38/984177438.db2.gz AHFHAAIJKNCXFS-SSCKCOOKSA-N -1 0 321.804 3.669 20 30 DHEDRM C=CCCC[C@H](NC(=O)c1ccc(C2=CCCC2)cc1)C(=O)[O-] ZINC001588792620 984211315 /nfs/dbraw/zinc/21/13/15/984211315.db2.gz KOTDLBXOEWMRSG-KRWDZBQOSA-N -1 0 313.397 3.793 20 30 DHEDRM C=CCN(C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)C(C)C ZINC001588820826 984286970 /nfs/dbraw/zinc/28/69/70/984286970.db2.gz VAPPYUVKEIVZKY-UHFFFAOYSA-N -1 0 312.369 3.966 20 30 DHEDRM C=CCNC(=O)Nc1c(-c2ccc(C)cc2)csc1C(=O)[O-] ZINC001588843862 984354655 /nfs/dbraw/zinc/35/46/55/984354655.db2.gz JUUPFYTYTYPBFV-UHFFFAOYSA-N -1 0 316.382 3.729 20 30 DHEDRM C=CCn1c2ccccc2nc1S[C@@H](C(=O)[O-])[C@@H](C)CC ZINC001588905655 984537710 /nfs/dbraw/zinc/53/77/10/984537710.db2.gz ZXZQYBZAPDCGJT-SMDDNHRTSA-N -1 0 304.415 3.814 20 30 DHEDRM C=CCn1ncc2ccc(NCc3cccc(C(=O)[O-])c3)cc21 ZINC001588913119 984554388 /nfs/dbraw/zinc/55/43/88/984554388.db2.gz 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1015828461 /nfs/dbraw/zinc/82/84/61/1015828461.db2.gz LTHCYGASPQMIAT-FRKPEAEDSA-N -1 0 306.696 3.808 20 30 DHEDRM O=C(/C=C\c1cncc(Br)c1)c1cc(F)ccc1[O-] ZINC000588476527 1015885164 /nfs/dbraw/zinc/88/51/64/1015885164.db2.gz QKKVXZUQAIPVKG-IWQZZHSRSA-N -1 0 322.133 3.585 20 30 DHEDRM O=C(/C=C\c1cncc(Br)c1)c1ccc([O-])c(F)c1 ZINC000588476858 1015888828 /nfs/dbraw/zinc/88/88/28/1015888828.db2.gz MYNOQBZAMUHKNV-IWQZZHSRSA-N -1 0 322.133 3.585 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])C=Cc2cncc(F)c2)n1 ZINC000255434850 1016054495 /nfs/dbraw/zinc/05/44/95/1016054495.db2.gz RTGMFBZAOQMRGZ-DHCBQETCSA-N -1 0 315.373 3.690 20 30 DHEDRM COCC[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599220395 997657943 /nfs/dbraw/zinc/65/79/43/997657943.db2.gz FIQAKHLIWQCKEP-SNVBAGLBSA-N -1 0 310.781 3.643 20 30 DHEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccn(C(F)F)n2)s1 ZINC000684676099 1016167128 /nfs/dbraw/zinc/16/71/28/1016167128.db2.gz URIYNNUXZCLFMJ-MRVPVSSYSA-N -1 0 324.356 3.522 20 30 DHEDRM COc1cc(NN=C(C)c2cc(C(=O)[O-])cs2)ccc1Cl ZINC001599445057 997994184 /nfs/dbraw/zinc/99/41/84/997994184.db2.gz XLMTYGJKSXBXOY-UHFFFAOYSA-N -1 0 324.789 3.944 20 30 DHEDRM COc1ccc(C#N)cc1N[C@@H]1CCC[C@H](CCCC(=O)[O-])C1 ZINC001599477042 998548986 /nfs/dbraw/zinc/54/89/86/998548986.db2.gz UYDFYNUAAVPGEE-UKRRQHHQSA-N -1 0 316.401 3.792 20 30 DHEDRM CCOc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)cc1F ZINC000782323852 1016302372 /nfs/dbraw/zinc/30/23/72/1016302372.db2.gz SVWTXQCYIHFQAT-HYXAFXHYSA-N -1 0 320.341 3.880 20 30 DHEDRM CCc1cccnc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000346923405 1016632559 /nfs/dbraw/zinc/63/25/59/1016632559.db2.gz UAKHQGFMQARABO-LBPRGKRZSA-N -1 0 307.378 3.744 20 30 DHEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2cc3ccccc3o2)cc1 ZINC000750905647 1016684018 /nfs/dbraw/zinc/68/40/18/1016684018.db2.gz OYWHAQNLUBOWMJ-KTKRTIGZSA-N -1 0 306.317 3.956 20 30 DHEDRM C=C[C@@H](CC(=O)Nc1n[nH]c(-c2ccc(C)o2)n1)c1ccccc1 ZINC000089508860 1032347031 /nfs/dbraw/zinc/34/70/31/1032347031.db2.gz UIVFSUBBBIUPCH-ZDUSSCGKSA-N -1 0 322.368 3.672 20 30 DHEDRM COc1cc2c(cc1C=CC(=O)c1sccc1[O-])O[C@H](C)C2 ZINC000773150956 1032578860 /nfs/dbraw/zinc/57/88/60/1032578860.db2.gz RTZAKCKUFMVZHS-UMBAGQNISA-N -1 0 316.378 3.682 20 30 DHEDRM N#Cc1cc(Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)ccc1O ZINC001211487283 1011916514 /nfs/dbraw/zinc/91/65/14/1011916514.db2.gz ABGAJFMCZOGBMI-UHFFFAOYSA-N -1 0 322.242 3.724 20 30 DHEDRM O=C(CCCc1cccs1)[N-]S(=O)(=O)C1CCCCC1 ZINC000049513648 1011959076 /nfs/dbraw/zinc/95/90/76/1011959076.db2.gz SBZANZDLBIGPTD-UHFFFAOYSA-N -1 0 315.460 3.690 20 30 DHEDRM C#Cc1cccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000023371042 1011966597 /nfs/dbraw/zinc/96/65/97/1011966597.db2.gz SACNWEFAPAGWOZ-UHFFFAOYSA-N -1 0 313.422 3.766 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccn(C(C)(C)C)n2)n1 ZINC000654982642 1012237054 /nfs/dbraw/zinc/23/70/54/1012237054.db2.gz XBHZDINKMLJYLH-NSHDSACASA-N -1 0 316.430 3.708 20 30 DHEDRM Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000042301695 1012240929 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[O-]c1c(Cl)cccc1C=NNCc1cnc2ccccc2c1 ZINC000764777912 1018377313 /nfs/dbraw/zinc/37/73/13/1018377313.db2.gz FKUOIIMXZGHTDS-UHFFFAOYSA-N -1 0 311.772 3.718 20 30 DHEDRM CC(C)(C)c1[n-]n(CCCC2CCOCC2)c(=O)c1CCC#N ZINC000447793489 1018477035 /nfs/dbraw/zinc/47/70/35/1018477035.db2.gz GKQURPPJHKENGC-UHFFFAOYSA-N -1 0 319.449 3.549 20 30 DHEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ocnc2C2CC2)s1 ZINC000685174347 1018610685 /nfs/dbraw/zinc/61/06/85/1018610685.db2.gz FBEGZUSAULHRTL-JTQLQIEISA-N -1 0 315.398 3.796 20 30 DHEDRM Cc1cncc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c1 ZINC000676103983 1018664952 /nfs/dbraw/zinc/66/49/52/1018664952.db2.gz OLPDTYJDRJYOQC-GFCCVEGCSA-N -1 0 311.341 3.629 20 30 DHEDRM Cc1ccc(Nc2ccc(N3CCCC3)c(C#N)c2)cc1C(=O)[O-] ZINC001211606523 1018831459 /nfs/dbraw/zinc/83/14/59/1018831459.db2.gz RILNAZQWBIWGCO-UHFFFAOYSA-N -1 0 321.380 3.909 20 30 DHEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Cl)c(F)c1 ZINC000765612665 1019005967 /nfs/dbraw/zinc/00/59/67/1019005967.db2.gz 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O=C(/C=C\c1ccnn1-c1ccccc1)c1ccc(F)cc1[O-] ZINC000790600745 1024333388 /nfs/dbraw/zinc/33/33/88/1024333388.db2.gz MQVUDXHCVNWIER-CLFYSBASSA-N -1 0 308.312 3.613 20 30 DHEDRM CC(C)Cc1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cs1 ZINC000348227812 1024477149 /nfs/dbraw/zinc/47/71/49/1024477149.db2.gz HKJOOORETGYXED-NSHDSACASA-N -1 0 324.409 3.708 20 30 DHEDRM O=C([O-])c1ccc(C(=O)/C=C/c2cncc3ccccc23)s1 ZINC000772797239 1024673823 /nfs/dbraw/zinc/67/38/23/1024673823.db2.gz NAVBFEZVIPZPJW-AATRIKPKSA-N -1 0 309.346 3.891 20 30 DHEDRM CCC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)[O-])cc1 ZINC000760216451 1024738465 /nfs/dbraw/zinc/73/84/65/1024738465.db2.gz AHCJERHZMCNDHX-UHFFFAOYSA-N -1 0 313.313 3.519 20 30 DHEDRM N#Cc1ccc([N-]S(=O)(=O)c2csc3ccccc32)cc1 ZINC000349916397 1024768260 /nfs/dbraw/zinc/76/82/60/1024768260.db2.gz RBMRFRILMWJYMW-UHFFFAOYSA-N -1 0 314.391 3.574 20 30 DHEDRM CC(C)c1cccc(NS(=O)(=O)c2ccccc2CC#N)c1 ZINC000475810312 1024788939 /nfs/dbraw/zinc/78/89/39/1024788939.db2.gz 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O=c1[n-]c(N=NC=CCc2ccc(F)cc2)nc2ccccc12 ZINC000747765558 1027167280 /nfs/dbraw/zinc/16/72/80/1027167280.db2.gz CBPDZTRRYDFKCD-YEYGOYOGSA-N -1 0 308.316 3.586 20 30 DHEDRM O=C([O-])c1ccccc1NN=Cc1csc(-c2ccccc2)n1 ZINC000812445618 1027301390 /nfs/dbraw/zinc/30/13/90/1027301390.db2.gz URWJPNDDBVVGHC-UHFFFAOYSA-N -1 0 323.377 3.954 20 30 DHEDRM CCC[C@@H]1C[C@H]1C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000813058523 1027506411 /nfs/dbraw/zinc/50/64/11/1027506411.db2.gz YZSQGAPGYLZVKS-BPLDGKMQSA-N -1 0 308.381 3.804 20 30 DHEDRM CCc1ccc([C@@H](C#N)NC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000813675943 1027693768 /nfs/dbraw/zinc/69/37/68/1027693768.db2.gz CUBXCOAYOICZPS-OAHLLOKOSA-N -1 0 314.772 3.603 20 30 DHEDRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000048453236 1028086516 /nfs/dbraw/zinc/08/65/16/1028086516.db2.gz AUZJLHVKLRVAIF-NSHDSACASA-N -1 0 301.383 3.687 20 30 DHEDRM CC(C)(C)c1cnc(C=NNc2ccc(C(=O)[O-])cc2)s1 ZINC000814680899 1028150967 /nfs/dbraw/zinc/15/09/67/1028150967.db2.gz 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ZINC000814801194 1028212637 /nfs/dbraw/zinc/21/26/37/1028212637.db2.gz AHDSJLYOGWZQSG-UHFFFAOYSA-N -1 0 308.381 3.833 20 30 DHEDRM CC(N=Nc1cc(F)cc(F)c1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814812969 1028221746 /nfs/dbraw/zinc/22/17/46/1028221746.db2.gz DLHVAFYRUQOXIT-YGRLFVJLSA-N -1 0 310.344 3.890 20 30 DHEDRM C[C@H]1C(=NOCc2ccc(F)cc2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814903304 1028271115 /nfs/dbraw/zinc/27/11/15/1028271115.db2.gz BYEFKXLSMLFMCY-FZMZJTMJSA-N -1 0 307.365 3.855 20 30 DHEDRM CC(C)c1c(Cl)ncnc1N=NC1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000814921924 1028283909 /nfs/dbraw/zinc/28/39/09/1028283909.db2.gz KKEQTSKIKPXNQC-KOLCDFICSA-N -1 0 324.812 3.542 20 30 DHEDRM CC[C@H](NN=Cc1sc2c(cccc2Cl)c1C)C(=O)[O-] ZINC000814936572 1028290815 /nfs/dbraw/zinc/29/08/15/1028290815.db2.gz ACIGUYRTIKYBLF-NSHDSACASA-N -1 0 310.806 3.650 20 30 DHEDRM CC[C@@H](NN=Cc1sc2c(cccc2Cl)c1C)C(=O)[O-] ZINC000814936571 1028291425 /nfs/dbraw/zinc/29/14/25/1028291425.db2.gz ACIGUYRTIKYBLF-LLVKDONJSA-N -1 0 310.806 3.650 20 30 DHEDRM CC[C@@H](C)CON=C(C)CCc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000814939154 1028295256 /nfs/dbraw/zinc/29/52/56/1028295256.db2.gz GGUFNJPVQZDRES-UKRRQHHQSA-N -1 0 321.417 3.910 20 30 DHEDRM CC(C)c1nccnc1N=NC1CC[C@@H](C(=O)[O-])C(C)(C)[C@H]1C ZINC000814916841 1028297562 /nfs/dbraw/zinc/29/75/62/1028297562.db2.gz MLERYUWGWDUKAV-RYUDHWBXSA-N -1 0 318.421 3.525 20 30 DHEDRM COc1cc(F)ccc1N=NC(C)[C@@H](C)CCCCC(=O)[O-] ZINC000814915893 1028297879 /nfs/dbraw/zinc/29/78/79/1028297879.db2.gz LEJWMHALJMXUAG-NSHDSACASA-N -1 0 310.369 3.903 20 30 DHEDRM COc1cc(N=NC2CC[C@@H](CC(=O)[O-])[C@H]2C)ccc1Cl ZINC000814918867 1028299893 /nfs/dbraw/zinc/29/98/93/1028299893.db2.gz CBSGPFAMIUCZJN-ZJUUUORDSA-N -1 0 310.781 3.637 20 30 DHEDRM Cc1cc(C)c(C(=O)[O-])cc1C=NNc1ccc(F)c(F)c1F ZINC000814945237 1028302237 /nfs/dbraw/zinc/30/22/37/1028302237.db2.gz RTUNRZPUYAUJFD-UHFFFAOYSA-N -1 0 322.286 3.865 20 30 DHEDRM Cc1cc2[nH]c(C(=O)Nc3cc(C#N)ccc3[O-])cc2c(C)c1 ZINC000748003391 1028536291 /nfs/dbraw/zinc/53/62/91/1028536291.db2.gz RIBYEWSXBSERII-UHFFFAOYSA-N -1 0 305.337 3.614 20 30 DHEDRM C=CCC(F)(F)C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000815892241 1028648442 /nfs/dbraw/zinc/64/84/42/1028648442.db2.gz KMLGHAFCWXTVOC-HNNXBMFYSA-N -1 0 320.314 3.638 20 30 DHEDRM Cc1c(C(=O)/C=C/c2cc(Cl)c([O-])cc2Cl)cnn1C ZINC000778519974 1028682493 /nfs/dbraw/zinc/68/24/93/1028682493.db2.gz VNWSOCLNPKEYEB-ONEGZZNKSA-N -1 0 311.168 3.637 20 30 DHEDRM CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000076755723 1028707676 /nfs/dbraw/zinc/70/76/76/1028707676.db2.gz FUZWRTIBIKQRMM-LBPRGKRZSA-N -1 0 305.399 3.921 20 30 DHEDRM CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000076766863 1028716864 /nfs/dbraw/zinc/71/68/64/1028716864.db2.gz GTPMWKMYAKREEN-GFCCVEGCSA-N -1 0 309.431 3.647 20 30 DHEDRM COc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccc1C ZINC000041543333 1028748054 /nfs/dbraw/zinc/74/80/54/1028748054.db2.gz ZBLSIPICYSBLDK-ZDUSSCGKSA-N -1 0 306.321 3.635 20 30 DHEDRM C=CC[C@H](CC)NC(=O)N(CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC000567022537 1028821665 /nfs/dbraw/zinc/82/16/65/1028821665.db2.gz VSAZXEKMWMSJLY-HOTGVXAUSA-N -1 0 318.417 3.589 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1CCCC12CC2 ZINC000528912051 1028921335 /nfs/dbraw/zinc/92/13/35/1028921335.db2.gz HSZDIUJDYCUTOQ-GJZGRUSLSA-N -1 0 320.392 3.948 20 30 DHEDRM Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000042233459 1028937157 /nfs/dbraw/zinc/93/71/57/1028937157.db2.gz PWXLCXRBSROXIZ-UHFFFAOYSA-N -1 0 323.801 3.536 20 30 DHEDRM Cc1cccc(CCC(=O)[N-]S(=O)(=O)c2ccccc2C)c1 ZINC000042242363 1028940293 /nfs/dbraw/zinc/94/02/93/1028940293.db2.gz YLTIVQLXHOGLHB-UHFFFAOYSA-N -1 0 317.410 3.581 20 30 DHEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cc1C ZINC000042320831 1028962383 /nfs/dbraw/zinc/96/23/83/1028962383.db2.gz LTJCAEJVGLFXDA-ZHACJKMWSA-N -1 0 315.394 3.609 20 30 DHEDRM O=C(CCC1CCCC1)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000042320506 1028962797 /nfs/dbraw/zinc/96/27/97/1028962797.db2.gz HFGHQOXOOTYKQT-OUKQBFOZSA-N -1 0 307.415 3.914 20 30 DHEDRM CC(C)c1nocc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000529022733 1029027912 /nfs/dbraw/zinc/02/79/12/1029027912.db2.gz VADPPHNQRAHZDI-SNVBAGLBSA-N -1 0 323.274 3.702 20 30 DHEDRM CCc1ccc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)cc1 ZINC000191001617 1029239528 /nfs/dbraw/zinc/23/95/28/1029239528.db2.gz GKFFXUKMQCEASH-HNNXBMFYSA-N -1 0 301.349 3.682 20 30 DHEDRM Cc1ccc(C2(C(=O)Nc3cc(C#N)ccc3[O-])CCC2)cc1 ZINC000819432518 1029557021 /nfs/dbraw/zinc/55/70/21/1029557021.db2.gz AMKHOPIWXXDSBQ-UHFFFAOYSA-N -1 0 306.365 3.633 20 30 DHEDRM N#Cc1c(Br)cccc1Nc1ccc(C(=O)[O-])cc1 ZINC000168369093 1029604283 /nfs/dbraw/zinc/60/42/83/1029604283.db2.gz PLYMTXOIBLCCHJ-UHFFFAOYSA-N -1 0 317.142 3.763 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc3cc[nH]c3n2)n1 ZINC000347354721 1029712142 /nfs/dbraw/zinc/71/21/42/1029712142.db2.gz PTDBOJWGIPCNDO-LLVKDONJSA-N -1 0 310.382 3.633 20 30 DHEDRM C[C@]1(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCS1 ZINC000121017682 1030239654 /nfs/dbraw/zinc/23/96/54/1030239654.db2.gz RMAJCTMVPMSBBW-BKNIFWKGSA-N -1 0 314.794 3.658 20 30 DHEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cc2cc(F)ccc2o1 ZINC000358011480 1030277811 /nfs/dbraw/zinc/27/78/11/1030277811.db2.gz RSYQLBNOMAKUJI-HYXAFXHYSA-N -1 0 308.268 3.707 20 30 DHEDRM CC[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1cccc(C#N)c1[O-] ZINC000925570896 1030409471 /nfs/dbraw/zinc/40/94/71/1030409471.db2.gz YSQMPSDLNJTUHI-SFHVURJKSA-N -1 0 324.428 3.816 20 30 DHEDRM COc1ccc2c(c1)C(=O)/C(=C/c1cc(C(=O)[O-])c(C)cc1C)C2 ZINC000794940899 1030426487 /nfs/dbraw/zinc/42/64/87/1030426487.db2.gz FDSNRRLBIWJYDC-OVCLIPMQSA-N -1 0 322.360 3.833 20 30 DHEDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C1/CCc2ccc(O)cc2C1=O ZINC000794960045 1030454691 /nfs/dbraw/zinc/45/46/91/1030454691.db2.gz JFPUNXBPLMPBAV-ZSOIEALJSA-N -1 0 322.360 3.920 20 30 DHEDRM N#CC(=C([O-])c1ccco1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066545012 1030515120 /nfs/dbraw/zinc/51/51/20/1030515120.db2.gz GIGYRHHFPUMHEP-ZDUSSCGKSA-N -1 0 319.345 3.765 20 30 DHEDRM CC(=Cc1ccc2c(c1)CCCC2)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000291986555 1030742286 /nfs/dbraw/zinc/74/22/86/1030742286.db2.gz VUABFIHEOCWLND-XFXZXTDPSA-N -1 0 305.381 3.802 20 30 DHEDRM Cc1cc(F)ncc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000870225368 1030946417 /nfs/dbraw/zinc/94/64/17/1030946417.db2.gz QAVDCFOVVWRLGG-SNVBAGLBSA-N -1 0 303.362 3.599 20 30 DHEDRM N#Cc1csc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)c1 ZINC000359709047 1031107755 /nfs/dbraw/zinc/10/77/55/1031107755.db2.gz AVRBWRFJTKGPNL-IZZDOVSWSA-N -1 0 310.334 3.776 20 30 DHEDRM C=C[C@H](C)ON=C(C)c1cc(Br)cc(F)c1[O-] ZINC000844621013 1031253172 /nfs/dbraw/zinc/25/31/72/1031253172.db2.gz BWMZLTHIWAFAPL-ZETCQYMHSA-N -1 0 302.143 3.609 20 30 DHEDRM C=C[C@@H](C)ON=C(C)c1cc(Br)cc(F)c1[O-] ZINC000844621011 1031254650 /nfs/dbraw/zinc/25/46/50/1031254650.db2.gz BWMZLTHIWAFAPL-SSDOTTSWSA-N -1 0 302.143 3.609 20 30 DHEDRM Cc1c(N=NC2CCCC[C@H]2[C@@H]2CCOC2)cccc1C(=O)[O-] ZINC000844622701 1031256595 /nfs/dbraw/zinc/25/65/95/1031256595.db2.gz 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N#CC(=C([O-])c1ocnc1C1CC1)c1nc2ccccc2s1 ZINC000561833180 332504403 /nfs/dbraw/zinc/50/44/03/332504403.db2.gz UKKHCNHKZDTEMD-SNVBAGLBSA-N -1 0 309.350 3.652 20 30 DHEDRM CCc1nc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c(C)o1 ZINC000354199678 333491294 /nfs/dbraw/zinc/49/12/94/333491294.db2.gz GXAVEGHBIQPANB-SNVBAGLBSA-N -1 0 317.414 3.790 20 30 DHEDRM CCCn1nc(C)c(/C=C2\Cc3c(ccc([O-])c3F)C2=O)c1C ZINC000287359238 334157534 /nfs/dbraw/zinc/15/75/34/334157534.db2.gz YEDMKBISRYRSAC-XYOKQWHBSA-N -1 0 314.360 3.577 20 30 DHEDRM C=CCCC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000534941258 334349668 /nfs/dbraw/zinc/34/96/68/334349668.db2.gz SAOMKASFFOUZQW-UHFFFAOYSA-N -1 0 304.571 3.713 20 30 DHEDRM N#Cc1ccccc1/C=C/c1cc(C(=O)[O-])c2ccccc2n1 ZINC000535146305 334372467 /nfs/dbraw/zinc/37/24/67/334372467.db2.gz DFZJISWOWDVFOD-MDZDMXLPSA-N -1 0 300.317 3.975 20 30 DHEDRM CSc1[n-]c(=O)c(C(=O)NC(C)(C)CC(C)(C)C)cc1C#N ZINC000330729486 334810477 /nfs/dbraw/zinc/81/04/77/334810477.db2.gz JLCOIDFRIWELCS-UHFFFAOYSA-N -1 0 321.446 3.900 20 30 DHEDRM CC1(CNC(=O)c2c([O-])cc(Cl)cc2Cl)CCOCC1 ZINC000331222472 334847024 /nfs/dbraw/zinc/84/70/24/334847024.db2.gz BMBLQDKJMLYCHH-UHFFFAOYSA-N -1 0 318.200 3.820 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2nsc3ccc(C)cc32)n1 ZINC000344639663 335261341 /nfs/dbraw/zinc/26/13/41/335261341.db2.gz RLTWIJKLAYOQAY-NSHDSACASA-N -1 0 313.407 3.860 20 30 DHEDRM CCc1nc(C)c(C([O-])=C(C#N)c2nccc3ccccc32)o1 ZINC000346246779 335394096 /nfs/dbraw/zinc/39/40/96/335394096.db2.gz UGULPRXANFRINF-AWEZNQCLSA-N -1 0 305.337 3.584 20 30 DHEDRM CC[C@@H](C)n1nc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1C ZINC000350916514 335925863 /nfs/dbraw/zinc/92/58/63/335925863.db2.gz DOOGGHSHHJXRBT-DGCLKSJQSA-N -1 0 322.368 3.794 20 30 DHEDRM CC(C)COc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1 ZINC000520724230 336044142 /nfs/dbraw/zinc/04/41/42/336044142.db2.gz GXZTVZBJVUVEOQ-UITAMQMPSA-N -1 0 322.364 3.857 20 30 DHEDRM N#Cc1cccc(S(=O)(=O)[N-]c2csc3ccccc23)c1 ZINC000351763386 336065868 /nfs/dbraw/zinc/06/58/68/336065868.db2.gz PANNKQJIUDULRQ-UHFFFAOYSA-N -1 0 314.391 3.574 20 30 DHEDRM CCc1nc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c(C)o1 ZINC000353744477 336437508 /nfs/dbraw/zinc/43/75/08/336437508.db2.gz FWVMVINTFYPLCW-SNVBAGLBSA-N -1 0 303.387 3.615 20 30 DHEDRM CC(C)c1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)n1 ZINC000354489777 336472712 /nfs/dbraw/zinc/47/27/12/336472712.db2.gz GPIPXMKWGVAOIA-GFCCVEGCSA-N -1 0 305.337 3.836 20 30 DHEDRM N#CC(=C([O-])c1cc(C#N)cs1)c1nccc2ccccc21 ZINC000361543603 336761752 /nfs/dbraw/zinc/76/17/52/336761752.db2.gz OXOCRUHUBSQFHO-AWEZNQCLSA-N -1 0 303.346 3.658 20 30 DHEDRM CCSc1cccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)c1 ZINC000193609085 337078529 /nfs/dbraw/zinc/07/85/29/337078529.db2.gz UENVTHOYCCOOJV-DHZHZOJOSA-N -1 0 311.410 3.623 20 30 DHEDRM CCc1cc(C)c(C([O-])=C(C#N)c2cnc3ccccc3n2)o1 ZINC000190931911 337291468 /nfs/dbraw/zinc/29/14/68/337291468.db2.gz SJRQLDCZNDOYPK-ZDUSSCGKSA-N -1 0 305.337 3.584 20 30 DHEDRM CC(C)c1nc(C([O-])=C(C#N)c2cnc3ccccc3n2)cs1 ZINC000190977469 337291899 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CC(=Cc1ccc(C(C)(C)C)cc1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435341270 338237664 /nfs/dbraw/zinc/23/76/64/338237664.db2.gz VIFLNXQOOPTEQW-ZRDIBKRKSA-N -1 0 307.397 3.808 20 30 DHEDRM CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1CC ZINC000435503267 338241343 /nfs/dbraw/zinc/24/13/43/338241343.db2.gz CDDRALGGFAUUQA-UHFFFAOYSA-N -1 0 320.439 3.545 20 30 DHEDRM C=CCN(CCc1ccco1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000437001137 338297271 /nfs/dbraw/zinc/29/72/71/338297271.db2.gz NXIFFFMAWIZPDU-UHFFFAOYSA-N -1 0 323.751 3.649 20 30 DHEDRM Cc1nc2c(cccc2C([O-])=C(C#N)c2nc3ccccc3[nH]2)o1 ZINC000439025591 338358849 /nfs/dbraw/zinc/35/88/49/338358849.db2.gz XNEBVTZTJXHDAG-LBPRGKRZSA-N -1 0 316.320 3.503 20 30 DHEDRM N#Cc1ccc(/C=C\c2ccc3cc(C(=O)[O-])ccc3n2)cc1 ZINC000440610622 338392271 /nfs/dbraw/zinc/39/22/71/338392271.db2.gz HPLFAVOTBVJAMK-YVMONPNESA-N -1 0 300.317 3.975 20 30 DHEDRM CCc1ccccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160761754 338564031 /nfs/dbraw/zinc/56/40/31/338564031.db2.gz OPUWQRDJERGGPD-UHFFFAOYSA-N -1 0 320.801 3.575 20 30 DHEDRM C=CCC1(NC(=O)c2cc(F)c(F)c([O-])c2F)CCCCC1 ZINC000456376062 338928245 /nfs/dbraw/zinc/92/82/45/338928245.db2.gz YVTYCMOTZZPETG-UHFFFAOYSA-N -1 0 313.319 3.818 20 30 DHEDRM N#Cc1ccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)s1 ZINC000463106768 339106016 /nfs/dbraw/zinc/10/60/16/339106016.db2.gz BDHVEWGMPKMTBR-UHFFFAOYSA-N -1 0 313.165 3.884 20 30 DHEDRM C=CCn1cccc1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000488782260 339793505 /nfs/dbraw/zinc/79/35/05/339793505.db2.gz KTDGNCWYAFMKEH-UHFFFAOYSA-N -1 0 311.168 3.939 20 30 DHEDRM C=CCC[C@@H](N=c1nc([C@@H](C)OC)[n-]s1)c1ccccc1 ZINC000509553709 340273341 /nfs/dbraw/zinc/27/33/41/340273341.db2.gz OEAMRFHFKKEQSC-TZMCWYRMSA-N -1 0 303.431 3.787 20 30 DHEDRM CCCn1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)c1C ZINC000177589315 340441755 /nfs/dbraw/zinc/44/17/55/340441755.db2.gz KBJJQTZKACEKBB-CYBMUJFWSA-N -1 0 322.368 3.541 20 30 DHEDRM Cc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)oc1C ZINC000128595639 340899518 /nfs/dbraw/zinc/89/95/18/340899518.db2.gz NOSHTEGUCBXTHM-NSHDSACASA-N -1 0 308.259 3.800 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2ocnc2C2CC2)n1 ZINC000565684254 341534943 /nfs/dbraw/zinc/53/49/43/341534943.db2.gz OAQUVZJFMGWJDS-SNVBAGLBSA-N -1 0 301.371 3.622 20 30 DHEDRM CSc1cc(C([O-])=C(C#N)c2nc(C)cs2)ccc1F ZINC000155508974 341608465 /nfs/dbraw/zinc/60/84/65/341608465.db2.gz LCRMJYVQMCGZOL-SNVBAGLBSA-N -1 0 306.387 3.803 20 30 DHEDRM C=CCCC[C@H](C)NC(=O)N(CC(=O)[O-])[C@@H](C)c1ccccc1 ZINC000578011724 341970173 /nfs/dbraw/zinc/97/01/73/341970173.db2.gz QPCASIYUCIPDRA-GJZGRUSLSA-N -1 0 318.417 3.589 20 30 DHEDRM Cc1sc(NC(=O)c2cccc(NC(=O)[O-])c2)c(C#N)c1C ZINC000738997869 599894501 /nfs/dbraw/zinc/89/45/01/599894501.db2.gz XTWKUOSNJGZTFX-UHFFFAOYSA-N -1 0 315.354 3.579 20 30 DHEDRM CCCCCCCC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000736984401 599974406 /nfs/dbraw/zinc/97/44/06/599974406.db2.gz ZTODYHGLOBKWEU-OAHLLOKOSA-N -1 0 313.344 3.567 20 30 DHEDRM O=C([O-])[C@H](Cc1ccccc1)/N=C\c1c(O)ccc2ccccc21 ZINC000105343696 600153158 /nfs/dbraw/zinc/15/31/58/600153158.db2.gz HTXDCKPVAKOCMY-PKIWBCANSA-N -1 0 319.360 3.660 20 30 DHEDRM C=CCN(CC1CCCCC1)C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736108092 600449600 /nfs/dbraw/zinc/44/96/00/600449600.db2.gz JQNIBFIBTHUSBE-UHFFFAOYSA-N -1 0 316.401 3.985 20 30 DHEDRM CCOc1ccc(Cl)cc1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000737202435 600580514 /nfs/dbraw/zinc/58/05/14/600580514.db2.gz DWJGVEIDGKAJSL-XQRVVYSFSA-N -1 0 320.728 3.926 20 30 DHEDRM COc1cccc(O)c1C=Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000738107352 600581061 /nfs/dbraw/zinc/58/10/61/600581061.db2.gz YNHXPDFOWOJLDQ-UHFFFAOYSA-N -1 0 305.717 3.503 20 30 DHEDRM Cc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1Cl ZINC000738627679 600590583 /nfs/dbraw/zinc/59/05/83/600590583.db2.gz IZOLYXAXUKTOOY-OAHLLOKOSA-N -1 0 300.745 3.758 20 30 DHEDRM C=CCCCCCN(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736097646 600624354 /nfs/dbraw/zinc/62/43/54/600624354.db2.gz ORDVPBALDWTUTD-UHFFFAOYSA-N -1 0 308.353 3.734 20 30 DHEDRM N#Cc1ccc([C@H](Sc2nc3ccccc3o2)C(=O)[O-])cc1 ZINC000739116861 600936628 /nfs/dbraw/zinc/93/66/28/600936628.db2.gz FFTPOFLRZSKZFX-AWEZNQCLSA-N -1 0 310.334 3.617 20 30 DHEDRM N#Cc1cccc([C@@H](C(=O)[O-])N2CCC[C@@H]2c2cccs2)c1 ZINC000833074163 601309831 /nfs/dbraw/zinc/30/98/31/601309831.db2.gz QGMCPOHUBUZISK-ZBFHGGJFSA-N -1 0 312.394 3.583 20 30 DHEDRM C[C@H](CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)CC(C)(C)C ZINC000827391926 601349924 /nfs/dbraw/zinc/34/99/24/601349924.db2.gz OGXQQOMRHQKTAK-MLGOLLRUSA-N -1 0 317.385 3.690 20 30 DHEDRM O=C([O-])c1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c[nH]1 ZINC000833298152 601791455 /nfs/dbraw/zinc/79/14/55/601791455.db2.gz PGVDSICGVQNJDC-DAFODLJHSA-N -1 0 310.136 3.916 20 30 DHEDRM O=C([O-])c1cc(/C=C/C(=O)c2c[nH]c3cc(Cl)ccc23)c[nH]1 ZINC000833298302 601793430 /nfs/dbraw/zinc/79/34/30/601793430.db2.gz RRNPVHRNJLJFPL-DAFODLJHSA-N -1 0 314.728 3.744 20 30 DHEDRM N#Cc1ccc(OCCSCc2ccc(C(=O)[O-])s2)cc1 ZINC000833071421 601846506 /nfs/dbraw/zinc/84/65/06/601846506.db2.gz JNPHFHCDDFEKAW-UHFFFAOYSA-N -1 0 319.407 3.630 20 30 DHEDRM C[C@H](Oc1ccc(/C=C2\CCc3ccccc3C2=O)cc1)C(=O)[O-] ZINC000794689309 602104848 /nfs/dbraw/zinc/10/48/48/602104848.db2.gz AJCFNVYVFKQJCB-HKJJFUAXSA-N -1 0 322.360 3.751 20 30 DHEDRM Cc1ccc2c(c1)C/C(=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1)C2=O ZINC000794708155 602109619 /nfs/dbraw/zinc/10/96/19/602109619.db2.gz PZZHSVUPMASKIZ-RKPNYOAGSA-N -1 0 322.360 3.669 20 30 DHEDRM Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(O[C@@H](C)C(=O)[O-])cc1)C2 ZINC000794706659 602110668 /nfs/dbraw/zinc/11/06/68/602110668.db2.gz HANRJVLPVCWTJA-RKPNYOAGSA-N -1 0 322.360 3.669 20 30 DHEDRM C[C@@H](Oc1ccc(/C=C2\CCCC(C)(C)C2=O)cc1)C(=O)[O-] ZINC000794698686 602111770 /nfs/dbraw/zinc/11/17/70/602111770.db2.gz BAIISRDVQFZGBK-SLQMCABGSA-N -1 0 302.370 3.701 20 30 DHEDRM C=CCCCC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000825670998 602261364 /nfs/dbraw/zinc/26/13/64/602261364.db2.gz AEZRLGOGJNEIAN-UHFFFAOYSA-N -1 0 313.353 3.598 20 30 DHEDRM C#Cc1cccc(N(C(=O)c2cccc(NC(=O)[O-])c2)C(C)C)c1 ZINC000736090753 602272346 /nfs/dbraw/zinc/27/23/46/602272346.db2.gz JLKZEIWVEJMIOQ-UHFFFAOYSA-N -1 0 322.364 3.813 20 30 DHEDRM N#Cc1ccccc1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000740323181 603200541 /nfs/dbraw/zinc/20/05/41/603200541.db2.gz JZUAIVOEBQNIOU-UHFFFAOYSA-N -1 0 315.716 3.554 20 30 DHEDRM CC(C)Oc1cccc(OCc2cccc(C(=O)[O-])c2C#N)c1 ZINC000833507581 604550989 /nfs/dbraw/zinc/55/09/89/604550989.db2.gz VZBIHPCAXJTHNM-UHFFFAOYSA-N -1 0 311.337 3.623 20 30 DHEDRM C=CCN(C(=O)Nc1cccc(SCCC(=O)[O-])c1)C(C)C ZINC000833375008 604601441 /nfs/dbraw/zinc/60/14/41/604601441.db2.gz DLLPFTNWRDZDCS-UHFFFAOYSA-N -1 0 322.430 3.682 20 30 DHEDRM CN(Cc1cc2ccccc2o1)Cc1cccc(C(=O)[O-])c1C#N ZINC000833694063 604610384 /nfs/dbraw/zinc/61/03/84/604610384.db2.gz HZZPCTITABHAJF-UHFFFAOYSA-N -1 0 320.348 3.635 20 30 DHEDRM C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000825967701 604627197 /nfs/dbraw/zinc/62/71/97/604627197.db2.gz YZCMSJUJLZUFJG-XFVCYKSVSA-N -1 0 321.332 3.572 20 30 DHEDRM CC(C)(C#N)c1ccccc1COC(=O)c1ccccc1C(=O)[O-] ZINC000826081405 604689381 /nfs/dbraw/zinc/68/93/81/604689381.db2.gz RQTWBOLFOZIVTJ-UHFFFAOYSA-N -1 0 323.348 3.543 20 30 DHEDRM C=CCN(Cc1ccccc1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000540774090 604694272 /nfs/dbraw/zinc/69/42/72/604694272.db2.gz GBNFNQMBSJAQIK-UHFFFAOYSA-N -1 0 323.392 3.532 20 30 DHEDRM O=C([O-])c1ccc(/C=C2/CCOc3cc4c(cc3C2=O)CCC4)o1 ZINC000833311670 604766337 /nfs/dbraw/zinc/76/63/37/604766337.db2.gz ACMJMXUDBLHWEK-JYRVWZFOSA-N -1 0 324.332 3.515 20 30 DHEDRM C=CCN(CCc1ccccc1)c1nc(Cl)c(C(=O)[O-])s1 ZINC000833374250 604825414 /nfs/dbraw/zinc/82/54/14/604825414.db2.gz DFAMACIWSKSSOI-UHFFFAOYSA-N -1 0 322.817 3.730 20 30 DHEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2cc(Cl)ccc2C#N)C1 ZINC000134982954 604873421 /nfs/dbraw/zinc/87/34/21/604873421.db2.gz VLRFTHUUXFUWQS-LBPRGKRZSA-N -1 0 306.793 3.539 20 30 DHEDRM CN(c1ccc2ccccc2c1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830888115 604934643 /nfs/dbraw/zinc/93/46/43/604934643.db2.gz HUBFTHONNVOFJH-IBGZPJMESA-N -1 0 316.360 3.974 20 30 DHEDRM C=CCCC[C@@H](C)NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000833373766 605057189 /nfs/dbraw/zinc/05/71/89/605057189.db2.gz BYQHAJJOTRNYTB-GFCCVEGCSA-N -1 0 305.378 3.667 20 30 DHEDRM C=CCCC[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000398029585 605073726 /nfs/dbraw/zinc/07/37/26/605073726.db2.gz IYAAVHMUBIWZEA-JTQLQIEISA-N -1 0 310.781 3.905 20 30 DHEDRM O=C([O-])c1ccccc1NN=Cc1cccc(-c2ccccn2)c1 ZINC000747754761 605094670 /nfs/dbraw/zinc/09/46/70/605094670.db2.gz CQEKCMXHZPTZJP-UHFFFAOYSA-N -1 0 317.348 3.893 20 30 DHEDRM CCN(Cc1ccccc1NCc1cc(C#N)cs1)C(=O)[O-] ZINC000827187034 605245746 /nfs/dbraw/zinc/24/57/46/605245746.db2.gz NDUPQFBQWQHOIG-UHFFFAOYSA-N -1 0 315.398 3.732 20 30 DHEDRM N#CCCCOc1cccc(C=NNc2cccc(C(=O)[O-])c2)c1 ZINC000726738275 605592067 /nfs/dbraw/zinc/59/20/67/605592067.db2.gz SSQIUVAAWHTDPH-UHFFFAOYSA-N -1 0 323.352 3.513 20 30 DHEDRM CCc1nc(C)c(C(C)=NNc2cccc(C(=O)[O-])c2)s1 ZINC000735224119 605594750 /nfs/dbraw/zinc/59/47/50/605594750.db2.gz MVXNNNHBOKTBNS-UHFFFAOYSA-N -1 0 303.387 3.548 20 30 DHEDRM C#CCCCCCC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833361827 605625511 /nfs/dbraw/zinc/62/55/11/605625511.db2.gz NTTZAVRVIFMVRX-KRWDZBQOSA-N -1 0 315.413 3.538 20 30 DHEDRM C=CCCN(CCC1(C(=O)[O-])CCC1)OCc1ccccc1 ZINC001602721883 971383846 /nfs/dbraw/zinc/38/38/46/971383846.db2.gz CFQHPDIMTITLRP-UHFFFAOYSA-N -1 0 303.402 3.641 20 30 DHEDRM C=CCOc1ccc(/C=C/c2ncc(C(=O)[O-])s2)cc1OC ZINC000355366230 971529689 /nfs/dbraw/zinc/52/96/89/971529689.db2.gz HFYTUEMUBGWGBJ-FNORWQNLSA-N -1 0 317.366 3.585 20 30 DHEDRM C=C[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001588450332 958390434 /nfs/dbraw/zinc/39/04/34/958390434.db2.gz FIGRNKPRFFHTQU-NVXWUHKLSA-N -1 0 321.376 3.561 20 30 DHEDRM C=CC[C@@H](CC)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001588453313 958434694 /nfs/dbraw/zinc/43/46/94/958434694.db2.gz VBJVTPKZDRRIJJ-MRVPVSSYSA-N -1 0 314.744 3.654 20 30 DHEDRM C=CCC1(CNC(=O)C2(C(=O)[O-])CCCCCC2)CCCC1 ZINC001588457583 958452518 /nfs/dbraw/zinc/45/25/18/958452518.db2.gz GKHYXVYWBOYIDC-UHFFFAOYSA-N -1 0 307.434 3.664 20 30 DHEDRM C=CCC1(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCCC1 ZINC001588458305 958460257 /nfs/dbraw/zinc/46/02/57/958460257.db2.gz ROZXFHLLWUHOAK-HZPDHXFCSA-N -1 0 313.397 3.552 20 30 DHEDRM C=CCC1(C(=O)NCc2ccccc2C(=O)[O-])CCCCC1 ZINC001588458377 958460571 /nfs/dbraw/zinc/46/05/71/958460571.db2.gz TVACOIMZSTYRTJ-UHFFFAOYSA-N -1 0 301.386 3.528 20 30 DHEDRM C=C(C)CCC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001123277920 960432940 /nfs/dbraw/zinc/43/29/40/960432940.db2.gz PNGXJCSVSDNNFT-UHFFFAOYSA-N -1 0 303.383 3.572 20 30 DHEDRM CCCCCCC[C@@H](C)CNC(=O)c1ccc(C(=O)[O-])cn1 ZINC001573840334 961062910 /nfs/dbraw/zinc/06/29/10/961062910.db2.gz GKRNSHGVTBYGOT-CYBMUJFWSA-N -1 0 306.406 3.506 20 30 DHEDRM CC(C)(CCNc1cc(C(F)(F)F)c(F)cc1C#N)C(=O)[O-] ZINC001588778353 961288644 /nfs/dbraw/zinc/28/86/44/961288644.db2.gz MUIISBLPTZWPCP-UHFFFAOYSA-N -1 0 318.270 3.629 20 30 DHEDRM C#Cc1ccc(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC001573313136 962726275 /nfs/dbraw/zinc/72/62/75/962726275.db2.gz BYJPMRPONZLCEO-UHFFFAOYSA-N -1 0 322.364 3.674 20 30 DHEDRM C=C(C)c1cccc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1 ZINC001573326006 962801817 /nfs/dbraw/zinc/80/18/17/962801817.db2.gz QKEHZVRPEXNEMK-PXNSSMCTSA-N -1 0 321.376 3.917 20 30 DHEDRM C=C(C)c1cccc(NC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c1 ZINC001573326575 962805568 /nfs/dbraw/zinc/80/55/68/962805568.db2.gz YXCOZFRAUWKNDN-QAPCUYQASA-N -1 0 314.385 3.581 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(C2SCCS2)c1 ZINC001573336769 962860323 /nfs/dbraw/zinc/86/03/23/962860323.db2.gz GKPDPDQDQVLSCI-UHFFFAOYSA-N -1 0 323.439 3.525 20 30 DHEDRM C=C1CCC(CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC001573343303 962902436 /nfs/dbraw/zinc/90/24/36/962902436.db2.gz CMCBZSSBHIHAAE-UHFFFAOYSA-N -1 0 316.401 3.572 20 30 DHEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001573353199 962997560 /nfs/dbraw/zinc/99/75/60/962997560.db2.gz RKCIMSFPGOTWKV-CZUORRHYSA-N -1 0 316.401 3.950 20 30 DHEDRM C=CC[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)[O-] ZINC001573353502 963001925 /nfs/dbraw/zinc/00/19/25/963001925.db2.gz XGUZQHHZYZKEEG-OAHLLOKOSA-N -1 0 310.378 3.742 20 30 DHEDRM C=CCCc1ccccc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001573360465 963037933 /nfs/dbraw/zinc/03/79/33/963037933.db2.gz PKYDEOKKVCXJGI-BENRWUELSA-N -1 0 311.337 3.748 20 30 DHEDRM C=CCCC[C@H](NC(=O)c1cc2sccc2s1)C(=O)[O-] ZINC001573365187 963052794 /nfs/dbraw/zinc/05/27/94/963052794.db2.gz DKZPYMPQXYOTLT-VIFPVBQESA-N -1 0 309.412 3.502 20 30 DHEDRM C=CCN(Cc1ccccc1F)[C@@H](C(=O)[O-])c1ccccc1F ZINC001573367865 963070406 /nfs/dbraw/zinc/07/04/06/963070406.db2.gz CSGOXGFJKLGEEU-QGZVFWFLSA-N -1 0 317.335 3.779 20 30 DHEDRM C#CCCCCCC(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001588440653 964042096 /nfs/dbraw/zinc/04/20/96/964042096.db2.gz HIJVMPJXGRAWFA-UHFFFAOYSA-N -1 0 311.740 3.700 20 30 DHEDRM C#CCCCCCC(=O)OCc1c(Cl)cccc1C(=O)[O-] ZINC001588441853 964054400 /nfs/dbraw/zinc/05/44/00/964054400.db2.gz LAUDOOLMPNFIKE-UHFFFAOYSA-N -1 0 308.761 3.665 20 30 DHEDRM Cc1cc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)cnc1C#N ZINC001210203557 1013669957 /nfs/dbraw/zinc/66/99/57/1013669957.db2.gz GNLSXLYIKGQLTF-UHFFFAOYSA-N -1 0 313.119 3.552 20 30 DHEDRM N#CC(=C([O-])c1coc(C2CCC2)n1)c1nccc2ccccc21 ZINC000683691329 1013861285 /nfs/dbraw/zinc/86/12/85/1013861285.db2.gz DCWIDNBIIDPPSB-OAHLLOKOSA-N -1 0 317.348 3.980 20 30 DHEDRM CCC(=NN[C@H](C)CC#N)c1cc(Cl)cc(Cl)c1[O-] ZINC000771891510 1023485429 /nfs/dbraw/zinc/48/54/29/1023485429.db2.gz ZSHHZXTZYXIZLB-MRVPVSSYSA-N -1 0 300.189 3.705 20 30 DHEDRM N#Cc1c(C(F)F)cccc1N1CCC(CCC(=O)[O-])CC1 ZINC000595967045 974996766 /nfs/dbraw/zinc/99/67/66/974996766.db2.gz ATTDBMAEJOZAGB-UHFFFAOYSA-N -1 0 308.328 3.577 20 30 DHEDRM CC(C)c1cccc2c1OC/C(=C\c1ccc(C(=O)[O-])o1)C2=O ZINC001591993987 976626836 /nfs/dbraw/zinc/62/68/36/976626836.db2.gz FEZQLWVOZCNQSO-DHZHZOJOSA-N -1 0 312.321 3.760 20 30 DHEDRM CC(C)c1ncc(C=NNc2cccc(C(=O)[O-])c2F)s1 ZINC001592034171 976750257 /nfs/dbraw/zinc/75/02/57/976750257.db2.gz UUWIJGKMSQVAEX-UHFFFAOYSA-N -1 0 307.350 3.550 20 30 DHEDRM O=C([O-])c1csc(/C=C2/Cc3c(cccc3Cl)C2=O)c1 ZINC000782201729 1014354776 /nfs/dbraw/zinc/35/47/76/1014354776.db2.gz XWIDDOMNQPWZJV-YWEYNIOJSA-N -1 0 304.754 3.922 20 30 DHEDRM C[C@@H](CC(C)(C)C#N)OC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001592439330 978090046 /nfs/dbraw/zinc/09/00/46/978090046.db2.gz FUJOMBOVIPIQKB-VIFPVBQESA-N -1 0 309.749 3.523 20 30 DHEDRM CC(C)C(CCc1ccccc1)N=Nc1ccc(C(=O)[O-])cn1 ZINC000763371118 978722602 /nfs/dbraw/zinc/72/26/02/978722602.db2.gz ZSZRPBABLUUEHI-UHFFFAOYSA-N -1 0 311.385 3.837 20 30 DHEDRM CCC(N=Nc1ccc(C(=O)[O-])cn1)c1c(F)cccc1Cl ZINC000763372113 978722610 /nfs/dbraw/zinc/72/26/10/978722610.db2.gz STDOWNKEJYGYAL-UHFFFAOYSA-N -1 0 321.739 3.799 20 30 DHEDRM COc1ccc2c(c1)CC/C(=C\c1cccc(C(=O)[O-])c1)C2=O ZINC000765823666 978724043 /nfs/dbraw/zinc/72/40/43/978724043.db2.gz GWHKLZJCHLTCDY-NTEUORMPSA-N -1 0 308.333 3.606 20 30 DHEDRM O=C([O-])c1cccc(/C=C\C(=O)c2cccc(OC(F)F)c2)c1 ZINC000774118429 978745952 /nfs/dbraw/zinc/74/59/52/978745952.db2.gz IXYOJHONRSUOHQ-FPLPWBNLSA-N -1 0 318.275 3.882 20 30 DHEDRM CC(=NNc1ccccc1C(=O)[O-])c1cnn(C2CCCC2)c1 ZINC000799873531 978842632 /nfs/dbraw/zinc/84/26/32/978842632.db2.gz RYQGOOQMAIVINI-UHFFFAOYSA-N -1 0 312.373 3.533 20 30 DHEDRM C[C@@H]1C(N=Nc2ccc(C#N)c(Cl)c2)CC[C@H]1CC(=O)[O-] ZINC000814901188 978897307 /nfs/dbraw/zinc/89/73/07/978897307.db2.gz CGEBDRVTDWMHRJ-UWVGGRQHSA-N -1 0 305.765 3.500 20 30 DHEDRM C[C@@H](Cc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC001592877021 979742749 /nfs/dbraw/zinc/74/27/49/979742749.db2.gz GVUDXLKCNQJYFO-KBPBESRZSA-N -1 0 308.381 3.995 20 30 DHEDRM C[C@H](Cc1ccc(NCc2cccc(C#N)c2F)cc1)C(=O)[O-] ZINC001592877381 979744955 /nfs/dbraw/zinc/74/49/55/979744955.db2.gz LCZKCQJPCTZNSZ-GFCCVEGCSA-N -1 0 312.344 3.573 20 30 DHEDRM C=C1CCC(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)CC1 ZINC000905044561 981087014 /nfs/dbraw/zinc/08/70/14/981087014.db2.gz TUFHFPDGPYHVBS-UHFFFAOYSA-N -1 0 305.399 3.792 20 30 DHEDRM C=CCCCN(CC)C(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000908219999 981282511 /nfs/dbraw/zinc/28/25/11/981282511.db2.gz DFVGVYINLJKOAT-CYBMUJFWSA-N -1 0 321.442 3.680 20 30 DHEDRM C=C[C@](C)(CC)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000909226878 981437885 /nfs/dbraw/zinc/43/78/85/981437885.db2.gz YUTUERCHZOTSQW-MRXNPFEDSA-N -1 0 307.415 3.545 20 30 DHEDRM CCCCCCCCC(=O)OCc1nc(C)c(C(=O)[O-])s1 ZINC001595704820 982280005 /nfs/dbraw/zinc/28/00/05/982280005.db2.gz IBKFVOLIPNERIY-UHFFFAOYSA-N -1 0 313.419 3.944 20 30 DHEDRM CCCCCCCC[C@@H](C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001595705165 982282716 /nfs/dbraw/zinc/28/27/16/982282716.db2.gz QPRHJYLVXBLTEC-LJIZCISZSA-N -1 0 309.450 3.599 20 30 DHEDRM C#Cc1cccc(N(C/C=C(/C)C(=O)[O-])Cc2ccccc2)c1 ZINC001588523657 983572787 /nfs/dbraw/zinc/57/27/87/983572787.db2.gz RCOANJCWQIDVKD-VBKFSLOCSA-N -1 0 305.377 3.705 20 30 DHEDRM C=C(C)C[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001588536862 983596198 /nfs/dbraw/zinc/59/61/98/983596198.db2.gz VANCIAJJVYGXPA-VIFPVBQESA-N -1 0 315.291 3.944 20 30 DHEDRM C=C(C)C[C@@H](NC(=O)[C@H](CCC)c1cccc(Cl)c1)C(=O)[O-] ZINC001588537402 983599467 /nfs/dbraw/zinc/59/94/67/983599467.db2.gz OSPZBEOSNXFJMA-HUUCEWRRSA-N -1 0 323.820 3.759 20 30 DHEDRM C=C(C)C[C@@H](NC(=O)C=C1CCC(C(C)(C)C)CC1)C(=O)[O-] ZINC001588540919 983606007 /nfs/dbraw/zinc/60/60/07/983606007.db2.gz OUKFKZVWLKTEKY-YSSOQSIOSA-N -1 0 307.434 3.685 20 30 DHEDRM C=C(C)C[C@@H](Nc1nc2cc(Cl)cc(Cl)c2o1)C(=O)[O-] ZINC001588554347 983630155 /nfs/dbraw/zinc/63/01/55/983630155.db2.gz DRTDBALAZXPHGB-SNVBAGLBSA-N -1 0 315.156 3.966 20 30 DHEDRM C=C(C)CCSCC(=O)c1c[nH]c2ccc(C(=O)[O-])cc21 ZINC001588561635 983642401 /nfs/dbraw/zinc/64/24/01/983642401.db2.gz RGKGTCIGQGVQHT-UHFFFAOYSA-N -1 0 303.383 3.748 20 30 DHEDRM C=C(C)c1cccc(NC(=O)NCC2(C(=O)[O-])CCCCC2)c1 ZINC001588605171 983691435 /nfs/dbraw/zinc/69/14/35/983691435.db2.gz BNKFZDLEFXBAJV-UHFFFAOYSA-N -1 0 316.401 3.876 20 30 DHEDRM C=C(CC(C)C)C(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001588605910 983695557 /nfs/dbraw/zinc/69/55/57/983695557.db2.gz QZTNZTBXXZLOHA-QGZVFWFLSA-N -1 0 311.381 3.684 20 30 DHEDRM C=C(CC(C)C)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001588606313 983697284 /nfs/dbraw/zinc/69/72/84/983697284.db2.gz WJTIJPNSCDZXJZ-AWEZNQCLSA-N -1 0 309.793 3.574 20 30 DHEDRM C=C(CC)CNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001588607298 983700733 /nfs/dbraw/zinc/70/07/33/983700733.db2.gz YGRPFISPZJDNMF-UHFFFAOYSA-N -1 0 309.365 3.748 20 30 DHEDRM C=C(CNC(=O)Nc1cc(C(=O)[O-])sc1C)c1ccccc1 ZINC001588637033 983757979 /nfs/dbraw/zinc/75/79/79/983757979.db2.gz DAXRGUHAPDNWFU-UHFFFAOYSA-N -1 0 316.382 3.590 20 30 DHEDRM C=C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1)c1ccccc1 ZINC001588663112 983793664 /nfs/dbraw/zinc/79/36/64/983793664.db2.gz 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ZINC000069579685 1021226056 /nfs/dbraw/zinc/22/60/56/1021226056.db2.gz KYYMLWTYAUYXER-UHFFFAOYSA-N -1 0 321.442 3.791 20 30 DHEDRM C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1c(F)cccc1F ZINC000917558408 1021295635 /nfs/dbraw/zinc/29/56/35/1021295635.db2.gz OFTQSKHKBKIHCP-YSUMALLGSA-N -1 0 306.268 3.759 20 30 DHEDRM CCCCCC(=NNc1[n-]cnc2ncnc1-2)c1ccccc1 ZINC000917554770 1021300907 /nfs/dbraw/zinc/30/09/07/1021300907.db2.gz KNIRIHHTGFOBOZ-UHFFFAOYSA-N -1 0 308.389 3.749 20 30 DHEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])C3=COCCC3)n2)cc1 ZINC000744035321 1021420034 /nfs/dbraw/zinc/42/00/34/1021420034.db2.gz PCTPPBAHAZJHPL-OAHLLOKOSA-N -1 0 324.405 3.989 20 30 DHEDRM N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1[O-] ZINC000189759233 1021435356 /nfs/dbraw/zinc/43/53/56/1021435356.db2.gz XEOXBTATTCSHCC-UHFFFAOYSA-N -1 0 307.136 3.823 20 30 DHEDRM Cc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1C(F)(F)F ZINC000189979813 1021476562 /nfs/dbraw/zinc/47/65/62/1021476562.db2.gz COJZBEDTGADCDS-UHFFFAOYSA-N -1 0 320.270 3.843 20 30 DHEDRM CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000070031404 1021487234 /nfs/dbraw/zinc/48/72/34/1021487234.db2.gz YSIDZIQEMUZGNE-ZDUSSCGKSA-N -1 0 323.458 3.893 20 30 DHEDRM CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)CCc1ccccc1 ZINC000070036193 1021489550 /nfs/dbraw/zinc/48/95/50/1021489550.db2.gz AWRMRODVWPFRQI-CQSZACIVSA-N -1 0 311.447 3.588 20 30 DHEDRM Cc1cnc(F)cc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000892803733 1021626045 /nfs/dbraw/zinc/62/60/45/1021626045.db2.gz VJQQWEFSVNJHDB-NSHDSACASA-N -1 0 303.362 3.599 20 30 DHEDRM O=C([O-])c1ccc(NN=Cc2c[nH]c3cc(Cl)ccc23)cc1 ZINC000918708355 1021626157 /nfs/dbraw/zinc/62/61/57/1021626157.db2.gz JFSOGXPFJCENCP-UHFFFAOYSA-N -1 0 313.744 3.966 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1CCC1(C)C ZINC000850738565 1021631685 /nfs/dbraw/zinc/63/16/85/1021631685.db2.gz DBILQOFMOOGWOH-ZIAGYGMSSA-N -1 0 308.381 3.804 20 30 DHEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C2CC2)cc1 ZINC000850751614 1021640557 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CCSc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)ccn1 ZINC000183452001 1022147405 /nfs/dbraw/zinc/14/74/05/1022147405.db2.gz LHBJNFZTEJOAPI-LBPRGKRZSA-N -1 0 322.393 3.560 20 30 DHEDRM CCCOc1ccccc1N=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000920943915 1022192925 /nfs/dbraw/zinc/19/29/25/1022192925.db2.gz DXYXZYSKPOLDBN-UHFFFAOYSA-N -1 0 300.314 3.840 20 30 DHEDRM CCCCCCCC[C@H](C)C(=O)N1CCCc2c(=O)[nH]cnc21 ZINC000893205288 1022234597 /nfs/dbraw/zinc/23/45/97/1022234597.db2.gz PATPVAVZTGCSBZ-AWEZNQCLSA-N -1 0 319.449 3.848 20 30 DHEDRM O=C([O-])c1ccc(N=NC2CCC[C@H]2Cc2ccccn2)cc1 ZINC000853252275 1022245469 /nfs/dbraw/zinc/24/54/69/1022245469.db2.gz LBKQHTZCUISECY-AWEZNQCLSA-N -1 0 309.369 3.591 20 30 DHEDRM COc1ccc(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)cc1F ZINC000175322108 1022340487 /nfs/dbraw/zinc/34/04/87/1022340487.db2.gz WMOUJAOIYNNVQW-DUXPYHPUSA-N -1 0 308.255 3.714 20 30 DHEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)C2CC2)cc1 ZINC000064666960 1022397206 /nfs/dbraw/zinc/39/72/06/1022397206.db2.gz BQVOVQZLZUFCRS-GFCCVEGCSA-N -1 0 309.431 3.721 20 30 DHEDRM Cc1ccncc1CCCN=Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000776722660 1022437721 /nfs/dbraw/zinc/43/77/21/1022437721.db2.gz VOEONLIQOPVIHT-UHFFFAOYSA-N -1 0 317.776 3.772 20 30 DHEDRM CC(=NNc1ccc(F)cc1F)c1cc(C(=O)[O-])c(C)nc1C ZINC000776722585 1022437997 /nfs/dbraw/zinc/43/79/97/1022437997.db2.gz UKIUTQYLUMYIBC-UHFFFAOYSA-N -1 0 319.311 3.511 20 30 DHEDRM CC(=NNc1ccccc1Cl)c1cc(C(=O)[O-])c(C)nc1C ZINC000776720337 1022439360 /nfs/dbraw/zinc/43/93/60/1022439360.db2.gz MEGTWYKJINGLJK-UHFFFAOYSA-N -1 0 317.776 3.886 20 30 DHEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000179732259 1022521388 /nfs/dbraw/zinc/52/13/88/1022521388.db2.gz XGQWZMFPIVBFNN-UHFFFAOYSA-N -1 0 324.233 3.674 20 30 DHEDRM Cc1cc2ccccc2nc1NN=Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000776785060 1022566771 /nfs/dbraw/zinc/56/67/71/1022566771.db2.gz CFOJQZFJPLHLEI-UHFFFAOYSA-N -1 0 322.324 3.603 20 30 DHEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1Cl ZINC000179968567 1022599954 /nfs/dbraw/zinc/59/99/54/1022599954.db2.gz YPFKMJSLNXSZFC-UHFFFAOYSA-N -1 0 320.801 3.515 20 30 DHEDRM C=CCC(CC=C)C(=O)N1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000621588680 1022797810 /nfs/dbraw/zinc/79/78/10/1022797810.db2.gz CLENCZWDHQIGRK-DLBZAZTESA-N -1 0 313.397 3.572 20 30 DHEDRM Cn1cc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])c(C(C)(C)C)n1 ZINC000769610974 1023187151 /nfs/dbraw/zinc/18/71/51/1023187151.db2.gz UNBAGMNGDVPSDO-AATRIKPKSA-N -1 0 320.339 3.598 20 30 DHEDRM COc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c2ncccc12 ZINC000769718421 1023200766 /nfs/dbraw/zinc/20/07/66/1023200766.db2.gz LZMWOPJTHULHGZ-UHFFFAOYSA-N -1 0 323.308 3.608 20 30 DHEDRM C=CCOc1ccc(C=CC(=O)c2sccc2[O-])cc1OC ZINC000771745441 1023465912 /nfs/dbraw/zinc/46/59/12/1023465912.db2.gz TUKBWQDJODFNMW-GQCTYLIASA-N -1 0 316.378 3.923 20 30 DHEDRM N#Cc1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)cc1[O-] ZINC000785538491 1023588318 /nfs/dbraw/zinc/58/83/18/1023588318.db2.gz JTVRQPPBFGYJDB-UHFFFAOYSA-N -1 0 321.380 3.506 20 30 DHEDRM O=C([O-])c1cccc(/C=C2\Oc3ccccc3C2=O)c1Cl ZINC000787171250 1023768222 /nfs/dbraw/zinc/76/82/22/1023768222.db2.gz KEWCKZMRQWSOKI-JYRVWZFOSA-N -1 0 300.697 3.654 20 30 DHEDRM Cc1cc(C(=O)/C=C/c2cccc(C(=O)[O-])c2Cl)ccc1O ZINC000787169027 1023768498 /nfs/dbraw/zinc/76/84/98/1023768498.db2.gz LVQHPFYBDPQZTK-VMPITWQZSA-N -1 0 316.740 3.948 20 30 DHEDRM C[C@H](Oc1cccc(C=NNc2cccc(Cl)c2)c1)C(=O)[O-] ZINC000746680106 1023789631 /nfs/dbraw/zinc/78/96/31/1023789631.db2.gz XQKWUQXUFOCUTP-NSHDSACASA-N -1 0 318.760 3.638 20 30 DHEDRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1c[nH]c2ccccc12 ZINC000129539823 1024009193 /nfs/dbraw/zinc/00/91/93/1024009193.db2.gz VZPUSMIMFRGEQO-SOFGYWHQSA-N -1 0 308.293 3.678 20 30 DHEDRM Cc1c(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)cccc1[N+](=O)[O-] ZINC000130089990 1024129310 /nfs/dbraw/zinc/12/93/10/1024129310.db2.gz NTWPJRPIYXNYQX-AATRIKPKSA-N -1 0 319.263 3.783 20 30 DHEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2ccsc2Cl)cc1 ZINC000790214879 1024244267 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C=C(C)[C@@H](N[C@@H](C)c1nc(C)cc(=O)[nH]1)c1ccc(F)c(F)c1 ZINC000192790747 335039459 /nfs/dbraw/zinc/03/94/59/335039459.db2.gz UFAFFLVGWBJDFA-MEDUHNTESA-N -1 0 319.355 3.737 20 30 DHEDRM COc1ccc(-c2ccc3c(c2)CC[C@@]32C[C@@H]2C(=O)[O-])cc1C#N ZINC000584183596 331859389 /nfs/dbraw/zinc/85/93/89/331859389.db2.gz OGFFHHPUVVGLQX-YLJYHZDGSA-N -1 0 319.360 3.522 20 30 DHEDRM CCCc1nc(C)c(C([O-])=C(C#N)c2nccc3ccccc32)o1 ZINC000559281805 332014483 /nfs/dbraw/zinc/01/44/83/332014483.db2.gz YDWOZFQCWRFISZ-HNNXBMFYSA-N -1 0 319.364 3.974 20 30 DHEDRM CC[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1nc(C)cs1 ZINC000105356632 332251583 /nfs/dbraw/zinc/25/15/83/332251583.db2.gz WKZLQGATOPDTML-QNKXHIPISA-N -1 0 305.359 3.636 20 30 DHEDRM N#Cc1cc(F)c(C(=O)[N-]c2c(F)cc(F)cc2F)c(F)c1 ZINC000319636834 333391892 /nfs/dbraw/zinc/39/18/92/333391892.db2.gz NKNDPKNYOGPPNC-UHFFFAOYSA-N -1 0 312.197 3.506 20 30 DHEDRM Cc1ccc2oc(C(=O)[N-]S(=O)(=O)C3CCCCC3)cc2c1 ZINC000058081018 333398071 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CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000048585672 1013206633 /nfs/dbraw/zinc/20/66/33/1013206633.db2.gz UWNKVJPZEAHGBO-UHFFFAOYSA-N -1 0 323.336 3.787 20 30 DHEDRM CC(C)CCC(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000048585955 1013207075 /nfs/dbraw/zinc/20/70/75/1013207075.db2.gz RYKBOFCKUFIKIF-UHFFFAOYSA-N -1 0 323.336 3.787 20 30 DHEDRM CCCCCCCC(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001319224371 960932287 /nfs/dbraw/zinc/93/22/87/960932287.db2.gz NVCBRJLWCMQLEN-MRXNPFEDSA-N -1 0 305.418 3.988 20 30 DHEDRM CCCCS(=O)(=O)[N-]C(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000048619382 1013233661 /nfs/dbraw/zinc/23/36/61/1013233661.db2.gz VCWGJSUFKBSBCB-UHFFFAOYSA-N -1 0 317.838 3.704 20 30 DHEDRM Cc1cc(C(=O)/C=C\c2ccc(-n3cccn3)cc2)ccc1O ZINC000728230761 1013254621 /nfs/dbraw/zinc/25/46/21/1013254621.db2.gz HQCURSWOASULRD-UITAMQMPSA-N -1 0 304.349 3.782 20 30 DHEDRM N#CC[C@H](CC(=O)OCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001574481010 961669573 /nfs/dbraw/zinc/66/95/73/961669573.db2.gz SSIMNFQOBVNEPO-QGZVFWFLSA-N -1 0 323.348 3.516 20 30 DHEDRM Cc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)ns1 ZINC000519279650 1013301762 /nfs/dbraw/zinc/30/17/62/1013301762.db2.gz YBKWUZLXXHNBNJ-SECBINFHSA-N -1 0 305.428 3.696 20 30 DHEDRM C#CC[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1C)c1ccccc1 ZINC001573303072 962670163 /nfs/dbraw/zinc/67/01/63/962670163.db2.gz JYBUDHCVNZWONY-QGZVFWFLSA-N -1 0 322.364 3.579 20 30 DHEDRM C=C(C)C[C@@H](NC(=O)c1ccc2c(c1)oc1ccccc12)C(=O)[O-] ZINC001573324376 962783488 /nfs/dbraw/zinc/78/34/88/962783488.db2.gz RCYCIKQTDBFXJZ-OAHLLOKOSA-N -1 0 323.348 3.735 20 30 DHEDRM C=C(C)c1cccc(NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1 ZINC001573326003 962801308 /nfs/dbraw/zinc/80/13/08/962801308.db2.gz QKEHZVRPEXNEMK-FXAWDEMLSA-N -1 0 321.376 3.917 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC001573332544 962837510 /nfs/dbraw/zinc/83/75/10/962837510.db2.gz OSVCZCPPLSGMJB-KDOFPFPSSA-N -1 0 315.413 3.716 20 30 DHEDRM C=C(CSc1cc2ccccc2cc1C(=O)[O-])C(=O)OCC ZINC001573339754 962894456 /nfs/dbraw/zinc/89/44/56/962894456.db2.gz XPHAQAWSXGVZSE-UHFFFAOYSA-N -1 0 316.378 3.749 20 30 DHEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001573353085 962995601 /nfs/dbraw/zinc/99/56/01/962995601.db2.gz OWALNHSLEOQBFM-SWLSCSKDSA-N -1 0 302.374 3.641 20 30 DHEDRM C=CCCC[C@@H](NC(=O)CC(C)(C)C1CCCCC1)C(=O)[O-] ZINC001573356617 963009393 /nfs/dbraw/zinc/00/93/93/963009393.db2.gz FFXFRDBHAXKQAU-OAHLLOKOSA-N -1 0 309.450 3.909 20 30 DHEDRM C=CCN(Cc1ccccc1F)[C@H](C(=O)[O-])c1ccccc1F ZINC001573367864 963070472 /nfs/dbraw/zinc/07/04/72/963070472.db2.gz CSGOXGFJKLGEEU-KRWDZBQOSA-N -1 0 317.335 3.779 20 30 DHEDRM CCCCCCCC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000316031267 963966928 /nfs/dbraw/zinc/96/69/28/963966928.db2.gz NASOCMLHEHLMCO-INIZCTEOSA-N -1 0 303.402 3.558 20 30 DHEDRM CCc1cc(C#N)c(NC(=O)c2c(F)cc(OC)cc2F)s1 ZINC001125351443 1013472762 /nfs/dbraw/zinc/47/27/62/1013472762.db2.gz JTHOIPKHPWRNAA-UHFFFAOYSA-N -1 0 322.336 3.721 20 30 DHEDRM CC(C)n1nccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430622631 1013642530 /nfs/dbraw/zinc/64/25/30/1013642530.db2.gz FVSITEGVWAVNRU-NSHDSACASA-N -1 0 316.430 3.708 20 30 DHEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2coc3ccccc23)c1 ZINC000255120183 1013797016 /nfs/dbraw/zinc/79/70/16/1013797016.db2.gz VVKAMHABLAWUHW-HJWRWDBZSA-N -1 0 322.316 3.792 20 30 DHEDRM C=CCCCCCN(C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655904779 1013811160 /nfs/dbraw/zinc/81/11/60/1013811160.db2.gz NAXIQMKITPCOJW-SOUVJXGZSA-N -1 0 324.465 3.510 20 30 DHEDRM CCC1CCC(CNC(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000330678848 1013830167 /nfs/dbraw/zinc/83/01/67/1013830167.db2.gz CTMHIZUSBMUUHX-UHFFFAOYSA-N -1 0 306.362 3.821 20 30 DHEDRM CCS[C@@H]1CCC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330739626 1013838598 /nfs/dbraw/zinc/83/85/98/1013838598.db2.gz AEEXEDLADACQBT-CMPLNLGQSA-N -1 0 324.402 3.669 20 30 DHEDRM CC(C)(C)NC(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000330945867 1013849539 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CC#Cc1cncc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)c1 ZINC001211055521 1014121440 /nfs/dbraw/zinc/12/14/40/1014121440.db2.gz YHCHAGLIOTUGFJ-UHFFFAOYSA-N -1 0 312.131 3.743 20 30 DHEDRM C=C(C)CONC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000846536296 1014207713 /nfs/dbraw/zinc/20/77/13/1014207713.db2.gz GCGIYPPHPSOROD-NSHDSACASA-N -1 0 312.207 3.567 20 30 DHEDRM C=CCC1(CNC(=O)CCc2ccc(C(=O)[O-])cc2)CCCC1 ZINC000630291618 975233582 /nfs/dbraw/zinc/23/35/82/975233582.db2.gz DNRFJNPYBCVSPA-UHFFFAOYSA-N -1 0 315.413 3.570 20 30 DHEDRM CC(C)c1cccc2c1OC/C(=C/c1ccc(C(=O)[O-])o1)C2=O ZINC001591993988 976627442 /nfs/dbraw/zinc/62/74/42/976627442.db2.gz FEZQLWVOZCNQSO-FLIBITNWSA-N -1 0 312.321 3.760 20 30 DHEDRM CC(C)c1ncc(C=NNc2ccc(F)c(C(=O)[O-])c2)s1 ZINC001592033650 976748912 /nfs/dbraw/zinc/74/89/12/976748912.db2.gz OZDGPXHTONUPPB-UHFFFAOYSA-N -1 0 307.350 3.550 20 30 DHEDRM CC(C)[C@@H](C#N)c1ccc(-c2cc(C(=O)[O-])ccc2CO)cc1 ZINC000580784922 1014351449 /nfs/dbraw/zinc/35/14/49/1014351449.db2.gz HOABJXBQFBZMLV-GOSISDBHSA-N -1 0 309.365 3.807 20 30 DHEDRM N#Cc1ccc(Cl)c(C(=O)N2CCCc3cccc(O)c32)c1 ZINC000574817495 1014407533 /nfs/dbraw/zinc/40/75/33/1014407533.db2.gz NSFBAAWNECDHJC-UHFFFAOYSA-N -1 0 312.756 3.510 20 30 DHEDRM C[C@@H](CCN=Nc1nc(Cl)c(Cl)cc1Cl)C(=O)[O-] ZINC001592470702 978224357 /nfs/dbraw/zinc/22/43/57/978224357.db2.gz KOPIFRVJVWEJJB-YFKPBYRVSA-N -1 0 310.568 3.550 20 30 DHEDRM CC(C)Cn1nccc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000580951709 1014477773 /nfs/dbraw/zinc/47/77/73/1014477773.db2.gz JBCMYSJTYLYOES-GFCCVEGCSA-N -1 0 316.430 3.609 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1N=NC(C)c1sccc1C ZINC000756899000 978700417 /nfs/dbraw/zinc/70/04/17/978700417.db2.gz KZBOMBWUTBSZJG-UHFFFAOYSA-N -1 0 304.371 3.599 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1NN=C(C)c1cc(F)cc(F)c1 ZINC000756899016 978700697 /nfs/dbraw/zinc/70/06/97/978700697.db2.gz LQDAVDKUMNHAHV-UHFFFAOYSA-N -1 0 320.295 3.508 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1N=NC[C@@H](C)c1ccc(F)cc1 ZINC000756905732 978702049 /nfs/dbraw/zinc/70/20/49/978702049.db2.gz HNKKYKVSHRCMGD-LLVKDONJSA-N -1 0 316.332 3.734 20 30 DHEDRM O=C([O-])c1cccc(NN=Cc2ccc(F)c3cccnc23)c1 ZINC000759178691 978705514 /nfs/dbraw/zinc/70/55/14/978705514.db2.gz BWPPERWGALNOFX-UHFFFAOYSA-N -1 0 309.300 3.518 20 30 DHEDRM CC(=NNc1ccccc1C(=O)[O-])c1csc(C(C)C)n1 ZINC000768773290 978738871 /nfs/dbraw/zinc/73/88/71/978738871.db2.gz NFKTXRHGHRSPNC-UHFFFAOYSA-N -1 0 303.387 3.801 20 30 DHEDRM O=C([O-])c1cccc(/C=C/C(=O)c2cccc(OC(F)F)c2)c1 ZINC000774118428 978745909 /nfs/dbraw/zinc/74/59/09/978745909.db2.gz IXYOJHONRSUOHQ-BQYQJAHWSA-N -1 0 318.275 3.882 20 30 DHEDRM COc1ccc2c(c1)C(=O)/C(=C/c1cccc(C(=O)[O-])c1)CC2 ZINC000774132525 978746407 /nfs/dbraw/zinc/74/64/07/978746407.db2.gz XFGIXKCFYSXTBN-NTEUORMPSA-N -1 0 308.333 3.606 20 30 DHEDRM O=C([O-])c1ccccc1NN=Cc1cnc(-c2ccco2)s1 ZINC000782176949 978791779 /nfs/dbraw/zinc/79/17/79/978791779.db2.gz KENLEZFGCUCESS-UHFFFAOYSA-N -1 0 313.338 3.547 20 30 DHEDRM CC(=NN=c1[nH]c2ccccc2s1)c1cc(C(=O)[O-])cs1 ZINC000814686551 978872664 /nfs/dbraw/zinc/87/26/64/978872664.db2.gz NATVPBADAIMFQY-UHFFFAOYSA-N -1 0 317.395 3.892 20 30 DHEDRM C=CCN(C(=O)CCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000833375065 979173508 /nfs/dbraw/zinc/17/35/08/979173508.db2.gz UXPSKFFARKCFIK-UHFFFAOYSA-N -1 0 309.365 3.537 20 30 DHEDRM CC(=NNc1ccc(C(=O)[O-])c(F)c1)c1csc(C(C)C)n1 ZINC000835008093 979243385 /nfs/dbraw/zinc/24/33/85/979243385.db2.gz ALLDXFNZBPYPSK-UHFFFAOYSA-N -1 0 321.377 3.940 20 30 DHEDRM C[C@H](Cc1ccc(NCc2ccc(C#N)c(F)c2)cc1)C(=O)[O-] ZINC001592878160 979748464 /nfs/dbraw/zinc/74/84/64/979748464.db2.gz VSJWUQBVANQVHV-GFCCVEGCSA-N -1 0 312.344 3.573 20 30 DHEDRM C=C[C@H]1CCCCN1Cc1ccc(C(=O)[O-])c(Br)c1 ZINC000902545476 980928302 /nfs/dbraw/zinc/92/83/02/980928302.db2.gz WVBKUQVYRJPSRF-LBPRGKRZSA-N -1 0 324.218 3.688 20 30 DHEDRM C=CCCC[C@H](NC(=O)c1cc(C2CC2)oc1C1CC1)C(=O)[O-] ZINC000907780974 981218992 /nfs/dbraw/zinc/21/89/92/981218992.db2.gz LFGURZOHZDLUPZ-AWEZNQCLSA-N -1 0 317.385 3.574 20 30 DHEDRM C=CCC(C)(C)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000909229027 981438499 /nfs/dbraw/zinc/43/84/99/981438499.db2.gz FVNSDYPSZUASFY-UHFFFAOYSA-N -1 0 321.442 3.935 20 30 DHEDRM CCCCCCCC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001595702386 982264066 /nfs/dbraw/zinc/26/40/66/982264066.db2.gz IJGOGASPUYZMEW-UHFFFAOYSA-N -1 0 303.402 3.630 20 30 DHEDRM CCCCCCCC[C@@H](C)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001595705189 982282966 /nfs/dbraw/zinc/28/29/66/982282966.db2.gz RAMJBHWVGUEABC-UUAJXVIYSA-N -1 0 323.477 3.989 20 30 DHEDRM CCCCCCCC[C@@H](C)C(=O)Nc1c(C(=O)[O-])c(C)nn1C ZINC001595705232 982283764 /nfs/dbraw/zinc/28/37/64/982283764.db2.gz SFPIESRTFJHUIV-GFCCVEGCSA-N -1 0 323.437 3.752 20 30 DHEDRM Cc1cc(NC(=O)c2ccc(C#N)c([O-])c2)cc(C)c1Cl ZINC000443167334 1014829822 /nfs/dbraw/zinc/82/98/22/1014829822.db2.gz CJXRRTIRMJHKGA-UHFFFAOYSA-N -1 0 300.745 3.786 20 30 DHEDRM COc1cc(C(=O)/C=C\c2ccc(C)s2)c(OC)cc1O ZINC000255308303 1014908117 /nfs/dbraw/zinc/90/81/17/1014908117.db2.gz QMQOXEKGTYACSZ-SREVYHEPSA-N -1 0 304.367 3.675 20 30 DHEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccccc1F ZINC000443425756 1014909951 /nfs/dbraw/zinc/90/99/51/1014909951.db2.gz ZKXWVOVLDOSAIS-UHFFFAOYSA-N -1 0 305.374 3.745 20 30 DHEDRM C#C[C@@H](N[C@H](C(=O)[O-])c1ccccc1)c1ccc(Cl)cc1F ZINC001588377624 983357678 /nfs/dbraw/zinc/35/76/78/983357678.db2.gz OCDLKNIKKHYKCP-CVEARBPZSA-N -1 0 317.747 3.569 20 30 DHEDRM C#Cc1ccc(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)cc1 ZINC001588516730 983561980 /nfs/dbraw/zinc/56/19/80/983561980.db2.gz ZBJJULGEANKXBQ-UHFFFAOYSA-N -1 0 315.328 3.772 20 30 DHEDRM C=C(C)COc1cccc(NC(=O)c2ccsc2C(=O)[O-])c1 ZINC001588573785 983653930 /nfs/dbraw/zinc/65/39/30/983653930.db2.gz WZRUVZPZSTYIBX-UHFFFAOYSA-N -1 0 317.366 3.654 20 30 DHEDRM C=C(C)COc1cccc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@@H]2C)c1 ZINC001588573782 983654134 /nfs/dbraw/zinc/65/41/34/983654134.db2.gz WWUKPORNXBTNSF-JJRVBVJISA-N -1 0 303.402 3.943 20 30 DHEDRM C=C[C@@H](C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1ccccc1 ZINC001588664895 983805589 /nfs/dbraw/zinc/80/55/89/983805589.db2.gz YZCRRQVMDRXNMD-CQSZACIVSA-N -1 0 320.348 3.774 20 30 DHEDRM C=CC(C)(C)CC(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C ZINC001588673430 983830416 /nfs/dbraw/zinc/83/04/16/983830416.db2.gz XSPQVNQEDXKVAW-UHFFFAOYSA-N -1 0 315.369 3.693 20 30 DHEDRM C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001588690490 983874408 /nfs/dbraw/zinc/87/44/08/983874408.db2.gz AOYIJRYBUUSUHP-BBRMVZONSA-N -1 0 315.413 3.523 20 30 DHEDRM C=C[C@H](CC(=O)OCc1ccsc1C(=O)[O-])c1ccccc1 ZINC001588690860 983877895 /nfs/dbraw/zinc/87/78/95/983877895.db2.gz MVOGQCPVZJOKOH-GFCCVEGCSA-N -1 0 316.378 3.849 20 30 DHEDRM C=CC1(CC(=O)N(CC(C)C)C(C)(C)C(=O)[O-])CCCCC1 ZINC001588714489 983951867 /nfs/dbraw/zinc/95/18/67/983951867.db2.gz HSPWZYFTDOPRGN-UHFFFAOYSA-N -1 0 309.450 3.861 20 30 DHEDRM C=C[C@H](Sc1nnc(-c2ccccc2)n1[C@H](C)CC)C(=O)[O-] ZINC001588714541 983952268 /nfs/dbraw/zinc/95/22/68/983952268.db2.gz JBQONRSGZZRXKO-YPMHNXCESA-N -1 0 317.414 3.647 20 30 DHEDRM C=C[C@H]1CCCCN1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001588718807 983957516 /nfs/dbraw/zinc/95/75/16/983957516.db2.gz GMGRIKZXFWRBAK-ZDUSSCGKSA-N -1 0 302.374 3.574 20 30 DHEDRM C=C[C@@H]1CCCCN1C(=O)Nc1ccc(CC)cc1C(=O)[O-] ZINC001588719084 983958486 /nfs/dbraw/zinc/95/84/86/983958486.db2.gz KTRRZIANKBOCTO-CYBMUJFWSA-N -1 0 302.374 3.520 20 30 DHEDRM C=CC1CCN(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CC1 ZINC001588720211 983965136 /nfs/dbraw/zinc/96/51/36/983965136.db2.gz NFOBVBOKALDCTD-UHFFFAOYSA-N -1 0 324.380 3.968 20 30 DHEDRM C=CC[C@@H](C(=O)OCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001588732185 984016056 /nfs/dbraw/zinc/01/60/56/984016056.db2.gz WCOGXIWPTKDYFM-QGZVFWFLSA-N -1 0 310.349 3.788 20 30 DHEDRM C=CC[C@@H](C)NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001588736010 984021964 /nfs/dbraw/zinc/02/19/64/984021964.db2.gz QCGIHDNEYDBQKD-CYBMUJFWSA-N -1 0 309.365 3.746 20 30 DHEDRM C=CC[C@@H](Sc1nccn1-c1cccc(C)c1C)C(=O)[O-] ZINC001588758875 984108029 /nfs/dbraw/zinc/10/80/29/984108029.db2.gz LCDIFVSSFZUWJF-CQSZACIVSA-N -1 0 302.399 3.611 20 30 DHEDRM C=CCC1(C(=O)NCCc2ccccc2C(=O)[O-])CCCCC1 ZINC001588765146 984124813 /nfs/dbraw/zinc/12/48/13/984124813.db2.gz RHNWSVAVJWZSOE-UHFFFAOYSA-N -1 0 315.413 3.570 20 30 DHEDRM C=CC[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)C1 ZINC001588770672 984135087 /nfs/dbraw/zinc/13/50/87/984135087.db2.gz CJPUGJVRSUNSNM-GFCCVEGCSA-N -1 0 320.364 3.652 20 30 DHEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001588771067 984137518 /nfs/dbraw/zinc/13/75/18/984137518.db2.gz NJGJCTQQHXUZHB-UKRRQHHQSA-N -1 0 316.401 3.950 20 30 DHEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001588771243 984138497 /nfs/dbraw/zinc/13/84/97/984138497.db2.gz QXQRDVKKXDYVMI-QWRGUYRKSA-N -1 0 308.403 3.703 20 30 DHEDRM C=CCCC1(CNC(=O)c2ccsc2CC(=O)[O-])CCCC1 ZINC001588782498 984172929 /nfs/dbraw/zinc/17/29/29/984172929.db2.gz VZFBNEIBNXMEGJ-UHFFFAOYSA-N -1 0 321.442 3.632 20 30 DHEDRM C=CCCC[C@@H](NC(=O)[C@H](CC)C1CCC(C)CC1)C(=O)[O-] ZINC001588784778 984177559 /nfs/dbraw/zinc/17/75/59/984177559.db2.gz BCGQAHIFOIFDHW-QDIHITRGSA-N -1 0 309.450 3.765 20 30 DHEDRM C=CCCC[C@H](NC(=O)/C=C/c1cc(C)c(C)cc1C)C(=O)[O-] ZINC001588789903 984202232 /nfs/dbraw/zinc/20/22/32/984202232.db2.gz MSQQTTOMCYEJSY-FVNWOWOISA-N -1 0 315.413 3.551 20 30 DHEDRM C=CCCCN(CC)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001588801689 984246971 /nfs/dbraw/zinc/24/69/71/984246971.db2.gz UKTWMLDFLHKZPF-JKSUJKDBSA-N -1 0 316.401 3.695 20 30 DHEDRM C=CCCCN(CC)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001588801687 984247120 /nfs/dbraw/zinc/24/71/20/984247120.db2.gz UCCICPBIKHJWKL-ZDUSSCGKSA-N -1 0 304.390 3.695 20 30 DHEDRM C=CCCSCCNc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001588814841 984273302 /nfs/dbraw/zinc/27/33/02/984273302.db2.gz UJZHQBYUPGXUFP-UHFFFAOYSA-N -1 0 320.336 3.520 20 30 DHEDRM C=CCN(C(=O)c1ccccc1-c1ccccc1C(=O)[O-])C1CC1 ZINC001588820820 984287058 /nfs/dbraw/zinc/28/70/58/984287058.db2.gz UUYOLYQAMKNRJT-UHFFFAOYSA-N -1 0 321.376 3.842 20 30 DHEDRM C=CCN(Cc1ccccc1)c1ncc(C(=O)[O-])cc1Cl ZINC001588831600 984314883 /nfs/dbraw/zinc/31/48/83/984314883.db2.gz DEZOOGLABXCITG-UHFFFAOYSA-N -1 0 302.761 3.626 20 30 DHEDRM C=CCOC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC001588850094 984378657 /nfs/dbraw/zinc/37/86/57/984378657.db2.gz XCHLSKVRSYQWMK-UHFFFAOYSA-N -1 0 318.350 3.613 20 30 DHEDRM C=CCOc1ccccc1CNc1cccc(CCC(=O)[O-])c1 ZINC001588877438 984453322 /nfs/dbraw/zinc/45/33/22/984453322.db2.gz PHWSYDYSCULQJN-UHFFFAOYSA-N -1 0 311.381 3.881 20 30 DHEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H](C)CC(C)C ZINC001588881850 984461119 /nfs/dbraw/zinc/46/11/19/984461119.db2.gz FUXHGEPRDGAZQX-LBPRGKRZSA-N -1 0 320.385 3.710 20 30 DHEDRM C=CCc1cc([N+](=O)[O-])ccc1OCc1cc(C(=O)[O-])oc1C ZINC001588885882 984470402 /nfs/dbraw/zinc/47/04/02/984470402.db2.gz XUDGSMTYYQMREN-UHFFFAOYSA-N -1 0 317.297 3.502 20 30 DHEDRM C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(C(=O)[O-])cn1 ZINC001588886475 984472263 /nfs/dbraw/zinc/47/22/63/984472263.db2.gz IQVHAPLACFZYGO-UHFFFAOYSA-N -1 0 324.380 3.884 20 30 DHEDRM CCOc1cc(C)ccc1NCc1cccc(C(=O)[O-])c1C#N ZINC001597031970 986453581 /nfs/dbraw/zinc/45/35/81/986453581.db2.gz MTSMYPCYOXCFHV-UHFFFAOYSA-N -1 0 310.353 3.576 20 30 DHEDRM CCOc1ccc(O)c(C=Nc2cc(F)cc(C(=O)[O-])c2F)c1 ZINC001597130203 986844873 /nfs/dbraw/zinc/84/48/73/986844873.db2.gz MHZZYBMZOZZLKL-UHFFFAOYSA-N -1 0 321.279 3.518 20 30 DHEDRM CCC(C#N)(CC)C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001594722094 987208698 /nfs/dbraw/zinc/20/86/98/987208698.db2.gz IHGYGLSUHJFQLY-OAHLLOKOSA-N -1 0 315.369 3.635 20 30 DHEDRM CC(C)(C#N)c1ccc(C(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001589558324 987309285 /nfs/dbraw/zinc/30/92/85/987309285.db2.gz OMBPPFIDAVQCPQ-UHFFFAOYSA-N -1 0 323.348 3.543 20 30 DHEDRM CCSc1cccc(/C=C\C(=O)c2cc(C(=O)[O-])co2)c1 ZINC001597273367 987328182 /nfs/dbraw/zinc/32/81/82/987328182.db2.gz 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C=CCCO[N-]C(=O)[C@@H](CC)c1sc(SCC)nc1C ZINC001168627357 1020392878 /nfs/dbraw/zinc/39/28/78/1020392878.db2.gz PFURSOFENDFPPM-NSHDSACASA-N -1 0 314.476 3.681 20 30 DHEDRM CCC(CC)S(=O)(=O)[N-]C(=O)C1(c2ccccc2)CCC1 ZINC000073838291 1020401023 /nfs/dbraw/zinc/40/10/23/1020401023.db2.gz DUZWUNMYPRVFGJ-UHFFFAOYSA-N -1 0 309.431 3.583 20 30 DHEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cc(Cl)ccc1Cl ZINC000073837620 1020404884 /nfs/dbraw/zinc/40/48/84/1020404884.db2.gz LNBRLKSGPNPAKO-UHFFFAOYSA-N -1 0 324.229 3.816 20 30 DHEDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000179607859 1020412982 /nfs/dbraw/zinc/41/29/82/1020412982.db2.gz HECZDNAZPUWFHN-UHFFFAOYSA-N -1 0 320.801 3.629 20 30 DHEDRM O=C(/C=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(O)cc1[O-] ZINC000255840824 1020422850 /nfs/dbraw/zinc/42/28/50/1020422850.db2.gz BXNIQUFXKYLHRQ-KXFIGUGUSA-N -1 0 319.700 3.556 20 30 DHEDRM CC(C)c1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)nn1C ZINC000673812432 1020503348 /nfs/dbraw/zinc/50/33/48/1020503348.db2.gz 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1021419363 /nfs/dbraw/zinc/41/93/63/1021419363.db2.gz PCTPPBAHAZJHPL-HNNXBMFYSA-N -1 0 324.405 3.989 20 30 DHEDRM COc1ccc(-c2csc(C(C#N)=C([O-])C=CC3CC3)n2)cc1 ZINC000744061432 1021419661 /nfs/dbraw/zinc/41/96/61/1021419661.db2.gz KVXMCDXIEJQHDC-NOKKCYSASA-N -1 0 324.405 3.961 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2sc(CC(C)C)nc2C)n1 ZINC000070031163 1021486674 /nfs/dbraw/zinc/48/66/74/1021486674.db2.gz BXWSSQVYXGZNSP-LLVKDONJSA-N -1 0 319.455 3.905 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1CCC1(C)C ZINC000850738559 1021631566 /nfs/dbraw/zinc/63/15/66/1021631566.db2.gz DBILQOFMOOGWOH-KBPBESRZSA-N -1 0 308.381 3.804 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccccc2C(F)(F)F)c1 ZINC000745623745 1021746851 /nfs/dbraw/zinc/74/68/51/1021746851.db2.gz BBJPDJSBVYEFQV-OCKHKDLRSA-N -1 0 324.258 3.938 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2OC2CCC2)n1 ZINC000118598834 1021758673 /nfs/dbraw/zinc/75/86/73/1021758673.db2.gz FNODEBKCGRKKIW-AWEZNQCLSA-N -1 0 312.394 3.873 20 30 DHEDRM 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C=CCN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)C1CC1 ZINC000576881456 604971970 /nfs/dbraw/zinc/97/19/70/604971970.db2.gz OWBKFPMUGDOYIN-UHFFFAOYSA-N -1 0 314.410 3.659 20 30 DHEDRM COc1ccc(C#N)cc1CSCc1ccc(C(=O)[O-])s1 ZINC000832152413 604973310 /nfs/dbraw/zinc/97/33/10/604973310.db2.gz DOKWUBGTXCUAFP-UHFFFAOYSA-N -1 0 319.407 3.760 20 30 DHEDRM C=CCN(C(=O)Nc1scc(C2CC2)c1C(=O)[O-])C1CC1 ZINC000833375429 604974094 /nfs/dbraw/zinc/97/40/94/604974094.db2.gz WVMNLBXTWFYGQR-UHFFFAOYSA-N -1 0 306.387 3.506 20 30 DHEDRM N#Cc1c(F)cccc1N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000833761298 605043290 /nfs/dbraw/zinc/04/32/90/605043290.db2.gz SZMKRVPSAUCALL-AWEZNQCLSA-N -1 0 312.344 3.585 20 30 DHEDRM C[C@@H](C#N)Oc1ccc(CNc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737560292 605242159 /nfs/dbraw/zinc/24/21/59/605242159.db2.gz QGYZDXKEQTVUJA-LBPRGKRZSA-N -1 0 311.341 3.679 20 30 DHEDRM C=CCC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccccc1 ZINC000151345832 605264897 /nfs/dbraw/zinc/26/48/97/605264897.db2.gz NJKOICVJTFAIRQ-OAHLLOKOSA-N 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LKXCNAIYEPXEGX-UHFFFAOYSA-N -1 0 304.390 3.524 20 30 DHEDRM CC#CCCCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001602735166 971417169 /nfs/dbraw/zinc/41/71/69/971417169.db2.gz UTFHWNNPGZBLQL-LLVKDONJSA-N -1 0 319.426 3.703 20 30 DHEDRM CCCCCCCCCN(C)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001589645055 949717233 /nfs/dbraw/zinc/71/72/33/949717233.db2.gz LAEMROKQTOFFJL-CABCVRRESA-N -1 0 312.454 3.632 20 30 DHEDRM C=CCCCCCCCCNC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000861456963 955916131 /nfs/dbraw/zinc/91/61/31/955916131.db2.gz UQFYKGYHBGKOBV-CVEARBPZSA-N -1 0 324.465 3.655 20 30 DHEDRM C=CC[C@@H]1N(C(=O)/C=C/c2ccc(C(=O)[O-])o2)CCCC1(C)C ZINC000864156690 955972033 /nfs/dbraw/zinc/97/20/33/955972033.db2.gz ALXNQEHRFRDYBZ-HQPKTYMTSA-N -1 0 317.385 3.584 20 30 DHEDRM CCN(Cc1c2ccccc2sc1C(=O)[O-])C[C@H](C)C#N ZINC000042447495 957418733 /nfs/dbraw/zinc/41/87/33/957418733.db2.gz CKFOEGVIHRJNPR-LLVKDONJSA-N -1 0 302.399 3.581 20 30 DHEDRM C=C(C)c1cccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001588444769 958366442 /nfs/dbraw/zinc/36/64/42/958366442.db2.gz RBPRUWONZMDOJX-QGZVFWFLSA-N -1 0 324.380 3.537 20 30 DHEDRM C=CCCC(C)(C)NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001588457013 958441500 /nfs/dbraw/zinc/44/15/00/958441500.db2.gz GFGUAJKJGKISNR-UHFFFAOYSA-N -1 0 304.390 3.570 20 30 DHEDRM C=CCCCCCCNC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001588458094 958458627 /nfs/dbraw/zinc/45/86/27/958458627.db2.gz KCDLWPXMZQDZMQ-QLFBSQMISA-N -1 0 324.465 3.558 20 30 DHEDRM C=CCCC1(CNC(=O)c2coc(/C=C/C(=O)[O-])c2)CCCC1 ZINC001588458471 958463531 /nfs/dbraw/zinc/46/35/31/958463531.db2.gz POAJJZUEXBWRMB-VOTSOKGWSA-N -1 0 317.385 3.634 20 30 DHEDRM C=CCCC[C@H](C(=O)NC[C@H](C(=O)[O-])C(C)C)c1ccccc1 ZINC001573328888 958503349 /nfs/dbraw/zinc/50/33/49/958503349.db2.gz RELASHRFOLXXLA-IRXDYDNUSA-N -1 0 317.429 3.600 20 30 DHEDRM C=CCC(CC=C)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191446751 959569651 /nfs/dbraw/zinc/56/96/51/959569651.db2.gz HFCOPJYETUCSHQ-ZDUSSCGKSA-N -1 0 301.386 3.657 20 30 DHEDRM CCCCCCC[C@@H](C)CNC(=O)c1ccc(C(=O)[O-])nc1 ZINC001573841726 961088562 /nfs/dbraw/zinc/08/85/62/961088562.db2.gz YQVAGSQTPWOPMT-CYBMUJFWSA-N -1 0 306.406 3.506 20 30 DHEDRM COc1cc2c(cc1/C=C\C(=O)c1ccc(O)c(C)c1)O[C@H](C)C2 ZINC000728230706 1013255391 /nfs/dbraw/zinc/25/53/91/1013255391.db2.gz FUVLKKCJQJVQHX-SCXUMTSISA-N -1 0 324.376 3.929 20 30 DHEDRM C=C(C)c1cccc(NC(=O)NCC(CC)(CC)C(=O)[O-])c1 ZINC001573326690 962807389 /nfs/dbraw/zinc/80/73/89/962807389.db2.gz ZSOLFSSFTHHCIF-UHFFFAOYSA-N -1 0 304.390 3.732 20 30 DHEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001573353200 962998078 /nfs/dbraw/zinc/99/80/78/962998078.db2.gz RKCIMSFPGOTWKV-XJKSGUPXSA-N -1 0 316.401 3.950 20 30 DHEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001573353243 962998765 /nfs/dbraw/zinc/99/87/65/962998765.db2.gz SNXJIDFQSKCRFP-CZUORRHYSA-N -1 0 301.386 3.558 20 30 DHEDRM C=CCCC[C@H](NC(=O)CC(C)(C)C1CCCCC1)C(=O)[O-] ZINC001573356615 963009381 /nfs/dbraw/zinc/00/93/81/963009381.db2.gz FFXFRDBHAXKQAU-HNNXBMFYSA-N -1 0 309.450 3.909 20 30 DHEDRM C=CCCC[C@@H](NC(=O)[C@H](CC(C)C)c1ccccc1)C(=O)[O-] ZINC001573358017 963024472 /nfs/dbraw/zinc/02/44/72/963024472.db2.gz VYUPRJNOBSKBLT-IAGOWNOFSA-N -1 0 317.429 3.742 20 30 DHEDRM C=CCCC[C@H](NC(=O)CCC(C)(C)c1ccccc1)C(=O)[O-] ZINC001573358461 963027623 /nfs/dbraw/zinc/02/76/23/963027623.db2.gz ZXNJDOSHMXZYFN-INIZCTEOSA-N -1 0 317.429 3.670 20 30 DHEDRM C=CCN(CCc1ccco1)[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001573369008 963089511 /nfs/dbraw/zinc/08/95/11/963089511.db2.gz UHPFLDGLWPPONY-MRXNPFEDSA-N -1 0 319.788 3.789 20 30 DHEDRM C=CC[C@H]1N(C(=O)c2c([O-])cc(F)cc2F)CCCC1(C)C ZINC000683517984 1013585656 /nfs/dbraw/zinc/58/56/56/1013585656.db2.gz ZLALMGNXLROLKE-CQSZACIVSA-N -1 0 309.356 3.877 20 30 DHEDRM Cc1cc(C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)c(C)o1 ZINC000121038726 1013742489 /nfs/dbraw/zinc/74/24/89/1013742489.db2.gz ZECSFIIPTVTAAH-HNNXBMFYSA-N -1 0 320.348 3.892 20 30 DHEDRM C=C(C)C[C@@H](C)C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000648442878 968584992 /nfs/dbraw/zinc/58/49/92/968584992.db2.gz KIVOZQBWEKAXRT-CQSZACIVSA-N -1 0 315.413 3.693 20 30 DHEDRM Cc1nc(C([O-])=C(C#N)c2nc(C(C)C)cs2)sc1C ZINC000683689831 1013858043 /nfs/dbraw/zinc/85/80/43/1013858043.db2.gz PWUNWPVZJZFIGD-SNVBAGLBSA-N -1 0 305.428 3.830 20 30 DHEDRM C[C@]1(CNC(=O)c2c([O-])cc(Cl)cc2Cl)CCCO1 ZINC000331246862 1013868806 /nfs/dbraw/zinc/86/88/06/1013868806.db2.gz VIZBBIQHLZNPEN-CYBMUJFWSA-N -1 0 304.173 3.573 20 30 DHEDRM C[C@@H]1CCC[C@]1(O)CNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000331246885 1013870458 /nfs/dbraw/zinc/87/04/58/1013870458.db2.gz VLBQQIMKFQSPJW-CLAHSXSESA-N -1 0 318.200 3.555 20 30 DHEDRM O=[N+]([O-])c1ccc(C=NNc2cccc(Cl)c2F)cc1[O-] ZINC000748133677 1013939277 /nfs/dbraw/zinc/93/92/77/1013939277.db2.gz OCCLGRKPUPSODN-UHFFFAOYSA-N -1 0 309.684 3.539 20 30 DHEDRM N#Cc1cnc(Nc2cccc([S-])c2)c(Br)c1 ZINC001210945938 1014093952 /nfs/dbraw/zinc/09/39/52/1014093952.db2.gz ZLHWDXINWVAQDU-UHFFFAOYSA-N -1 0 306.188 3.748 20 30 DHEDRM CC(C)Oc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001591776743 975924352 /nfs/dbraw/zinc/92/43/52/975924352.db2.gz JHXSFNVDTIICCU-YVMONPNESA-N -1 0 300.310 3.661 20 30 DHEDRM CC(C)Oc1ccc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@H]2C)cc1C#N ZINC001591788810 975976620 /nfs/dbraw/zinc/97/66/20/975976620.db2.gz VZNZSQAYESJCAB-DVOMOZLQSA-N -1 0 316.401 3.647 20 30 DHEDRM CC(C)c1cccc2c1OC/C(=C\c1cccc(C(=O)[O-])n1)C2=O ZINC001591995219 976640535 /nfs/dbraw/zinc/64/05/35/976640535.db2.gz VCPANPLXVCNKOH-FMIVXFBMSA-N -1 0 323.348 3.562 20 30 DHEDRM CC(C)[C@H](C#N)c1ccc(-c2cc(C(=O)[O-])ccc2CO)cc1 ZINC000580784923 1014349941 /nfs/dbraw/zinc/34/99/41/1014349941.db2.gz HOABJXBQFBZMLV-SFHVURJKSA-N -1 0 309.365 3.807 20 30 DHEDRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccccc1C#Cc1ccccc1 ZINC001592396564 977959536 /nfs/dbraw/zinc/95/95/36/977959536.db2.gz WSEVQGHDKQKAKQ-OAHLLOKOSA-N -1 0 321.376 3.526 20 30 DHEDRM C[C@@H](CC(=O)[O-])CC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC001592403492 977975258 /nfs/dbraw/zinc/97/52/58/977975258.db2.gz YOVHFZIEVBTAGW-ZDUSSCGKSA-N -1 0 323.348 3.632 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1cc2ccccc2o1 ZINC000756901470 978701680 /nfs/dbraw/zinc/70/16/80/978701680.db2.gz RHWKXJGDFSIVIK-UHFFFAOYSA-N -1 0 310.309 3.586 20 30 DHEDRM CC(CC(C)(C)c1ccccc1)N=Nc1ccc(C(=O)[O-])cn1 ZINC000763370098 978722083 /nfs/dbraw/zinc/72/20/83/978722083.db2.gz LUNRFQBOEJQKHQ-UHFFFAOYSA-N -1 0 311.385 3.936 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1N=NC(C)CCc1ccsc1 ZINC000764907860 978723400 /nfs/dbraw/zinc/72/34/00/978723400.db2.gz PCVUAHBXMQCREL-UHFFFAOYSA-N -1 0 318.398 3.876 20 30 DHEDRM O=C([O-])c1cccc(/C=C2\CCc3ccc([N+](=O)[O-])cc3C2=O)c1 ZINC000773152235 978744299 /nfs/dbraw/zinc/74/42/99/978744299.db2.gz UMWLUXPUAVXFLG-MDWZMJQESA-N -1 0 323.304 3.506 20 30 DHEDRM O=C([O-])c1ccccc1N=NCCSCc1ccccc1 ZINC000774353277 978746897 /nfs/dbraw/zinc/74/68/97/978746897.db2.gz WZRKTRRKVNDJGW-UHFFFAOYSA-N -1 0 300.383 3.716 20 30 DHEDRM C=CCCCS(=O)(=O)[N-]c1ncc(-c2cccc(C)c2)s1 ZINC000427763160 1014526624 /nfs/dbraw/zinc/52/66/24/1014526624.db2.gz IWWPDZMIVFUKCA-UHFFFAOYSA-N -1 0 322.455 3.826 20 30 DHEDRM COc1cccc2c1CC/C(=C\c1ccc(C(=O)[O-])cc1)C2=O ZINC000799503263 978841588 /nfs/dbraw/zinc/84/15/88/978841588.db2.gz YFCLYGQPAFTPQP-SDNWHVSQSA-N -1 0 308.333 3.606 20 30 DHEDRM C[C@@H]1C(N=Nc2cccc(C(F)(F)F)c2)CC[C@H]1CC(=O)[O-] ZINC000814689906 978872329 /nfs/dbraw/zinc/87/23/29/978872329.db2.gz LLQJVSCQPPMJJX-UWVGGRQHSA-N -1 0 314.307 3.994 20 30 DHEDRM C[C@H]1C(N=Nc2cccc(C(F)(F)F)c2)CC[C@@H]1CC(=O)[O-] ZINC000814689905 978872349 /nfs/dbraw/zinc/87/23/49/978872349.db2.gz LLQJVSCQPPMJJX-NXEZZACHSA-N -1 0 314.307 3.994 20 30 DHEDRM CC(C)c1c(Cl)ncnc1N=NC1CC[C@@H](CC(=O)[O-])[C@@H]1C ZINC000814922047 978898661 /nfs/dbraw/zinc/89/86/61/978898661.db2.gz RFQGNMJBYQRKOQ-UWVGGRQHSA-N -1 0 324.812 3.542 20 30 DHEDRM C=CC[C@H]1N(C(=O)c2ccc(/C=C\C(=O)[O-])o2)CCCC1(C)C ZINC000826573016 978947134 /nfs/dbraw/zinc/94/71/34/978947134.db2.gz YRBMWDQBGKUJCG-WKTRQSJXSA-N -1 0 317.385 3.584 20 30 DHEDRM CC(N=Nc1nc2cccnc2s1)[C@H](C)CCCCC(=O)[O-] ZINC000857218904 979625887 /nfs/dbraw/zinc/62/58/87/979625887.db2.gz XYNZZMLRDAVADD-SNVBAGLBSA-N -1 0 320.418 3.760 20 30 DHEDRM C=C(C)C(C)(C)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000909224389 981436292 /nfs/dbraw/zinc/43/62/92/981436292.db2.gz LVUICHHTBCBNBY-UHFFFAOYSA-N -1 0 321.442 3.935 20 30 DHEDRM CCCCCCCCNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001595704718 982278776 /nfs/dbraw/zinc/27/87/76/982278776.db2.gz XBVNFZLNGJLUBV-UHFFFAOYSA-N -1 0 309.366 3.769 20 30 DHEDRM CC(=O)c1cccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000341042184 1014841441 /nfs/dbraw/zinc/84/14/41/1014841441.db2.gz PHOZPVASFQVKNX-CQSZACIVSA-N -1 0 312.394 3.959 20 30 DHEDRM CC(C)(C#N)Cc1cccc(-c2ccc(C(=O)[O-])cc2CO)c1 ZINC000581440019 1014860521 /nfs/dbraw/zinc/86/05/21/1014860521.db2.gz QYCVIPBDVIBOSW-UHFFFAOYSA-N -1 0 309.365 3.636 20 30 DHEDRM O=C(/C=C\c1cc(F)c(F)c(F)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000255307550 1014855092 /nfs/dbraw/zinc/85/50/92/1014855092.db2.gz YORNDRNCDLCYCI-IWQZZHSRSA-N -1 0 323.226 3.614 20 30 DHEDRM O=C([O-])c1ccc(/C=C\C(=O)c2ccccc2OC(F)F)cc1 ZINC000916140354 982672170 /nfs/dbraw/zinc/67/21/70/982672170.db2.gz OEECYGGYRUXWQQ-YFHOEESVSA-N -1 0 318.275 3.882 20 30 DHEDRM CCCOc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1C ZINC001595966306 983171160 /nfs/dbraw/zinc/17/11/60/983171160.db2.gz GPQLAASPRUXHCW-SFHVURJKSA-N -1 0 324.380 3.893 20 30 DHEDRM C#Cc1ccc(NCc2ccnc3c(C(=O)[O-])cccc23)cc1 ZINC001588518261 983568928 /nfs/dbraw/zinc/56/89/28/983568928.db2.gz YPIYNVZLGWZTLQ-UHFFFAOYSA-N -1 0 302.333 3.526 20 30 DHEDRM C#Cc1cccc(N(C(=O)c2ccc(C)c(C(=O)[O-])c2)C(C)C)c1 ZINC001588522460 983571638 /nfs/dbraw/zinc/57/16/38/983571638.db2.gz YVVBPUPHSYDTBI-UHFFFAOYSA-N -1 0 321.376 3.730 20 30 DHEDRM C=C(C)C[C@H](NC(=O)c1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC001588546501 983615955 /nfs/dbraw/zinc/61/59/55/983615955.db2.gz MOQCNRCOVWASPE-HNNXBMFYSA-N -1 0 323.348 3.735 20 30 DHEDRM C=C(C)C[C@@H](NC(=O)c1cc2c(cccc2Cl)s1)C(=O)[O-] ZINC001588546776 983616579 /nfs/dbraw/zinc/61/65/79/983616579.db2.gz PPQXGUCFONWZQE-LLVKDONJSA-N -1 0 323.801 3.704 20 30 DHEDRM C=C(C)C[C@H](NC(=O)c1cc2c(cccc2Cl)s1)C(=O)[O-] ZINC001588546778 983616668 /nfs/dbraw/zinc/61/66/68/983616668.db2.gz PPQXGUCFONWZQE-NSHDSACASA-N -1 0 323.801 3.704 20 30 DHEDRM C=C(C)C[C@H](NC(=O)c1csc(C2CCCCC2)c1)C(=O)[O-] ZINC001588548663 983624737 /nfs/dbraw/zinc/62/47/37/983624737.db2.gz SHDFAJWEJRHPNS-AWEZNQCLSA-N -1 0 321.442 3.945 20 30 DHEDRM CCN(C[C@@H](C)C#N)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001596231019 983625683 /nfs/dbraw/zinc/62/56/83/983625683.db2.gz FYGJMYKVXSNKSF-TVQRCGJNSA-N -1 0 315.200 3.601 20 30 DHEDRM C=C(C)C[C@H](Nc1ccc(C(F)(F)F)c(Cl)n1)C(=O)[O-] ZINC001588554618 983631424 /nfs/dbraw/zinc/63/14/24/983631424.db2.gz MHJSURWBNHMANR-QMMMGPOBSA-N -1 0 308.687 3.585 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C ZINC001588607286 983700618 /nfs/dbraw/zinc/70/06/18/983700618.db2.gz XXURLNLUBPEBMQ-LBPRGKRZSA-N -1 0 324.446 3.515 20 30 DHEDRM C=C1CCC(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CC1 ZINC001588649898 983770884 /nfs/dbraw/zinc/77/08/84/983770884.db2.gz KWQWVKZOKQXRRJ-UHFFFAOYSA-N -1 0 311.740 3.862 20 30 DHEDRM C=C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1)c1ccccc1 ZINC001588663110 983793492 /nfs/dbraw/zinc/79/34/92/983793492.db2.gz BZKVIHGOGKYPKZ-MSOLQXFVSA-N -1 0 323.392 3.597 20 30 DHEDRM C=CC(C)(C)CCCNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001588673325 983829532 /nfs/dbraw/zinc/82/95/32/983829532.db2.gz REKOOYWQTNWHGH-UHFFFAOYSA-N -1 0 318.417 3.519 20 30 DHEDRM C=CC(C)(C)CNc1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC001588681109 983838520 /nfs/dbraw/zinc/83/85/20/983838520.db2.gz PGCVILNTCVHTEV-UHFFFAOYSA-N -1 0 305.403 3.630 20 30 DHEDRM C=C[C@@](C)(CC)C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001588681968 983842349 /nfs/dbraw/zinc/84/23/49/983842349.db2.gz 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983968502 /nfs/dbraw/zinc/96/85/02/983968502.db2.gz ASVHCOSBOMPUFQ-KRWDZBQOSA-N -1 0 309.365 3.992 20 30 DHEDRM C=CCC(C)(C)CNC(=O)Nc1ccc(C(=O)[O-])cc1OCC ZINC001588736840 984027272 /nfs/dbraw/zinc/02/72/72/984027272.db2.gz WQLXLVBZFPVOKO-UHFFFAOYSA-N -1 0 320.389 3.507 20 30 DHEDRM C=CCC(F)(F)C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001588742380 984031936 /nfs/dbraw/zinc/03/19/36/984031936.db2.gz BOCGRHFEGONBLD-CYBMUJFWSA-N -1 0 310.296 3.517 20 30 DHEDRM C=CC[C@H](Nc1ccc(NC(=O)OC(C)(C)C)c(C)c1)C(=O)[O-] ZINC001588751945 984079183 /nfs/dbraw/zinc/07/91/83/984079183.db2.gz RSZJDYUYBVNECY-AWEZNQCLSA-N -1 0 320.389 3.783 20 30 DHEDRM CN(C(=O)c1cc(Cl)c2ccccc2c1[O-])C1(C#N)CCC1 ZINC000094054653 1015004153 /nfs/dbraw/zinc/00/41/53/1015004153.db2.gz JGMFAKYFBSVELN-UHFFFAOYSA-N -1 0 314.772 3.717 20 30 DHEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001588771068 984137271 /nfs/dbraw/zinc/13/72/71/984137271.db2.gz NJGJCTQQHXUZHB-ZFWWWQNUSA-N -1 0 316.401 3.950 20 30 DHEDRM C=CCCC(C)(C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001588777777 984158072 /nfs/dbraw/zinc/15/80/72/984158072.db2.gz JXNUKSIOWPILPZ-UHFFFAOYSA-N -1 0 312.316 3.529 20 30 DHEDRM C=CCCC(C)(C)NC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001588778184 984159962 /nfs/dbraw/zinc/15/99/62/984159962.db2.gz WVTYUUKLWSJOOV-UHFFFAOYSA-N -1 0 310.419 3.929 20 30 DHEDRM C=CCC[C@H]1CCCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001588781804 984168359 /nfs/dbraw/zinc/16/83/59/984168359.db2.gz HZYBBLQUZSBJTL-LBPRGKRZSA-N -1 0 320.364 3.795 20 30 DHEDRM C=CCCC[C@H](NC(=O)C(C)(C)c1cccc(Cl)c1)C(=O)[O-] ZINC001588785474 984180716 /nfs/dbraw/zinc/18/07/16/984180716.db2.gz HISNHLSCANJBTF-AWEZNQCLSA-N -1 0 323.820 3.543 20 30 DHEDRM C=CCCCCCCNC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588798369 984235552 /nfs/dbraw/zinc/23/55/52/984235552.db2.gz CEFCVCSDFXDHDE-UHFFFAOYSA-N -1 0 322.405 3.564 20 30 DHEDRM C=CCCCCCOc1ccc(Br)nc1C(=O)[O-] ZINC001588799799 984241932 /nfs/dbraw/zinc/24/19/32/984241932.db2.gz IWLFVSOBKCPBFW-UHFFFAOYSA-N -1 0 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C=C(C)C(=O)OC[C@@H](C)Oc1cc(Cl)c(O)cc1Cl ZINC001227641540 1017127767 /nfs/dbraw/zinc/12/77/67/1017127767.db2.gz PBNMRJZKGUHSPF-MRVPVSSYSA-N -1 0 305.157 3.586 20 30 DHEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1csc(Cl)c1 ZINC000588559747 1017878070 /nfs/dbraw/zinc/87/80/70/1017878070.db2.gz YZZCEFVAPPFIHZ-RQOWECAXSA-N -1 0 309.730 3.911 20 30 DHEDRM N#Cc1cccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2Cl)c1 ZINC000588559786 1017878591 /nfs/dbraw/zinc/87/85/91/1017878591.db2.gz HQYYRDSHFIVKHM-FPLPWBNLSA-N -1 0 311.724 3.806 20 30 DHEDRM COc1ccc2oc(/C=C\c3nc(C(=O)[O-])ccc3C#N)cc2c1 ZINC000343077083 1018100690 /nfs/dbraw/zinc/10/06/90/1018100690.db2.gz PUBACXFUZHAZJQ-UTCJRWHESA-N -1 0 320.304 3.577 20 30 DHEDRM CCn1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cn1 ZINC000114618418 1018106659 /nfs/dbraw/zinc/10/66/59/1018106659.db2.gz DNVXZBDVDOVLOL-CQSZACIVSA-N -1 0 322.393 3.517 20 30 DHEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1cc2c(s1)CCC2 ZINC000764641862 1018338723 /nfs/dbraw/zinc/33/87/23/1018338723.db2.gz 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Cc1ccc([C@@H](O)C/N=C/c2cc(Cl)cc(Cl)c2[O-])o1 ZINC000741165402 1020987573 /nfs/dbraw/zinc/98/75/73/1020987573.db2.gz MFOMMUJLHJLWDC-KLJFIRRPSA-N -1 0 314.168 3.753 20 30 DHEDRM CS[C@@H]1CC[C@@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000743041906 1021206574 /nfs/dbraw/zinc/20/65/74/1021206574.db2.gz GKVLYBQJPVBTAB-RQFZQORDSA-N -1 0 314.794 3.657 20 30 DHEDRM Cc1occc1C(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000069603868 1021241826 /nfs/dbraw/zinc/24/18/26/1021241826.db2.gz PLQANBXHHOZDQK-UHFFFAOYSA-N -1 0 321.398 3.515 20 30 DHEDRM CCCn1c(C=NNc2ccccc2C(=O)[O-])nc2ccccc21 ZINC000917542637 1021289770 /nfs/dbraw/zinc/28/97/70/1021289770.db2.gz JJUALVHRUDQQOY-UHFFFAOYSA-N -1 0 322.368 3.591 20 30 DHEDRM CCNc1ccc(Cl)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000189187602 1021343075 /nfs/dbraw/zinc/34/30/75/1021343075.db2.gz LCBLEUDWVLOXEQ-UHFFFAOYSA-N -1 0 315.760 3.601 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnc3cc[nH]c3c2)n1 ZINC000892803449 1021626958 /nfs/dbraw/zinc/62/69/58/1021626958.db2.gz SBJJNALEEYLDMU-LLVKDONJSA-N -1 0 310.382 3.633 20 30 DHEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2ccccc2F)c1)C(=O)[O-] ZINC000745020052 1021638547 /nfs/dbraw/zinc/63/85/47/1021638547.db2.gz ATAMCWZTUKOSSF-ZWLSGLHFSA-N -1 0 314.312 3.574 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2cc3cccc(F)c3o2)n1 ZINC000122402752 1021702570 /nfs/dbraw/zinc/70/25/70/1021702570.db2.gz BLUUPOLJRNQWSY-JTQLQIEISA-N -1 0 300.314 3.827 20 30 DHEDRM Cc1ccc(C(=O)/C=C\c2cccc(O[C@@H](C)C(=O)[O-])c2)cc1 ZINC000208111523 1021714052 /nfs/dbraw/zinc/71/40/52/1021714052.db2.gz ZXQWTZSPXDVWRP-MSKHEQNASA-N -1 0 310.349 3.743 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2OC2CCC2)n1 ZINC000118598836 1021756837 /nfs/dbraw/zinc/75/68/37/1021756837.db2.gz FNODEBKCGRKKIW-CQSZACIVSA-N -1 0 312.394 3.873 20 30 DHEDRM Oc1ccc(Cl)cc1/C=N/CCOc1ncccc1Cl ZINC000155039026 1021828175 /nfs/dbraw/zinc/82/81/75/1021828175.db2.gz LYXGUCKUVYESNS-RQZCQDPDSA-N -1 0 311.168 3.592 20 30 DHEDRM C[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1 ZINC000920178560 1022068968 /nfs/dbraw/zinc/06/89/68/1022068968.db2.gz TWKUQBUOFHXBQD-VDCVXVNISA-N -1 0 302.305 3.662 20 30 DHEDRM CC(C)(C)c1nc(C=NNc2ccc(C(=O)[O-])cc2)cs1 ZINC000920359875 1022108965 /nfs/dbraw/zinc/10/89/65/1022108965.db2.gz RIWKUWLRTATKOV-UHFFFAOYSA-N -1 0 303.387 3.585 20 30 DHEDRM CCSc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccn1 ZINC000183516470 1022165174 /nfs/dbraw/zinc/16/51/74/1022165174.db2.gz HDWZCVFSVFFAHQ-LBPRGKRZSA-N -1 0 323.377 3.825 20 30 DHEDRM Cc1c(N=NC[C@H]2CCN(c3ccccc3)C2)cccc1C(=O)[O-] ZINC000853370141 1022264906 /nfs/dbraw/zinc/26/49/06/1022264906.db2.gz DUMLXBJQVLFGMG-OAHLLOKOSA-N -1 0 323.396 3.617 20 30 DHEDRM C[C@@H]1C(N=Nc2ccc(Cl)cn2)CC[C@H](C(=O)[O-])C1(C)C ZINC000853435974 1022270705 /nfs/dbraw/zinc/27/07/05/1022270705.db2.gz VJWDHZUKEQMBPC-MWLCHTKSSA-N -1 0 309.797 3.660 20 30 DHEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)=NOCC1CCC1 ZINC000853440996 1022272910 /nfs/dbraw/zinc/27/29/10/1022272910.db2.gz MPKMNYUSUCHEJI-CQSZACIVSA-N -1 0 319.401 3.664 20 30 DHEDRM COC(=O)c1scc(C#N)c1Nc1ccc(Cl)c([O-])c1 ZINC001212589644 1022371480 /nfs/dbraw/zinc/37/14/80/1022371480.db2.gz XAEHGIITUHZJID-UHFFFAOYSA-N -1 0 308.746 3.509 20 30 DHEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1)C1CC1 ZINC000064665342 1022389869 /nfs/dbraw/zinc/38/98/69/1022389869.db2.gz OSWFMOWMVHHXOX-LBPRGKRZSA-N -1 0 317.410 3.921 20 30 DHEDRM Cc1cccc2c1[C@H](C)/C(=C\c1cc([O-])ccc1[N+](=O)[O-])C2=O ZINC000766695690 1022402211 /nfs/dbraw/zinc/40/22/11/1022402211.db2.gz LTFVWTPEBMBTAR-BTAWCLGRSA-N -1 0 309.321 3.992 20 30 DHEDRM Cc1cccc2c1[C@H](C)/C(=C/c1ccc([N+](=O)[O-])c([O-])c1)C2=O ZINC000766696355 1022402677 /nfs/dbraw/zinc/40/26/77/1022402677.db2.gz RHGKJTVIACFNPR-ZEVOCZHWSA-N -1 0 309.321 3.992 20 30 DHEDRM CCC(CC)n1ncc(C([O-])=C(C#N)c2nc(C)cs2)c1C ZINC000156204528 1022445483 /nfs/dbraw/zinc/44/54/83/1022445483.db2.gz ZMNNXMRCUPVCRG-ZDUSSCGKSA-N -1 0 316.430 3.808 20 30 DHEDRM N#Cc1ccc([O-])c(NC(=O)C2(c3cccc(Cl)c3)CC2)c1 ZINC000179730273 1022518137 /nfs/dbraw/zinc/51/81/37/1022518137.db2.gz GOEILPIMUPRGFI-UHFFFAOYSA-N -1 0 312.756 3.588 20 30 DHEDRM C[C@@H](CC(F)(F)F)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000766924022 1022610395 /nfs/dbraw/zinc/61/03/95/1022610395.db2.gz UOOWOLKQSATOAR-LURJTMIESA-N -1 0 317.204 3.514 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCCc3sccc32)c1 ZINC000767338416 1022689233 /nfs/dbraw/zinc/68/92/33/1022689233.db2.gz OKWZIFUKFKMATR-BPKVKKHESA-N -1 0 302.355 3.858 20 30 DHEDRM COc1ccc(C(=O)/C=C/c2cccc3cnccc23)c([O-])c1 ZINC000180932660 1022890324 /nfs/dbraw/zinc/89/03/24/1022890324.db2.gz QJJOWFYJUUTZCR-VMPITWQZSA-N -1 0 305.333 3.845 20 30 DHEDRM CCCc1nc(C)c(C([O-])=C(C#N)c2ccc3ccccc3n2)o1 ZINC000644786631 1022910350 /nfs/dbraw/zinc/91/03/50/1022910350.db2.gz FJRWHTJHUPMBET-CQSZACIVSA-N -1 0 319.364 3.974 20 30 DHEDRM Cc1cc(Cl)nc(Nc2ccc(C(=O)[O-])c(C)c2)c1C#N ZINC001211654937 1022943790 /nfs/dbraw/zinc/94/37/90/1022943790.db2.gz FUODHHCIRMNLML-UHFFFAOYSA-N -1 0 301.733 3.665 20 30 DHEDRM CCC(CC)n1nc(C([O-])=C(C#N)c2nc(C)cs2)cc1C ZINC000181097457 1022944214 /nfs/dbraw/zinc/94/42/14/1022944214.db2.gz CTOCDNWJDIRTRZ-ZDUSSCGKSA-N -1 0 316.430 3.808 20 30 DHEDRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cccc(OC)c1 ZINC000069367223 1023036676 /nfs/dbraw/zinc/03/66/76/1023036676.db2.gz IUZKFIHUCUZTRS-LBPRGKRZSA-N -1 0 313.419 3.557 20 30 DHEDRM O=c1[n-]c(N=NC2CC[C@H]2c2ccccc2)nc2ccccc21 ZINC000769792450 1023215538 /nfs/dbraw/zinc/21/55/38/1023215538.db2.gz IINPARSTLCFZGS-ZDUSSCGKSA-N -1 0 304.353 3.681 20 30 DHEDRM CCC1(CC)[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])[C@H](C)[C@H]1OC ZINC000770568556 1023324525 /nfs/dbraw/zinc/32/45/25/1023324525.db2.gz MJVBCNLLLQNZDQ-JWCDYJIOSA-N -1 0 320.389 3.559 20 30 DHEDRM C=CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(Cl)c1O ZINC000124685508 1023350243 /nfs/dbraw/zinc/35/02/43/1023350243.db2.gz UIIAQPOQPFKCEE-INIZCTEOSA-N -1 0 314.772 3.798 20 30 DHEDRM Cc1cc(Nc2cc(F)c(F)c(C#N)c2F)ccc1C(=O)[O-] ZINC001211663475 1023433200 /nfs/dbraw/zinc/43/32/00/1023433200.db2.gz LKUOZRLSDWMNNO-UHFFFAOYSA-N -1 0 306.243 3.726 20 30 DHEDRM Cn1cc(/C=C/C(=O)c2ccc(F)cc2[O-])c(-c2ccccc2)n1 ZINC000771524714 1023448658 /nfs/dbraw/zinc/44/86/58/1023448658.db2.gz MQJWZBWSSTYBBC-JXMROGBWSA-N -1 0 322.339 3.828 20 30 DHEDRM CCOc1ncccc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000093243482 1023549141 /nfs/dbraw/zinc/54/91/41/1023549141.db2.gz KHZRUYVVOOQFPX-LBPRGKRZSA-N -1 0 323.377 3.580 20 30 DHEDRM Cc1ccc2c(c1)C/C(=C/c1cccc(OCCC(=O)[O-])c1)C2=O ZINC000746684287 1023795536 /nfs/dbraw/zinc/79/55/36/1023795536.db2.gz MWWACKKRHBZYIC-YBEGLDIGSA-N -1 0 322.360 3.671 20 30 DHEDRM Cc1ccc(C(=O)/C=C\c2cccc(OCCC(=O)[O-])c2)s1 ZINC000746683572 1023795541 /nfs/dbraw/zinc/79/55/41/1023795541.db2.gz DHBXJENCOTXQTH-SREVYHEPSA-N -1 0 316.378 3.806 20 30 DHEDRM C=C1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000652410328 1023850916 /nfs/dbraw/zinc/85/09/16/1023850916.db2.gz ZSHTXRKQLFSORW-ZDUSSCGKSA-N -1 0 300.185 3.771 20 30 DHEDRM N#Cc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)c(Cl)c1 ZINC000788359901 1023876528 /nfs/dbraw/zinc/87/65/28/1023876528.db2.gz FXTDYMPYGLFKHB-RQOWECAXSA-N -1 0 317.753 3.867 20 30 DHEDRM Cc1ccc(C(=O)/C=C\c2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000206733482 1023933409 /nfs/dbraw/zinc/93/34/09/1023933409.db2.gz BWIDPVVOBTYMMF-WDZFZDKYSA-N -1 0 310.349 3.745 20 30 DHEDRM O=C([O-])[C@@H]1CCC(N=Nc2cc(Cl)ccn2)c2ccccc21 ZINC000789036557 1023976817 /nfs/dbraw/zinc/97/68/17/1023976817.db2.gz GINZEHGDISTXCA-CYBMUJFWSA-N -1 0 315.760 3.513 20 30 DHEDRM O=C(/C=C\c1nccn1-c1ccccc1)c1ccc(F)cc1[O-] ZINC000790221834 1024254571 /nfs/dbraw/zinc/25/45/71/1024254571.db2.gz IADVSGCTRMQFJC-HJWRWDBZSA-N -1 0 308.312 3.613 20 30 DHEDRM Cc1ccc(C(=O)/C=C/c2nccn2-c2ccccc2)c([O-])c1 ZINC000790222457 1024256968 /nfs/dbraw/zinc/25/69/68/1024256968.db2.gz QXCPWEDXBLXODL-MDZDMXLPSA-N -1 0 304.349 3.782 20 30 DHEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N/C[C@H](O)Cc1ccccc1 ZINC000103716923 1033499974 /nfs/dbraw/zinc/49/99/74/1033499974.db2.gz MDXLRDJTBCWMHY-MRGVZLDZSA-N -1 0 324.207 3.722 20 30 DHEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cncc(Cl)c2)s1 ZINC000453781950 1024589067 /nfs/dbraw/zinc/58/90/67/1024589067.db2.gz TVDCPDFMJDNBLX-NSHDSACASA-N -1 0 319.817 3.979 20 30 DHEDRM N#CC(=C([O-])c1cccc2c[nH]nc21)c1nccc2ccccc21 ZINC000792092527 1024630127 /nfs/dbraw/zinc/63/01/27/1024630127.db2.gz CQHOGUQJKMCWCP-MRXNPFEDSA-N -1 0 312.332 3.601 20 30 DHEDRM C=CCOc1ccc(CNc2cc(C(=O)[O-])ccc2OC)cc1 ZINC000020879523 1024632734 /nfs/dbraw/zinc/63/27/34/1024632734.db2.gz DNKVMWCPUKIHPP-UHFFFAOYSA-N -1 0 313.353 3.570 20 30 DHEDRM Cc1ncoc1C([O-])=C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000349303945 1024698678 /nfs/dbraw/zinc/69/86/78/1024698678.db2.gz ZWNHEVFGBOGUCX-ZDUSSCGKSA-N -1 0 323.377 3.905 20 30 DHEDRM Cc1[nH]c2ccccc2c1C(=O)/C=C\c1cc([O-])ccc1[N+](=O)[O-] ZINC000772804915 1024720814 /nfs/dbraw/zinc/72/08/14/1024720814.db2.gz DGDZUUQHGYSRDF-TWGQIWQCSA-N -1 0 322.320 3.986 20 30 DHEDRM CC[C@H](NN=Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000793072837 1024876167 /nfs/dbraw/zinc/87/61/67/1024876167.db2.gz 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CC(C)n1cc(/C=C/C(=O)c2ccc3ccccc3c2[O-])nn1 ZINC000806573920 1025931526 /nfs/dbraw/zinc/93/15/26/1025931526.db2.gz WPZSVRSJTWTPQS-CSKARUKUSA-N -1 0 307.353 3.614 20 30 DHEDRM Cc1ccccc1-c1n[n-]c(=S)n1N=Cc1cccc(O)c1 ZINC000263629245 1026025786 /nfs/dbraw/zinc/02/57/86/1026025786.db2.gz UYUITPCYFSMPPF-UHFFFAOYSA-N -1 0 310.382 3.504 20 30 DHEDRM Oc1ccc(Br)cc1/C=N/C1CCC2(COC2)CC1 ZINC000887270390 1026164615 /nfs/dbraw/zinc/16/46/15/1026164615.db2.gz MYYHTCAASGEGBT-CAOOACKPSA-N -1 0 324.218 3.533 20 30 DHEDRM O=C([O-])c1cc(/C=C\C(=O)c2ccccc2Cl)ccc1O ZINC000809152132 1026467102 /nfs/dbraw/zinc/46/71/02/1026467102.db2.gz NCOVWLSORSCHIH-ALCCZGGFSA-N -1 0 302.713 3.640 20 30 DHEDRM C[C@H](Oc1cccc(/C=C2\C(=O)c3ccccc3[C@H]2C)c1)C(=O)[O-] ZINC000809156574 1026470351 /nfs/dbraw/zinc/47/03/51/1026470351.db2.gz MBUOYAFYPVGFHU-NLKYIXICSA-N -1 0 322.360 3.922 20 30 DHEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(C2CCCC2)cc1 ZINC000810536640 1026783381 /nfs/dbraw/zinc/78/33/81/1026783381.db2.gz 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CC(=NNc1cccc(C)c1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814687914 1028167927 /nfs/dbraw/zinc/16/79/27/1028167927.db2.gz XSJITWRWGCPORP-CQSZACIVSA-N -1 0 312.369 3.683 20 30 DHEDRM O=C(C[C@H]1C=CCC1)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000048615035 1028168683 /nfs/dbraw/zinc/16/86/83/1028168683.db2.gz FAVBKQHDEVYGFH-ZDUSSCGKSA-N -1 0 319.426 3.567 20 30 DHEDRM CCC(=[NH+][N-]c1ccc(Cl)c(C(=O)[O-])c1)c1cccc(N)c1 ZINC000814689918 1028171415 /nfs/dbraw/zinc/17/14/15/1028171415.db2.gz LXCFTQSZMOKWAT-UHFFFAOYSA-N -1 0 317.776 3.847 20 30 DHEDRM C[C@@H]1C(N=Nc2cccc([N+](=O)[O-])c2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814694591 1028171611 /nfs/dbraw/zinc/17/16/11/1028171611.db2.gz QRHCBRWNCMCPDX-ZWNOBZJWSA-N -1 0 319.361 3.520 20 30 DHEDRM CC(N=Nc1ccccc1F)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814790488 1028207055 /nfs/dbraw/zinc/20/70/55/1028207055.db2.gz USUCMHNIBKPKRU-LBPRGKRZSA-N -1 0 316.332 3.514 20 30 DHEDRM Cc1cc(C)c(C(=O)[O-])cc1C=NNCc1cccc(Cl)c1 ZINC000814868179 1028253393 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ZINC000530475901 1029860155 /nfs/dbraw/zinc/86/01/55/1029860155.db2.gz XULDBQZNSYJWBO-CLTKARDFSA-N -1 0 300.264 3.759 20 30 DHEDRM CCc1ccccc1NN=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794896900 1030149772 /nfs/dbraw/zinc/14/97/72/1030149772.db2.gz MQIIDMHHRCUROU-ZDUSSCGKSA-N -1 0 312.369 3.547 20 30 DHEDRM C#CC[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000823506357 1030309905 /nfs/dbraw/zinc/30/99/05/1030309905.db2.gz NPDTYYIRSRQYRF-SNVBAGLBSA-N -1 0 312.196 3.575 20 30 DHEDRM O=C(/C=C\c1c(F)ccc(O)c1F)c1cc(F)cc(F)c1[O-] ZINC000794940842 1030426159 /nfs/dbraw/zinc/42/61/59/1030426159.db2.gz DDLNARCJIZKSOW-IWQZZHSRSA-N -1 0 312.218 3.550 20 30 DHEDRM CC(C)(C)c1csc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)n1 ZINC000870115770 1030924091 /nfs/dbraw/zinc/92/40/91/1030924091.db2.gz JLNIBLPWHSFIED-JTQLQIEISA-N -1 0 324.409 3.807 20 30 DHEDRM CC(=CC(=O)[N-]S(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000208045163 1030935423 /nfs/dbraw/zinc/93/54/23/1030935423.db2.gz YECGYFOAORRLJJ-VAWYXSNFSA-N -1 0 319.357 3.574 20 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ZINC000429686957 338087196 /nfs/dbraw/zinc/08/71/96/338087196.db2.gz QFKHUPCEJVKORQ-MRVPVSSYSA-N -1 0 319.798 3.896 20 30 DHEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cc(C#N)cs2)s1 ZINC000430613297 338109862 /nfs/dbraw/zinc/10/98/62/338109862.db2.gz VGSLUUKWWAESAJ-SNVBAGLBSA-N -1 0 315.423 3.864 20 30 DHEDRM CC(C)c1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)n[nH]1 ZINC000430621004 338110051 /nfs/dbraw/zinc/11/00/51/338110051.db2.gz CSDARBDQGVFJSF-JTQLQIEISA-N -1 0 316.430 3.777 20 30 DHEDRM C=CCCS(=O)(=O)[N-]c1cc(F)ccc1Oc1ccccc1 ZINC000431187029 338125351 /nfs/dbraw/zinc/12/53/51/338125351.db2.gz LXCRCICWDKYQQE-UHFFFAOYSA-N -1 0 321.373 3.936 20 30 DHEDRM N#Cc1c(F)ccc(/C=C\c2ncc(C(=O)[O-])s2)c1Cl ZINC000431550167 338133507 /nfs/dbraw/zinc/13/35/07/338133507.db2.gz KKYVCKKIOCHXGN-RQOWECAXSA-N -1 0 308.721 3.676 20 30 DHEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc(C(F)(F)F)s1 ZINC000431570565 338133978 /nfs/dbraw/zinc/13/39/78/338133978.db2.gz NHAFAWPUSFKWFQ-GORDUTHDSA-N -1 0 324.283 3.902 20 30 DHEDRM Cc1oc(C#N)cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000435774545 338248565 /nfs/dbraw/zinc/24/85/65/338248565.db2.gz RRUNRNYDMCQQAO-GFCCVEGCSA-N -1 0 313.382 3.704 20 30 DHEDRM C=CCOc1cccc(NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000436710706 338283674 /nfs/dbraw/zinc/28/36/74/338283674.db2.gz XTIKZRSMDFZXEF-UHFFFAOYSA-N -1 0 303.745 3.863 20 30 DHEDRM C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc3ccccc3cc2O)C1 ZINC000436723250 338284115 /nfs/dbraw/zinc/28/41/15/338284115.db2.gz LBDWYEJJRNIQAZ-YJYMSZOUSA-N -1 0 308.381 3.748 20 30 DHEDRM C[C@H]1CCC[C@@](C#N)(NC(=O)c2cc3ccccc3cc2O)C1 ZINC000436723248 338284145 /nfs/dbraw/zinc/28/41/45/338284145.db2.gz LBDWYEJJRNIQAZ-ORAYPTAESA-N -1 0 308.381 3.748 20 30 DHEDRM CCCn1c2ccc(C#N)cc2nc1-c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436742107 338285028 /nfs/dbraw/zinc/28/50/28/338285028.db2.gz UVXPTXAOQVPCKN-UHFFFAOYSA-N -1 0 322.324 3.599 20 30 DHEDRM CCc1c2ccccc2oc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000453580720 338849139 /nfs/dbraw/zinc/84/91/39/338849139.db2.gz 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/nfs/dbraw/zinc/21/47/29/341214729.db2.gz GWQXAOOMSGAMID-JTQLQIEISA-N -1 0 311.366 3.727 20 30 DHEDRM N#Cc1ccc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)cc1 ZINC000080001991 341268417 /nfs/dbraw/zinc/26/84/17/341268417.db2.gz IVIDVRIEULIDJA-UHFFFAOYSA-N -1 0 321.163 3.501 20 30 DHEDRM CCOc1ccc(O)c(C=Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000737204299 600056400 /nfs/dbraw/zinc/05/64/00/600056400.db2.gz YJFSTOMEAQQMIO-UHFFFAOYSA-N -1 0 318.304 3.771 20 30 DHEDRM O=C([O-])c1ccc(/C=C2\CCOc3c(Cl)cccc3C2=O)o1 ZINC000740122418 600247035 /nfs/dbraw/zinc/24/70/35/600247035.db2.gz CMPHTYFVLXOZJP-CMDGGOBGSA-N -1 0 318.712 3.680 20 30 DHEDRM C=CCCCN(C)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000736097327 600276816 /nfs/dbraw/zinc/27/68/16/600276816.db2.gz HDIXFMOSMNSMLV-UHFFFAOYSA-N -1 0 320.389 3.602 20 30 DHEDRM N#C[C@@H](Cc1ccccc1)Sc1nc2ccc(C(=O)[O-])cc2o1 ZINC000739075383 600279013 /nfs/dbraw/zinc/27/90/13/600279013.db2.gz SFPNZASPDLWHPL-CYBMUJFWSA-N -1 0 324.361 3.753 20 30 DHEDRM C=C(C)CNC(=S)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000736094411 600446042 /nfs/dbraw/zinc/44/60/42/600446042.db2.gz FEVDYQRYDVNWQA-UHFFFAOYSA-N -1 0 312.460 3.606 20 30 DHEDRM O=C([O-])C[C@H](/N=C\c1cc(Cl)ccc1O)c1ccccc1 ZINC000739627454 600494665 /nfs/dbraw/zinc/49/46/65/600494665.db2.gz YVEXYJRDWZHHKW-KPYNCUPYSA-N -1 0 303.745 3.681 20 30 DHEDRM CC[C@H](C)Oc1cccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736886370 600595471 /nfs/dbraw/zinc/59/54/71/600595471.db2.gz ISVKSDJIHLFIBE-SCLBCKFNSA-N -1 0 324.380 3.973 20 30 DHEDRM CC(C)OCc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736485858 600595547 /nfs/dbraw/zinc/59/55/47/600595547.db2.gz DSCJXHJAXOBAEF-SFHVURJKSA-N -1 0 324.380 3.721 20 30 DHEDRM CC[C@@H](C)Oc1cccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736886368 600595775 /nfs/dbraw/zinc/59/57/75/600595775.db2.gz ISVKSDJIHLFIBE-ACJLOTCBSA-N -1 0 324.380 3.973 20 30 DHEDRM C=CCCCCCN(C)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000736097320 600624465 /nfs/dbraw/zinc/62/44/65/600624465.db2.gz 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601791452 /nfs/dbraw/zinc/79/14/52/601791452.db2.gz PGVDSICGVQNJDC-RJRFIUFISA-N -1 0 310.136 3.916 20 30 DHEDRM O=C([O-])c1cc(/C=C/C(=O)c2cccc(Cl)c2Cl)c[nH]1 ZINC000833298480 601793418 /nfs/dbraw/zinc/79/34/18/601793418.db2.gz WHOJAJSERFUJDG-SNAWJCMRSA-N -1 0 310.136 3.916 20 30 DHEDRM Cc1cc2cc(C(=O)/C=C/c3c[nH]c(C(=O)[O-])c3)oc2cc1C ZINC000832905370 601794070 /nfs/dbraw/zinc/79/40/70/601794070.db2.gz DYWGTXHAPBRBDZ-ONEGZZNKSA-N -1 0 309.321 3.972 20 30 DHEDRM C[C@H](Oc1ccc(C=NNc2ccccc2Cl)cc1)C(=O)[O-] ZINC000794862996 602065720 /nfs/dbraw/zinc/06/57/20/602065720.db2.gz XPRVIQKTBQVHPD-NSHDSACASA-N -1 0 318.760 3.638 20 30 DHEDRM C[C@@H](Oc1ccc(/C=C\C(=O)c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000794692126 602105680 /nfs/dbraw/zinc/10/56/80/602105680.db2.gz UXDJAIIHPFFBRF-CSXHZRMWSA-N -1 0 314.312 3.574 20 30 DHEDRM Cc1ccccc1C(=O)/C=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000832976154 602107621 /nfs/dbraw/zinc/10/76/21/602107621.db2.gz GWUYIFVJRXATRC-UQTJOTSZSA-N -1 0 310.349 3.743 20 30 DHEDRM 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CCC(CCC(F)(F)F)N=Nc1ccc(CC(=O)[O-])cc1 ZINC000872387264 980074754 /nfs/dbraw/zinc/07/47/54/980074754.db2.gz ODWNCINXSUANIP-UHFFFAOYSA-N -1 0 302.296 3.834 20 30 DHEDRM C=CC1(CC(=O)Nc2cccc(C(=O)[O-])c2OC)CCCCC1 ZINC000906500713 981170015 /nfs/dbraw/zinc/17/00/15/981170015.db2.gz MGGIMXHNCGVGRE-UHFFFAOYSA-N -1 0 317.385 3.859 20 30 DHEDRM C=C[C@@H](CC)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000907608275 981199489 /nfs/dbraw/zinc/19/94/89/981199489.db2.gz FCOQIBOAMMMXRA-FZMZJTMJSA-N -1 0 309.793 3.574 20 30 DHEDRM C=C1CC(C)(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000909224367 981436371 /nfs/dbraw/zinc/43/63/71/981436371.db2.gz LHBRJHJVHFYZRH-UHFFFAOYSA-N -1 0 319.426 3.689 20 30 DHEDRM CCCC[C@H](SCCCOc1cccc(C#N)c1)C(=O)[O-] ZINC001595654980 982042361 /nfs/dbraw/zinc/04/23/61/982042361.db2.gz GWUNWLUIRLFWPZ-HNNXBMFYSA-N -1 0 307.415 3.704 20 30 DHEDRM CCCCCCCCC(=O)N(CC)c1ncc(C(=O)[O-])s1 ZINC001595704649 982277940 /nfs/dbraw/zinc/27/79/40/982277940.db2.gz FXPXLOKSEHPPPO-UHFFFAOYSA-N -1 0 312.435 3.945 20 30 DHEDRM CCCCCCCC[C@@H](C)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001595704870 982280916 /nfs/dbraw/zinc/28/09/16/982280916.db2.gz KTICPTGIMJMKGK-BSXFFOKHSA-N -1 0 309.450 3.743 20 30 DHEDRM CCCCCCCC[C@H](C)C(=O)Nc1cc(C(=O)[O-])c[nH]c1=O ZINC001595705147 982282732 /nfs/dbraw/zinc/28/27/32/982282732.db2.gz QCZNRSMKGMGUNA-LBPRGKRZSA-N -1 0 322.405 3.811 20 30 DHEDRM CCCCCCCC[C@@H](C)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001595705260 982283892 /nfs/dbraw/zinc/28/38/92/982283892.db2.gz TUCXQQMPVIZHQM-VKJFTORMSA-N -1 0 311.466 3.942 20 30 DHEDRM CCCCCCCCCN(C)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001595705451 982285674 /nfs/dbraw/zinc/28/56/74/982285674.db2.gz ZXZOJWHFEAMITM-VKJFTORMSA-N -1 0 324.465 3.632 20 30 DHEDRM CCCCCCCCC/C=C\C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001595705446 982285831 /nfs/dbraw/zinc/28/58/31/982285831.db2.gz ZWOWWSNYLJANAN-PBARLCFESA-N -1 0 313.413 3.707 20 30 DHEDRM N#CC1(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CC2(CC2)C1 ZINC000923105301 982727977 /nfs/dbraw/zinc/72/79/77/982727977.db2.gz QUEBQKLLYHZJNQ-UHFFFAOYSA-N -1 0 320.348 3.560 20 30 DHEDRM C#C[C@@H](Nc1ncc(C(=O)[O-])cc1C(F)(F)F)c1ccccc1 ZINC001588376246 983350775 /nfs/dbraw/zinc/35/07/75/983350775.db2.gz RJDWRCPBCFNMSM-CYBMUJFWSA-N -1 0 320.270 3.585 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])C=Cc2ccnc3ccccc23)n1 ZINC000255316059 1014940154 /nfs/dbraw/zinc/94/01/54/1014940154.db2.gz JKYGHWJXUTYGJK-IDTUSYRASA-N -1 0 319.389 3.889 20 30 DHEDRM CCN(C[C@@H](C)C#N)[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001596231108 983625721 /nfs/dbraw/zinc/62/57/21/983625721.db2.gz GXIMRGPZZWHZIM-TVQRCGJNSA-N -1 0 315.200 3.601 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N(CC(C)C)c1ccc(CC)cc1 ZINC001588611860 983700679 /nfs/dbraw/zinc/70/06/79/983700679.db2.gz AQTNVSDYQRCQDF-UHFFFAOYSA-N -1 0 303.402 3.659 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(C(F)(F)F)c(F)cc1C ZINC001588629374 983736948 /nfs/dbraw/zinc/73/69/48/983736948.db2.gz JIQXTKRGPQTUDE-UHFFFAOYSA-N -1 0 319.254 3.512 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001588630372 983743347 /nfs/dbraw/zinc/74/33/47/983743347.db2.gz JOUODJMULGHSOQ-SECBINFHSA-N -1 0 316.184 3.592 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(OCCC(C)C)c(F)c1 ZINC001588633331 983748811 /nfs/dbraw/zinc/74/88/11/983748811.db2.gz FWKOEQUOBZACFD-UHFFFAOYSA-N -1 0 323.364 3.610 20 30 DHEDRM C=CC(C)(C)CC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001588673352 983829878 /nfs/dbraw/zinc/82/98/78/983829878.db2.gz RKPAVKBDDHXGJH-UHFFFAOYSA-N -1 0 316.401 3.526 20 30 DHEDRM C=C[C@H](CC(=O)OC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC001588690982 983877723 /nfs/dbraw/zinc/87/77/23/983877723.db2.gz NVNHSKKMCLHYBF-IUDNXUCKSA-N -1 0 302.370 3.533 20 30 DHEDRM C=C[C@@H](Sc1nc2ccccc2n1-c1ccccc1)C(=O)[O-] ZINC001588714242 983950656 /nfs/dbraw/zinc/95/06/56/983950656.db2.gz CVDZNIRJYWBRNE-OAHLLOKOSA-N -1 0 310.378 3.757 20 30 DHEDRM C=CC[C@@H](C(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC001588721368 983971716 /nfs/dbraw/zinc/97/17/16/983971716.db2.gz NYDJABFGCBUDHZ-QGZVFWFLSA-N -1 0 309.365 3.612 20 30 DHEDRM C=CC[C@H](C)NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001588736012 984021946 /nfs/dbraw/zinc/02/19/46/984021946.db2.gz QCGIHDNEYDBQKD-ZDUSSCGKSA-N -1 0 309.365 3.746 20 30 DHEDRM C=CC[C@@H](Sc1nc(C)nc2sc(C)c(C)c21)C(=O)[O-] ZINC001588757759 984104271 /nfs/dbraw/zinc/10/42/71/984104271.db2.gz CEXAQWZAGFKPRS-SNVBAGLBSA-N -1 0 308.428 3.738 20 30 DHEDRM C=CC[C@H](Sc1ncnc2sc3c(c21)CCCC3)C(=O)[O-] ZINC001588759699 984113511 /nfs/dbraw/zinc/11/35/11/984113511.db2.gz ZCHRNTPNYCAOSG-NSHDSACASA-N -1 0 320.439 3.692 20 30 DHEDRM C=CCC1(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CCCC1 ZINC001588765053 984124852 /nfs/dbraw/zinc/12/48/52/984124852.db2.gz PHOQRRFDZWHQAT-UHFFFAOYSA-N -1 0 309.312 3.738 20 30 DHEDRM C=CCC1(C(=O)OCc2c(F)cc(C(=O)[O-])cc2F)CCCC1 ZINC001588767328 984130123 /nfs/dbraw/zinc/13/01/23/984130123.db2.gz VLWNLKPXGZTSHG-UHFFFAOYSA-N -1 0 324.323 3.843 20 30 DHEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001588771503 984140334 /nfs/dbraw/zinc/14/03/34/984140334.db2.gz WERYGHZAWDCDFU-CZUORRHYSA-N -1 0 316.401 3.950 20 30 DHEDRM C=CC[C@H]1CCN1[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001588772222 984141979 /nfs/dbraw/zinc/14/19/79/984141979.db2.gz ASVVHEVWMPRGBN-GXFFZTMASA-N -1 0 300.185 3.770 20 30 DHEDRM C=CC[C@H]1CCN(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)C1 ZINC001588772308 984142609 /nfs/dbraw/zinc/14/26/09/984142609.db2.gz CQNAZFSJRLGGAR-NSHDSACASA-N -1 0 320.414 3.537 20 30 DHEDRM C=CC[C@@H]1CCN(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C1 ZINC001588772887 984145300 /nfs/dbraw/zinc/14/53/00/984145300.db2.gz PFKCZGLLNROJIE-CYBMUJFWSA-N -1 0 324.380 3.968 20 30 DHEDRM C=CC[C@@H]1N(C(=O)Cc2ccc(C(=O)[O-])cc2)CCCC1(C)C ZINC001588772947 984146043 /nfs/dbraw/zinc/14/60/43/984146043.db2.gz RGJHMBUJWCHBMT-INIZCTEOSA-N -1 0 315.413 3.521 20 30 DHEDRM C=CCC[C@@H]1CCCN1C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001588781523 984166358 /nfs/dbraw/zinc/16/63/58/984166358.db2.gz ASZZRHCXRTWAQQ-OAHLLOKOSA-N -1 0 302.374 3.656 20 30 DHEDRM C=CCCC[C@@H](NC(=O)C(C)(C)c1ccccc1Cl)C(=O)[O-] ZINC001588785920 984181431 /nfs/dbraw/zinc/18/14/31/984181431.db2.gz KIVOVSBEHFNYKA-CQSZACIVSA-N -1 0 323.820 3.543 20 30 DHEDRM C=CCCC[C@H](NC(=O)[C@@H](CC)CC1CCCCC1)C(=O)[O-] ZINC001588785562 984181556 /nfs/dbraw/zinc/18/15/56/984181556.db2.gz IUOPKUFVWAMNLR-HOTGVXAUSA-N -1 0 309.450 3.909 20 30 DHEDRM C=CCCC[C@@H](NC(=O)C(=C)CCC(=O)[O-])c1ccccc1 ZINC001588786731 984184483 /nfs/dbraw/zinc/18/44/83/984184483.db2.gz RPYRTDCJZZKUKN-MRXNPFEDSA-N -1 0 301.386 3.621 20 30 DHEDRM C=CCCCC[C@H](C)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001588798683 984237752 /nfs/dbraw/zinc/23/77/52/984237752.db2.gz NXZOTTWIMGYYEM-ZDUSSCGKSA-N -1 0 301.390 3.668 20 30 DHEDRM C=CCCc1ccccc1NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001588814734 984272917 /nfs/dbraw/zinc/27/29/17/984272917.db2.gz OBVWVVPNCJLTMD-MDZDMXLPSA-N -1 0 311.337 3.748 20 30 DHEDRM CC(=NNc1ccc(C)c(C(=O)[O-])c1)c1ccc(Cl)cn1 ZINC001589016482 984995361 /nfs/dbraw/zinc/99/53/61/984995361.db2.gz OEWBXEYCYBMJKV-UHFFFAOYSA-N -1 0 303.749 3.578 20 30 DHEDRM Cc1ccc(C(=O)/C=C\c2ccc(O[C@@H](C)C#N)cc2)c([O-])c1 ZINC000255356180 1015190017 /nfs/dbraw/zinc/19/00/17/1015190017.db2.gz DFHSIGJFSNQHAV-APFBBLRHSA-N -1 0 307.349 3.888 20 30 DHEDRM CCc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)cc1 ZINC000077881078 1015214998 /nfs/dbraw/zinc/21/49/98/1015214998.db2.gz SFAYBEOUSPLOEX-CYBMUJFWSA-N -1 0 317.410 3.645 20 30 DHEDRM CSc1ccc2c(c1)CC/C(=C/c1ccc(C(=O)[O-])o1)C2=O ZINC001599822999 988548071 /nfs/dbraw/zinc/54/80/71/988548071.db2.gz RHVNHLJMQOJAQQ-FLIBITNWSA-N -1 0 314.362 3.912 20 30 DHEDRM CCc1oc(C(=O)[O-])cc1CSc1cccc(F)c1C#N ZINC001597772174 989234884 /nfs/dbraw/zinc/23/48/84/989234884.db2.gz MANFTTRUNUGKGS-UHFFFAOYSA-N -1 0 305.330 3.843 20 30 DHEDRM CCc1oc(C=NNc2cccc3cnccc32)cc1C(=O)[O-] ZINC001597792965 989337909 /nfs/dbraw/zinc/33/79/09/989337909.db2.gz OBXNWXBKLMLHES-UHFFFAOYSA-N -1 0 309.325 3.534 20 30 DHEDRM N#CC(=C([O-])C=Cc1ccc(Cl)nc1)c1nc2ccccc2o1 ZINC000255378491 1015494731 /nfs/dbraw/zinc/49/47/31/1015494731.db2.gz GMLXNMMOSLAWND-HWPRWLFBSA-N -1 0 323.739 3.766 20 30 DHEDRM CC(C)(C)c1ccc(C#N)c(OCc2ccsc2C(=O)[O-])n1 ZINC001590471916 990041711 /nfs/dbraw/zinc/04/17/11/990041711.db2.gz DSMCMLFHSYGERS-UHFFFAOYSA-N -1 0 316.382 3.589 20 30 DHEDRM CC(C)=CC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001590914171 990895656 /nfs/dbraw/zinc/89/56/56/990895656.db2.gz AFOSFHLLBNPYLO-UHFFFAOYSA-N -1 0 319.360 3.689 20 30 DHEDRM CN(C)c1ccc(/C=C/C(=O)c2cc(C(=O)[O-])cs2)cc1F ZINC001598314120 991292984 /nfs/dbraw/zinc/29/29/84/991292984.db2.gz BLXGEATWPHRRNP-GQCTYLIASA-N -1 0 319.357 3.548 20 30 DHEDRM C[C@H]1CCC[C@H](CC(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)C1 ZINC000329095038 1015639261 /nfs/dbraw/zinc/63/92/61/1015639261.db2.gz KQNFZNHTJKSOFW-RYUDHWBXSA-N -1 0 314.389 3.982 20 30 DHEDRM CC(C)CN(Cc1ccc(C(=O)[O-])s1)c1ccc(C#N)cc1 ZINC001591342472 992320781 /nfs/dbraw/zinc/32/07/81/992320781.db2.gz CPHGYOUOGWOXDL-UHFFFAOYSA-N -1 0 314.410 3.981 20 30 DHEDRM Cc1cccc2[nH]cc(CC/N=C\c3cc([N+](=O)[O-])ccc3[O-])c21 ZINC000728437715 1016152941 /nfs/dbraw/zinc/15/29/41/1016152941.db2.gz HRZYZEKPHBKQIQ-GRSHGNNSSA-N -1 0 323.352 3.752 20 30 DHEDRM C[C@H]1[C@H](Nc2cccc(OCCCC#N)c2)CC[C@H]1CC(=O)[O-] ZINC001594183791 998711028 /nfs/dbraw/zinc/71/10/28/998711028.db2.gz AFVKQPBUSTYBTI-JKIFEVAISA-N -1 0 316.401 3.670 20 30 DHEDRM COc1ccccc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 ZINC000362175409 1032259305 /nfs/dbraw/zinc/25/93/05/1032259305.db2.gz AENPYRBMTNCNQV-GFCCVEGCSA-N -1 0 320.270 3.599 20 30 DHEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000080250357 1032295865 /nfs/dbraw/zinc/29/58/65/1032295865.db2.gz YNJMIBAGWBSABX-ZIAGYGMSSA-N -1 0 309.431 3.857 20 30 DHEDRM CC(=NNc1cccc(C(F)(F)F)c1)c1ccc(C(=O)[O-])o1 ZINC000772991960 1032415046 /nfs/dbraw/zinc/41/50/46/1032415046.db2.gz YRXDPXUBJSZTTP-UHFFFAOYSA-N -1 0 312.247 3.833 20 30 DHEDRM Cc1ccc2oc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cc2n1 ZINC000179585340 1017270566 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C=CCOc1ccc(/C=C/c2nc(C(=O)[O-])c(C)s2)cc1 ZINC000517162338 1012919689 /nfs/dbraw/zinc/91/96/89/1012919689.db2.gz IVUIORRHBGNQLB-RMKNXTFCSA-N -1 0 301.367 3.885 20 30 DHEDRM CCCCS(=O)(=O)[N-]C(=O)c1cc(CC)c(CCC)s1 ZINC000048505848 1013043344 /nfs/dbraw/zinc/04/33/44/1013043344.db2.gz KVRHDOXJLNBZOP-UHFFFAOYSA-N -1 0 317.476 3.698 20 30 DHEDRM N#Cc1cc(F)ccc1-c1ccc2c(c1)CC[C@]21C[C@H]1C(=O)[O-] ZINC000563437475 1017169886 /nfs/dbraw/zinc/16/98/86/1017169886.db2.gz KMXQOJPTUWTYPG-HKUYNNGSSA-N -1 0 307.324 3.653 20 30 DHEDRM N#Cc1ccc2c(c1)CCN2C(=O)c1ccc2ccccc2c1[O-] ZINC001299228567 1017174166 /nfs/dbraw/zinc/17/41/66/1017174166.db2.gz LYCMTVWBPGMCBY-UHFFFAOYSA-N -1 0 314.344 3.620 20 30 DHEDRM C=CCOc1cccc(/C=C/c2ncc(/C=C\C(=O)[O-])s2)c1 ZINC000255523572 1017189978 /nfs/dbraw/zinc/18/99/78/1017189978.db2.gz DPABMPLFQTYTEM-FFELTBSMSA-N -1 0 313.378 3.976 20 30 DHEDRM CN(C)c1ccc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)cc1 ZINC000255565515 1017994988 /nfs/dbraw/zinc/99/49/88/1017994988.db2.gz 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DHEDRM COCC[C@H](Cc1cccc(-c2ccc(C)cc2C#N)c1)C(=O)[O-] ZINC000584851647 1022813047 /nfs/dbraw/zinc/81/30/47/1022813047.db2.gz ZANIQXMNDLFGRK-QGZVFWFLSA-N -1 0 323.392 3.814 20 30 DHEDRM Cc1cc(NC(=O)c2ccc(C#N)c([O-])c2)cc(C(F)(F)F)c1 ZINC000617126974 1022865514 /nfs/dbraw/zinc/86/55/14/1022865514.db2.gz CQIPYTGQVJXGTF-UHFFFAOYSA-N -1 0 320.270 3.843 20 30 DHEDRM COc1c(O)cccc1/C=C\C(=O)c1ccc([O-])c(Cl)c1 ZINC000768753520 1023021137 /nfs/dbraw/zinc/02/11/37/1023021137.db2.gz WXGPAFUGCDFXNW-ALCCZGGFSA-N -1 0 304.729 3.656 20 30 DHEDRM O=C(/C=C1/COc2ccc(F)cc21)c1ccc([O-])c(Cl)c1 ZINC000768757777 1023022825 /nfs/dbraw/zinc/02/28/25/1023022825.db2.gz RIQPCZDDVSVAJZ-POHAHGRESA-N -1 0 304.704 3.843 20 30 DHEDRM C=CC[C@H]1CCCN(C(=O)c2cccc(Br)c2[O-])C1 ZINC000617782182 1023053715 /nfs/dbraw/zinc/05/37/15/1023053715.db2.gz ZXQWEVZEGLMQNJ-NSHDSACASA-N -1 0 324.218 3.583 20 30 DHEDRM Cc1ccoc1C(=O)/C=C/c1ccc(OC(F)(F)C(=O)[O-])cc1 ZINC000769784203 1023212906 /nfs/dbraw/zinc/21/29/06/1023212906.db2.gz 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ZINC000746684053 1023795858 /nfs/dbraw/zinc/79/58/58/1023795858.db2.gz JUNNFJOQSQGESM-KTKRTIGZSA-N -1 0 302.370 3.703 20 30 DHEDRM CCCCCCCS(=O)(=O)[N-][C@H]([C@@H](C)CC)C(F)(F)F ZINC001211677799 1023818271 /nfs/dbraw/zinc/81/82/71/1023818271.db2.gz RKFRQSWDBGALFA-NWDGAFQWSA-N -1 0 317.417 3.853 20 30 DHEDRM Cc1ccc(C(=O)[O-])cc1C(C)N=Nc1cc(Cl)ccn1 ZINC000788438960 1023881605 /nfs/dbraw/zinc/88/16/05/1023881605.db2.gz OFPVMEURRMISCY-UHFFFAOYSA-N -1 0 303.749 3.578 20 30 DHEDRM Cc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc(Cl)n1 ZINC000788698836 1023923130 /nfs/dbraw/zinc/92/31/30/1023923130.db2.gz LZCXDLXKYYXNOL-UHFFFAOYSA-N -1 0 324.167 3.841 20 30 DHEDRM COc1ccc2nc(/C=C/C(=O)c3ccccc3[O-])sc2c1 ZINC000788731169 1023927288 /nfs/dbraw/zinc/92/72/88/1023927288.db2.gz IVMAPKPBPOARKO-CMDGGOBGSA-N -1 0 311.362 3.907 20 30 DHEDRM O=C([O-])[C@H]1CCC(N=Nc2ncccc2Cl)c2ccccc21 ZINC000788993901 1023962859 /nfs/dbraw/zinc/96/28/59/1023962859.db2.gz DKAKUGORGLZYBD-LBPRGKRZSA-N -1 0 315.760 3.513 20 30 DHEDRM O=C([O-])[C@@H]1CCC(N=Nc2ncccc2Cl)c2ccccc21 ZINC000788993895 1023962870 /nfs/dbraw/zinc/96/28/70/1023962870.db2.gz DKAKUGORGLZYBD-GFCCVEGCSA-N -1 0 315.760 3.513 20 30 DHEDRM Cc1cc(C(=O)/C=C\c2cc(Cl)c([O-])cc2Cl)n(C)n1 ZINC000789159310 1024011177 /nfs/dbraw/zinc/01/11/77/1024011177.db2.gz KUIFCIUDXRZNAM-ARJAWSKDSA-N -1 0 311.168 3.637 20 30 DHEDRM N#CC(=C([O-])c1nc(Cl)cs1)c1nccc2ccccc21 ZINC000789491485 1024095437 /nfs/dbraw/zinc/09/54/37/1024095437.db2.gz HQQUZUPIXUJWMY-LLVKDONJSA-N -1 0 313.769 3.835 20 30 DHEDRM O=C(CCc1nc(-c2cc(F)ccc2Cl)no1)C1=CC=C[CH]1 ZINC001204655966 1024103895 /nfs/dbraw/zinc/10/38/95/1024103895.db2.gz CJISYDNTSJCRMK-UHFFFAOYSA-N -1 0 317.727 3.731 20 30 DHEDRM O=C([O-])c1cc(C(=O)/C=C/c2cc(F)c(F)cc2F)cs1 ZINC000130069107 1024126204 /nfs/dbraw/zinc/12/62/04/1024126204.db2.gz ISAIZIYNRSOZER-OWOJBTEDSA-N -1 0 312.268 3.760 20 30 DHEDRM CC1=C[C@H](C)C[C@H](C=Nn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000789640688 1024136518 /nfs/dbraw/zinc/13/65/18/1024136518.db2.gz 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1033232820 /nfs/dbraw/zinc/23/28/20/1033232820.db2.gz HHEVGKOPGCDECL-CABCVRRESA-N -1 0 315.454 3.512 20 30 DHEDRM CCC(N=Nc1nncc2ccccc21)c1ccc(C(=O)[O-])cc1 ZINC000760223147 1024762579 /nfs/dbraw/zinc/76/25/79/1024762579.db2.gz FBXZPFZMKNQQDC-UHFFFAOYSA-N -1 0 320.352 3.554 20 30 DHEDRM CC[C@H](NN=C(C)c1ccc(-c2cccs2)cc1)C(=O)[O-] ZINC000793055275 1024871268 /nfs/dbraw/zinc/87/12/68/1024871268.db2.gz KYEUCSVCCKPVIL-AWEZNQCLSA-N -1 0 302.399 3.592 20 30 DHEDRM CCCCCCCC(=O)N[C@@H](CC(=O)[O-])c1ccccc1C ZINC000236841148 1024924652 /nfs/dbraw/zinc/92/46/52/1024924652.db2.gz NXZLULGIOQNJRP-INIZCTEOSA-N -1 0 305.418 3.988 20 30 DHEDRM N#Cc1cccc(Cl)c1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203328630 1025031137 /nfs/dbraw/zinc/03/11/37/1025031137.db2.gz YECWVIIWFDQSLA-UHFFFAOYSA-N -1 0 308.671 3.932 20 30 DHEDRM CC(C)c1nn(C)cc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000353642273 1025171459 /nfs/dbraw/zinc/17/14/59/1025171459.db2.gz HJSDMJDBTWOIEN-NSHDSACASA-N -1 0 324.409 3.643 20 30 DHEDRM CC(C)SCC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000804599161 1025393099 /nfs/dbraw/zinc/39/30/99/1025393099.db2.gz VVJRGNLMUWJORD-VGOFMYFVSA-N -1 0 302.783 3.514 20 30 DHEDRM N#CC(=C([O-])c1cc2c(s1)CCCCCC2)c1ccncn1 ZINC000354460023 1025435515 /nfs/dbraw/zinc/43/55/15/1025435515.db2.gz FIIAYWBWJTUHEZ-CYBMUJFWSA-N -1 0 311.410 3.687 20 30 DHEDRM N#CC(=C([O-])c1ccccc1-c1ccccc1C#N)c1ccncn1 ZINC000354475036 1025439717 /nfs/dbraw/zinc/43/97/17/1025439717.db2.gz QWOKWZHTIPFYSR-GOSISDBHSA-N -1 0 324.343 3.505 20 30 DHEDRM N#Cc1ccccc1/C=C\C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000805256248 1025565270 /nfs/dbraw/zinc/56/52/70/1025565270.db2.gz BLBWCKKLEBBYRZ-WAYWQWQTSA-N -1 0 316.719 3.708 20 30 DHEDRM COc1ccccc1/C=C1/C[C@H](C(=O)[O-])c2ccccc2C1=O ZINC000806559309 1025921627 /nfs/dbraw/zinc/92/16/27/1025921627.db2.gz AELHMJKMURWFFD-DDKJEQMHSA-N -1 0 308.333 3.533 20 30 DHEDRM CCOc1cccc(/C=C2/C[C@H](C(=O)[O-])c3ccccc3C2=O)c1 ZINC000806561620 1025924441 /nfs/dbraw/zinc/92/44/41/1025924441.db2.gz WZSXACAENSFUNS-BLSFAOBESA-N -1 0 322.360 3.924 20 30 DHEDRM CCOc1cccc(/C=C2/C[C@@H](C(=O)[O-])c3ccccc3C2=O)c1 ZINC000806561623 1025924787 /nfs/dbraw/zinc/92/47/87/1025924787.db2.gz WZSXACAENSFUNS-RXEWJAMOSA-N -1 0 322.360 3.924 20 30 DHEDRM COc1ccc(/C=C\C(=O)c2ccc(F)cc2[O-])c(C)c1OC ZINC000806573802 1025930908 /nfs/dbraw/zinc/93/09/08/1025930908.db2.gz SWTJGYOMVUGABX-YWEYNIOJSA-N -1 0 316.328 3.753 20 30 DHEDRM N#CC(=C([O-])c1cccc2c1CCC2)c1nc2ccccc2o1 ZINC000193619440 1025942238 /nfs/dbraw/zinc/94/22/38/1025942238.db2.gz URRMXZBVLWAVNA-HNNXBMFYSA-N -1 0 302.333 3.807 20 30 DHEDRM N#Cc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000807837646 1026130975 /nfs/dbraw/zinc/13/09/75/1026130975.db2.gz ZDYLJJNJGOKZOA-UHFFFAOYSA-N -1 0 321.163 3.501 20 30 DHEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1cc(Cl)cc(C)c1O ZINC000807939062 1026152777 /nfs/dbraw/zinc/15/27/77/1026152777.db2.gz LMGRRQUGFVHYSK-UHFFFAOYSA-N -1 0 318.760 3.888 20 30 DHEDRM Cc1nsc(NCc2cc(Cl)cc(Cl)c2[O-])c1C#N ZINC000808090297 1026202154 /nfs/dbraw/zinc/20/21/54/1026202154.db2.gz XXMKIFVVEPRUGZ-UHFFFAOYSA-N -1 0 314.197 3.948 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1CC12CCCC2 ZINC000747480156 1026255906 /nfs/dbraw/zinc/25/59/06/1026255906.db2.gz QZDAGWPNCHLRSJ-CABCVRRESA-N -1 0 320.392 3.948 20 30 DHEDRM Cc1cc(C#N)ccc1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000614392510 1026287434 /nfs/dbraw/zinc/28/74/34/1026287434.db2.gz RDQIPRXFXLEWNZ-UHFFFAOYSA-N -1 0 322.412 3.571 20 30 DHEDRM O=C1c2cccc(Cl)c2O/C1=C/c1ccc([O-])c([N+](=O)[O-])c1 ZINC000729149027 1026381889 /nfs/dbraw/zinc/38/18/89/1026381889.db2.gz BFDQNYNVRNIZSH-NTUHNPAUSA-N -1 0 317.684 3.570 20 30 DHEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1ccc(F)c(C)c1)CC2 ZINC000729150888 1026382671 /nfs/dbraw/zinc/38/26/71/1026382671.db2.gz PRDSVGXCQHXGAI-WQLSENKSSA-N -1 0 314.312 3.946 20 30 DHEDRM Cc1ccoc1C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000729219146 1026397672 /nfs/dbraw/zinc/39/76/72/1026397672.db2.gz WIDFXGZUIISUOR-GFCCVEGCSA-N -1 0 313.378 3.734 20 30 DHEDRM C[C@H]1c2ccccc2C(=O)/C1=C/c1cccc(OCCC(=O)[O-])c1 ZINC000809156914 1026470645 /nfs/dbraw/zinc/47/06/45/1026470645.db2.gz OYKZOPZGJFUOEC-HTMJNSLASA-N -1 0 322.360 3.924 20 30 DHEDRM O=C([O-])c1cc(/C=C\C(=O)c2coc3ccccc23)ccc1O ZINC000809158793 1026471843 /nfs/dbraw/zinc/47/18/43/1026471843.db2.gz WYMIYSCAWMAESW-VURMDHGXSA-N -1 0 308.289 3.733 20 30 DHEDRM C#C[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccc(Cl)cc1 ZINC000812352728 1027251683 /nfs/dbraw/zinc/25/16/83/1027251683.db2.gz AHTRXJJVAXDWSU-CQSZACIVSA-N -1 0 320.175 3.803 20 30 DHEDRM CCC[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000046708713 1027434811 /nfs/dbraw/zinc/43/48/11/1027434811.db2.gz UHIWWLSFQYSOPI-INIZCTEOSA-N -1 0 317.410 3.916 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCCC1CC1 ZINC000813056832 1027504668 /nfs/dbraw/zinc/50/46/68/1027504668.db2.gz CHGDOZDQCCCPJF-HNNXBMFYSA-N -1 0 308.381 3.948 20 30 DHEDRM N#CC(=C([O-])c1noc2c1CCCC2)c1nccc2ccccc21 ZINC000576285250 1027595252 /nfs/dbraw/zinc/59/52/52/1027595252.db2.gz LDVMRQHZJDARDX-OAHLLOKOSA-N -1 0 317.348 3.592 20 30 DHEDRM CCCCC(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000048408607 1028048678 /nfs/dbraw/zinc/04/86/78/1028048678.db2.gz SUFLFJBMJFCMCD-UHFFFAOYSA-N -1 0 310.202 3.829 20 30 DHEDRM CCCCc1oc2ccccc2c1C=CC(=O)[N-]S(C)(=O)=O ZINC000048480033 1028102232 /nfs/dbraw/zinc/10/22/32/1028102232.db2.gz HAICJWBBQSUUBC-KHPPLWFESA-N -1 0 321.398 3.705 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2sc(C(C)C)nc2C)n1 ZINC000048520476 1028121579 /nfs/dbraw/zinc/12/15/79/1028121579.db2.gz UQUPQJXWZQJDDN-SNVBAGLBSA-N -1 0 305.428 3.830 20 30 DHEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCCc2ccccc2)s1 ZINC000048528479 1028126581 /nfs/dbraw/zinc/12/65/81/1028126581.db2.gz NGLZZINSPGWLTF-UHFFFAOYSA-N -1 0 323.439 3.725 20 30 DHEDRM CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000048613612 1028169388 /nfs/dbraw/zinc/16/93/88/1028169388.db2.gz IMKLLJDNAAQOOY-UHFFFAOYSA-N -1 0 323.336 3.787 20 30 DHEDRM CC(CC1(C(=O)[O-])CCC1)N=Nc1nccc2sccc21 ZINC000814809329 1028235010 /nfs/dbraw/zinc/23/50/10/1028235010.db2.gz XLZANCWLGCKPII-UHFFFAOYSA-N -1 0 303.387 3.729 20 30 DHEDRM CC(N=Nc1ccnc2ccccc12)[C@H](C)CCCCC(=O)[O-] ZINC000814841121 1028242610 /nfs/dbraw/zinc/24/26/10/1028242610.db2.gz BSIGLVZEIXDZEV-CYBMUJFWSA-N -1 0 313.401 3.726 20 30 DHEDRM CC(CC1(C(=O)[O-])CCC1)N=Nc1nc(C(F)(F)F)cs1 ZINC000814867488 1028251532 /nfs/dbraw/zinc/25/15/32/1028251532.db2.gz GNWQXGUMENDEKY-UHFFFAOYSA-N -1 0 321.324 3.595 20 30 DHEDRM Cc1cc2ccccc2nc1N=NC1CC[C@H](C(=O)[O-])C[C@@H]1C ZINC000814896398 1028266035 /nfs/dbraw/zinc/26/60/35/1028266035.db2.gz WNMZADBLLNVPDJ-FZMZJTMJSA-N -1 0 311.385 3.832 20 30 DHEDRM COC(=O)c1cccc(N=NC(C)[C@H](C)CCCCC(=O)[O-])c1 ZINC000814900855 1028268142 /nfs/dbraw/zinc/26/81/42/1028268142.db2.gz LGCSOVOGGRQLKJ-GFCCVEGCSA-N -1 0 320.389 3.542 20 30 DHEDRM COc1ccc(NN=C(C)c2csc(C(=O)[O-])c2)cc1Cl ZINC000814902429 1028271562 /nfs/dbraw/zinc/27/15/62/1028271562.db2.gz NGSURNFRPJCIGU-UHFFFAOYSA-N -1 0 324.789 3.944 20 30 DHEDRM COc1ccccc1CON=Cc1cccc(C(=O)[O-])c1Cl ZINC000814923355 1028283079 /nfs/dbraw/zinc/28/30/79/1028283079.db2.gz FIAVUJFASPMULC-UHFFFAOYSA-N -1 0 319.744 3.598 20 30 DHEDRM CC[C@H](C)CON=C(C)CCc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000814939155 1028293971 /nfs/dbraw/zinc/29/39/71/1028293971.db2.gz GGUFNJPVQZDRES-ZFWWWQNUSA-N -1 0 321.417 3.910 20 30 DHEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)=NOC1CCCCC1 ZINC000814910002 1028295878 /nfs/dbraw/zinc/29/58/78/1028295878.db2.gz OCXLBSDWBPFSRP-UHFFFAOYSA-N -1 0 319.401 3.808 20 30 DHEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)c2cccc(F)c2)cc1 ZINC000076756100 1028708361 /nfs/dbraw/zinc/70/83/61/1028708361.db2.gz SFFKJZKUYVPBRX-GFCCVEGCSA-N -1 0 321.373 3.583 20 30 DHEDRM Cc1c2cc(F)ccc2oc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000041573856 1028755191 /nfs/dbraw/zinc/75/51/91/1028755191.db2.gz FTPKXLWDNSLYJY-AWEZNQCLSA-N -1 0 323.327 3.777 20 30 DHEDRM CCC(=NNCCOC(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000778546894 1028760835 /nfs/dbraw/zinc/76/08/35/1028760835.db2.gz AJCKSBMHVBQFDZ-UHFFFAOYSA-N -1 0 319.232 3.828 20 30 DHEDRM CC(C)=CC(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000042233379 1028937065 /nfs/dbraw/zinc/93/70/65/1028937065.db2.gz NSGHIQWCDQOZOM-UHFFFAOYSA-N -1 0 308.186 3.605 20 30 DHEDRM CC(C)CCC(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000042316149 1028962334 /nfs/dbraw/zinc/96/23/34/1028962334.db2.gz QYIFNNSUDZRCPO-UHFFFAOYSA-N -1 0 323.336 3.787 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2nn(C)c3ccccc23)n1 ZINC000528966394 1028964897 /nfs/dbraw/zinc/96/48/97/1028964897.db2.gz JQORGHQQFSWXDM-GFCCVEGCSA-N -1 0 324.409 3.643 20 30 DHEDRM CC[C@@H]1C[C@H](/N=C/c2cc(Br)ccc2O)CCO1 ZINC000817706638 1029231713 /nfs/dbraw/zinc/23/17/13/1029231713.db2.gz DLOGQIIBFBPQHE-SUNVMROUSA-N -1 0 312.207 3.531 20 30 DHEDRM O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000821002972 1029797431 /nfs/dbraw/zinc/79/74/31/1029797431.db2.gz RONAOKYRXYBFQE-RJRFIUFISA-N -1 0 323.226 3.614 20 30 DHEDRM C=CCC[C@@H](N=c1[n-]c(C2CCOCC2)no1)c1ccccc1 ZINC000413196567 1029941321 /nfs/dbraw/zinc/94/13/21/1029941321.db2.gz FEMPBNWEYHDKJK-MRXNPFEDSA-N -1 0 313.401 3.505 20 30 DHEDRM Cc1ocnc1C([O-])=C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000357484664 1030073735 /nfs/dbraw/zinc/07/37/35/1030073735.db2.gz MTSXMJPRYBVZOS-CYBMUJFWSA-N -1 0 323.377 3.905 20 30 DHEDRM COc1ccc(C(=O)/C=C\c2c(F)ccc(O)c2F)cc1F ZINC000794936659 1030411989 /nfs/dbraw/zinc/41/19/89/1030411989.db2.gz CVLUNXZEELSCHI-HYXAFXHYSA-N -1 0 308.255 3.714 20 30 DHEDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1ccc(C#N)cc1F ZINC000794944363 1030420880 /nfs/dbraw/zinc/42/08/80/1030420880.db2.gz GAYGJWHBPGGANZ-GQCTYLIASA-N -1 0 323.323 3.909 20 30 DHEDRM C[C@](C#N)(NC(=O)c1ccc([O-])c(Cl)c1)C1CCCCC1 ZINC001136826378 1030478285 /nfs/dbraw/zinc/47/82/85/1030478285.db2.gz PJFKDGBEEDQIQY-MRXNPFEDSA-N -1 0 306.793 3.638 20 30 DHEDRM N#Cc1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC001136895781 1030580359 /nfs/dbraw/zinc/58/03/59/1030580359.db2.gz NRQDUIANFPQZIQ-UHFFFAOYSA-N -1 0 321.163 3.501 20 30 DHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000870121527 1030925613 /nfs/dbraw/zinc/92/56/13/1030925613.db2.gz ACLUNYMRWUXRGJ-XZINFULNSA-N -1 0 320.392 3.660 20 30 DHEDRM Cc1cc(F)ncc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000870339995 1030981807 /nfs/dbraw/zinc/98/18/07/1030981807.db2.gz OZQXROSKKUPJOF-SNVBAGLBSA-N -1 0 317.389 3.773 20 30 DHEDRM CC(C)c1ccc(C=C2CCc3c(C#N)c(=O)[n-]cc3C2=O)cc1 ZINC000844554362 1031210673 /nfs/dbraw/zinc/21/06/73/1031210673.db2.gz KRWVMOXCAAYZNG-DHDCSXOGSA-N -1 0 318.376 3.995 20 30 DHEDRM Cc1c(N=NC2CCCC[C@@H]2[C@@H]2CCOC2)cccc1C(=O)[O-] ZINC000844622707 1031257657 /nfs/dbraw/zinc/25/76/57/1031257657.db2.gz IKYLGUSPATUDIU-UKRRQHHQSA-N -1 0 316.401 3.688 20 30 DHEDRM CCCOc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1C ZINC000871665266 1031260494 /nfs/dbraw/zinc/26/04/94/1031260494.db2.gz GJBCBFIDYFDYGY-RAXLEYEMSA-N -1 0 323.396 3.608 20 30 DHEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc([N+](=O)[O-])cc2)n1 ZINC000080452264 1031368031 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Cc1ccc(F)cc1/C=C/C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000777920582 1031888658 /nfs/dbraw/zinc/88/86/58/1031888658.db2.gz PEBJXJYNHYLTOL-ZZXKWVIFSA-N -1 0 301.273 3.644 20 30 DHEDRM CC(C)c1cc(C([O-])=C(C#N)c2nccc3ccccc32)n[nH]1 ZINC000361524350 1031969497 /nfs/dbraw/zinc/96/94/97/1031969497.db2.gz KOZPLJQHLJAAMR-CQSZACIVSA-N -1 0 304.353 3.571 20 30 DHEDRM C=CCCC[C@@H](C(=O)[N-]OCC(F)(F)F)c1ccccc1 ZINC000879195104 1033948270 /nfs/dbraw/zinc/94/82/70/1033948270.db2.gz YWTJRBFMJNRHPH-CYBMUJFWSA-N -1 0 301.308 3.737 20 30 DHEDRM COc1cc(OC)c(C(=O)[O-])cc1/C=C1/CCCC(C)(C)C1=O ZINC000863186877 1034017036 /nfs/dbraw/zinc/01/70/36/1034017036.db2.gz PAGOPWPBKWYXCB-FLIBITNWSA-N -1 0 318.369 3.565 20 30 DHEDRM CC(C)(C)c1noc(Nc2cccc(/C=C/C(=O)[O-])c2)c1C#N ZINC001174494794 1034412486 /nfs/dbraw/zinc/41/24/86/1034412486.db2.gz IVSZLYPNOOVHBF-BQYQJAHWSA-N -1 0 311.341 3.685 20 30 DHEDRM Cc1sc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c(C#N)c1C ZINC001174502982 1034461306 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Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccsc2)c(C)c1 ZINC000042275307 1034900558 /nfs/dbraw/zinc/90/05/58/1034900558.db2.gz QISNWWWBBZPRLO-UHFFFAOYSA-N -1 0 323.439 3.643 20 30 DHEDRM Cc1cc(C#N)cc(C#N)c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175320030 1034932756 /nfs/dbraw/zinc/93/27/56/1034932756.db2.gz MMXWCPUOBAAPEN-UHFFFAOYSA-N -1 0 311.728 3.834 20 30 DHEDRM N#Cc1cc(Br)ccc1Nc1csc(C(=O)[O-])c1 ZINC001176439752 1035265258 /nfs/dbraw/zinc/26/52/58/1035265258.db2.gz ZTDCAJQBQMWOOA-UHFFFAOYSA-N -1 0 323.171 3.824 20 30 DHEDRM N#Cc1cc(F)c(Nc2c(F)cc(F)c([O-])c2F)c(F)c1 ZINC001176673720 1035311773 /nfs/dbraw/zinc/31/17/73/1035311773.db2.gz XWSCGZJRMRZZSG-UHFFFAOYSA-N -1 0 300.186 3.703 20 30 DHEDRM CO[C@@]1(C/N=C\c2cc(Cl)cc(Cl)c2[O-])CCSC1 ZINC000905002549 1035474450 /nfs/dbraw/zinc/47/44/50/1035474450.db2.gz JRGRYWZMIOUSRT-LLYLVAKQSA-N -1 0 320.241 3.640 20 30 DHEDRM C=CCCC[C@H](NC(=O)Nc1cccc(C(F)F)c1)C(=O)[O-] ZINC000905053023 1035476813 /nfs/dbraw/zinc/47/68/13/1035476813.db2.gz 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ZINC001196127201 1036444012 /nfs/dbraw/zinc/44/40/12/1036444012.db2.gz WFYWNXOAISXRIG-UHFFFAOYSA-N -1 0 319.336 3.659 20 30 DHEDRM N#C[C@H](NC(=O)c1cccc(Cl)c1[O-])c1ccc(Cl)cc1 ZINC000775726436 1036568702 /nfs/dbraw/zinc/56/87/02/1036568702.db2.gz UQLXEQHDKDWXMP-ZDUSSCGKSA-N -1 0 321.163 3.694 20 30 DHEDRM C=C(C)c1ccccc1[N-]S(=O)(=O)c1cc(OC)ccc1F ZINC001196763538 1036600342 /nfs/dbraw/zinc/60/03/42/1036600342.db2.gz ZXWHTIHYMZCXTM-UHFFFAOYSA-N -1 0 321.373 3.668 20 30 DHEDRM N#CC(=C([O-])c1ncoc1C1CC1)c1ccc2ccccc2n1 ZINC000645954018 1036616087 /nfs/dbraw/zinc/61/60/87/1036616087.db2.gz VPJHAQMVRLAYLX-ZDUSSCGKSA-N -1 0 303.321 3.590 20 30 DHEDRM C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1cc(F)ccc1F ZINC000915113193 1036646113 /nfs/dbraw/zinc/64/61/13/1036646113.db2.gz QHNTWXTXTMWWIE-ZBPACCJBSA-N -1 0 306.268 3.759 20 30 DHEDRM CCCCO[C@@H]1C[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1(C)C ZINC000176414194 1036770024 /nfs/dbraw/zinc/77/00/24/1036770024.db2.gz CCUGIJPLBPCWND-JDPRVQSZSA-N -1 0 320.389 3.703 20 30 DHEDRM C=CCC(CC=C)C(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl ZINC000910403263 1036858275 /nfs/dbraw/zinc/85/82/75/1036858275.db2.gz AHJZZSINOPCUJB-OAHLLOKOSA-N -1 0 321.804 3.740 20 30 DHEDRM C[C@H](CCCc1ccccc1)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000775790649 1036886335 /nfs/dbraw/zinc/88/63/35/1036886335.db2.gz AGEYRCUACCKBNN-CQSZACIVSA-N -1 0 308.381 3.861 20 30 DHEDRM C=CCCC[C@@H](NC(=O)c1ccccc1SCC=C)C(=O)[O-] ZINC000910916830 1036995465 /nfs/dbraw/zinc/99/54/65/1036995465.db2.gz IVOGYEQSROOWGS-CQSZACIVSA-N -1 0 319.426 3.504 20 30 DHEDRM Cc1cc(C)c(C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)o1 ZINC000175089162 1037048920 /nfs/dbraw/zinc/04/89/20/1037048920.db2.gz NOFXDBLTIOGBPW-CQSZACIVSA-N -1 0 320.348 3.892 20 30 DHEDRM CC(C)(C)c1[n-]n(Cc2ccc3c(c2)CCC3)c(=O)c1CCC#N ZINC000176779517 1037167139 /nfs/dbraw/zinc/16/71/39/1037167139.db2.gz KCGMYNQXHPTAIG-UHFFFAOYSA-N -1 0 323.440 3.879 20 30 DHEDRM N#Cc1c(NC(=O)c2cccc([S-])c2)sc2c1CCC2 ZINC001186130415 1037319168 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C=CC[C@@H](Sc1nnc(C[C@H](C)c2ccccc2)o1)C(=O)[O-] ZINC001588763635 984120139 /nfs/dbraw/zinc/12/01/39/984120139.db2.gz UZWDNLZEUFUCSD-WCQYABFASA-N -1 0 318.398 3.537 20 30 DHEDRM C=CCC1(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCCCC1 ZINC001588764974 984124226 /nfs/dbraw/zinc/12/42/26/984124226.db2.gz NSJSTPKZZOTJRE-UHFFFAOYSA-N -1 0 305.349 3.989 20 30 DHEDRM C=CCC1(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CCCC1 ZINC001588764988 984124996 /nfs/dbraw/zinc/12/49/96/984124996.db2.gz OPPUATJKZLEUTA-UHFFFAOYSA-N -1 0 309.312 3.738 20 30 DHEDRM C=CC[C@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)C1 ZINC001588770673 984135768 /nfs/dbraw/zinc/13/57/68/984135768.db2.gz CJPUGJVRSUNSNM-LBPRGKRZSA-N -1 0 320.364 3.652 20 30 DHEDRM C=CC[C@@H]1N(C(=O)c2cc(C)cc(C(=O)[O-])c2)CCCC1(C)C ZINC001588773720 984148781 /nfs/dbraw/zinc/14/87/81/984148781.db2.gz GUWZNEXXXIDWEQ-INIZCTEOSA-N -1 0 315.413 3.900 20 30 DHEDRM C=CCC[C@@H](C(=O)OCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC001588776932 984154636 /nfs/dbraw/zinc/15/46/36/984154636.db2.gz 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Cc1csc(C(C#N)=C([O-])C=Cc2ccc(Cl)cc2)n1 ZINC000047358176 1015069228 /nfs/dbraw/zinc/06/92/28/1015069228.db2.gz GOWRIKIUEOLFDC-LVDDQXARSA-N -1 0 302.786 3.995 20 30 DHEDRM CC(C)[C@@H](C#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843572039 1015313306 /nfs/dbraw/zinc/31/33/06/1015313306.db2.gz STZMECIDFILNFL-SNVBAGLBSA-N -1 0 321.154 3.750 20 30 DHEDRM CSc1ccc(CSc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001599814412 988395595 /nfs/dbraw/zinc/39/55/95/988395595.db2.gz JGZOESVTAPZAHV-UHFFFAOYSA-N -1 0 316.407 3.666 20 30 DHEDRM C[C@H](CC(=O)[N-]S(=O)(=O)C1CCCC1)c1ccc(F)cc1 ZINC000086054925 1015574324 /nfs/dbraw/zinc/57/43/24/1015574324.db2.gz ZPGLETRONLBHQC-LLVKDONJSA-N -1 0 313.394 3.548 20 30 DHEDRM N#CC(=C([O-])c1cc2[nH]ccc2s1)c1cnc2ccccc2n1 ZINC000361841487 1032120920 /nfs/dbraw/zinc/12/09/20/1032120920.db2.gz DJVDBOLMZCHLFR-JTQLQIEISA-N -1 0 318.361 3.663 20 30 DHEDRM Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)nn1C(F)F ZINC000341709590 1015688083 /nfs/dbraw/zinc/68/80/83/1015688083.db2.gz 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N#Cc1ccc(Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(O)c1 ZINC001211489811 1012058785 /nfs/dbraw/zinc/05/87/85/1012058785.db2.gz JEOBKHAGHWODNB-UHFFFAOYSA-N -1 0 322.242 3.724 20 30 DHEDRM C=CC[C@@H]1N(C(=O)N=c2nc(CCC)[n-]s2)CCCC1(C)C ZINC000514972067 1012520551 /nfs/dbraw/zinc/52/05/51/1012520551.db2.gz JLEXLBNBKNUCEE-LBPRGKRZSA-N -1 0 322.478 3.511 20 30 DHEDRM CCc1cc(=O)[nH]c(-c2cccc(N=Cc3ccccc3O)c2)n1 ZINC000254974669 1012615400 /nfs/dbraw/zinc/61/54/00/1012615400.db2.gz NCVNXSLNEMVDPU-UHFFFAOYSA-N -1 0 319.364 3.868 20 30 DHEDRM O=C(/C=C\c1scnc1C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000782352109 1017140977 /nfs/dbraw/zinc/14/09/77/1017140977.db2.gz QBMOWSCRYVMMOS-WAYWQWQTSA-N -1 0 316.338 3.530 20 30 DHEDRM COc1cc(/C=C\C(=O)c2ccccc2[O-])cc(Cl)c1O ZINC000255540051 1017491914 /nfs/dbraw/zinc/49/19/14/1017491914.db2.gz AXWNJPQFDSDDRP-SREVYHEPSA-N -1 0 304.729 3.656 20 30 DHEDRM Oc1ccc(C=Nc2ccc(CC(F)(F)F)cc2)c(O)c1O ZINC000255556275 1017696460 /nfs/dbraw/zinc/69/64/60/1017696460.db2.gz UNIZFAXWMDIXEV-UHFFFAOYSA-N -1 0 311.259 3.659 20 30 DHEDRM CC(C)c1nc(C([O-])=C(C#N)c2nc3ccccc3o2)cs1 ZINC000171146583 1017976563 /nfs/dbraw/zinc/97/65/63/1017976563.db2.gz OMBDNXBHEVRSNQ-JTQLQIEISA-N -1 0 311.366 3.898 20 30 DHEDRM Cc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)o1 ZINC000114620613 1018106220 /nfs/dbraw/zinc/10/62/20/1018106220.db2.gz YRMVLMBNDLMWIW-LBPRGKRZSA-N -1 0 309.350 3.597 20 30 DHEDRM N#Cc1ccc(/C=C(/CC(=O)[O-])c2nc3ccccc3o2)c(F)c1 ZINC000448112934 1018539070 /nfs/dbraw/zinc/53/90/70/1018539070.db2.gz HTALNLBYXQOUEW-JYRVWZFOSA-N -1 0 322.295 3.854 20 30 DHEDRM Cc1cc(C(C#N)=C([O-])c2ccc(-c3ccco3)s2)nc(C)n1 ZINC000675907285 1018629633 /nfs/dbraw/zinc/62/96/33/1018629633.db2.gz SBSXHMAHWLUSTC-LBPRGKRZSA-N -1 0 323.377 3.905 20 30 DHEDRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(Cl)c(F)c1 ZINC000765613988 1019005044 /nfs/dbraw/zinc/00/50/44/1019005044.db2.gz YUDSDUKQHVVSSA-QHHAFSJGSA-N -1 0 321.691 3.989 20 30 DHEDRM O=C(/C=C\c1sccc1Cl)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000588601274 1019328229 /nfs/dbraw/zinc/32/82/29/1019328229.db2.gz PUPIHGNMXOYVAM-ARJAWSKDSA-N -1 0 309.730 3.911 20 30 DHEDRM O=C(/C=C\c1cn2cc(Cl)ccc2n1)c1ccc([O-])c(F)c1 ZINC000255760331 1019586425 /nfs/dbraw/zinc/58/64/25/1019586425.db2.gz ZNKYILBGSPBAMZ-HYXAFXHYSA-N -1 0 316.719 3.729 20 30 DHEDRM O=C([O-])c1cccc(NN=Cc2cnc(-c3ccccc3)s2)c1 ZINC000727251982 1019675466 /nfs/dbraw/zinc/67/54/66/1019675466.db2.gz MUTFEIDUDCXTPF-UHFFFAOYSA-N -1 0 323.377 3.954 20 30 DHEDRM O=C([O-])c1cc(C(=O)/C=C\C2=Cc3ccccc3OC2)cs1 ZINC000730149033 1019953673 /nfs/dbraw/zinc/95/36/73/1019953673.db2.gz ADLDMFCUKFCHKF-WAYWQWQTSA-N -1 0 312.346 3.661 20 30 DHEDRM C=CCOc1ccccc1/C=C/C(=O)c1csc(C(=O)[O-])c1 ZINC000730148797 1019953869 /nfs/dbraw/zinc/95/38/69/1019953869.db2.gz LWRXRHSXRSOLNB-BQYQJAHWSA-N -1 0 314.362 3.907 20 30 DHEDRM O=C([O-])c1cc(C(=O)/C=C\c2cccc(OC(F)F)c2)cs1 ZINC000730148433 1019954582 /nfs/dbraw/zinc/95/45/82/1019954582.db2.gz GKQJOEFONBRODE-PLNGDYQASA-N -1 0 324.304 3.944 20 30 DHEDRM COc1ccc(C)cc1/C=C\C(=O)c1csc(C(=O)[O-])c1 ZINC000730148363 1019954804 /nfs/dbraw/zinc/95/48/04/1019954804.db2.gz FORSSBVDZKNNOH-PLNGDYQASA-N -1 0 302.351 3.659 20 30 DHEDRM COc1ccc(Cl)cc1C(C)=NNc1ccc(C(=O)[O-])cc1 ZINC000730544080 1020002667 /nfs/dbraw/zinc/00/26/67/1020002667.db2.gz PTRQQRWKJAKPER-UHFFFAOYSA-N -1 0 318.760 3.883 20 30 DHEDRM Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(OCCC(=O)[O-])cc1)C2 ZINC000730949354 1020044336 /nfs/dbraw/zinc/04/43/36/1020044336.db2.gz UEKUJJJPHFWPDJ-LFIBNONCSA-N -1 0 322.360 3.671 20 30 DHEDRM CC(C)CNC(=S)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000730954976 1020046113 /nfs/dbraw/zinc/04/61/13/1020046113.db2.gz QKBIAXUGTLVFAJ-LBPRGKRZSA-N -1 0 307.488 3.881 20 30 DHEDRM Cc1cc(F)ccc1C(=O)/C=C\c1ccc([O-])c([N+](=O)[O-])c1 ZINC000731321235 1020090130 /nfs/dbraw/zinc/09/01/30/1020090130.db2.gz GZAAPXVENMWLTE-KXFIGUGUSA-N -1 0 301.273 3.644 20 30 DHEDRM Cc1cc(F)ccc1C(=O)/C=C/c1ccc([N+](=O)[O-])c([O-])c1 ZINC000731317958 1020094455 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C=CCN(CC(=O)[O-])Cc1c(OC(C)C)ccc2ccccc21 ZINC000846263642 1031946846 /nfs/dbraw/zinc/94/68/46/1031946846.db2.gz PWZUQTFRIOAFEQ-UHFFFAOYSA-N -1 0 313.397 3.700 20 30 DHEDRM CC(C)c1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cn1 ZINC000361517471 1031967095 /nfs/dbraw/zinc/96/70/95/1031967095.db2.gz DIJUIFGSNNWLAZ-CQSZACIVSA-N -1 0 316.364 3.638 20 30 DHEDRM CC(C)c1ncncc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000361541479 1031975956 /nfs/dbraw/zinc/97/59/56/1031975956.db2.gz PUSIRZKVSFRTEF-HNNXBMFYSA-N -1 0 316.364 3.638 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])c2coc3cc(F)ccc32)n1 ZINC000361648757 1032034636 /nfs/dbraw/zinc/03/46/36/1032034636.db2.gz UFXGGTRJTAJYAP-NSHDSACASA-N -1 0 300.314 3.827 20 30 DHEDRM CC(C)c1occc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000361650689 1032039616 /nfs/dbraw/zinc/03/96/16/1032039616.db2.gz BRYHDQAASYFYBF-CYBMUJFWSA-N -1 0 307.353 3.780 20 30 DHEDRM C=C[C@@H](C)O[N-]C(=O)[C@H](CC)c1ccc(Br)cc1 ZINC000862133313 1033768034 /nfs/dbraw/zinc/76/80/34/1033768034.db2.gz 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CN(Cc1cc2ccccc2o1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830811270 601120468 /nfs/dbraw/zinc/12/04/68/601120468.db2.gz XZXXQROKJNVRSZ-SFHVURJKSA-N -1 0 320.348 3.562 20 30 DHEDRM CC(C)OCc1cccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000827033680 601302845 /nfs/dbraw/zinc/30/28/45/601302845.db2.gz ODDTVQRLBLBWNI-SFHVURJKSA-N -1 0 324.380 3.721 20 30 DHEDRM CCOc1cc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1C ZINC000830050120 601304128 /nfs/dbraw/zinc/30/41/28/601304128.db2.gz YIBRMTGHBLHPBO-QGZVFWFLSA-N -1 0 310.353 3.503 20 30 DHEDRM CCSc1cccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000830169657 601304980 /nfs/dbraw/zinc/30/49/80/601304980.db2.gz VHBNSJGZGGYGBA-MRXNPFEDSA-N -1 0 312.394 3.908 20 30 DHEDRM N#Cc1cccc([C@H](Nc2ccc(OCC3CC3)cc2)C(=O)[O-])c1 ZINC000833076496 601305856 /nfs/dbraw/zinc/30/58/56/601305856.db2.gz WEEXWOWBMJYCPR-SFHVURJKSA-N -1 0 322.364 3.585 20 30 DHEDRM CN(Cc1ccc(Cl)s1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830825148 601309277 /nfs/dbraw/zinc/30/92/77/601309277.db2.gz CHIMPJXWKGCNJN-AWEZNQCLSA-N -1 0 320.801 3.531 20 30 DHEDRM CC(C)c1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000827118381 601343918 /nfs/dbraw/zinc/34/39/18/601343918.db2.gz VAQXMHZLDGTTDV-KRWDZBQOSA-N -1 0 323.348 3.664 20 30 DHEDRM Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1ccc(C(=O)[O-])[nH]1 ZINC000832994301 601445528 /nfs/dbraw/zinc/44/55/28/601445528.db2.gz QBFFNKIWAZKCEX-SOFGYWHQSA-N -1 0 318.398 3.671 20 30 DHEDRM O=C([O-])c1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c[nH]1 ZINC000833297321 601791484 /nfs/dbraw/zinc/79/14/84/601791484.db2.gz FKQXTGBERXZVJD-DAFODLJHSA-N -1 0 310.136 3.916 20 30 DHEDRM O=C([O-])c1cc(/C=C/C(=O)c2ccc(-c3ccncc3)cc2)c[nH]1 ZINC000833092857 601794045 /nfs/dbraw/zinc/79/40/45/601794045.db2.gz OPSJTZFUERCUHT-LZCJLJQNSA-N -1 0 318.332 3.671 20 30 DHEDRM Cc1ccc(OC(F)F)c(C(=O)/C=C/c2ccoc2C(=O)[O-])c1 ZINC000832950454 601881855 /nfs/dbraw/zinc/88/18/55/601881855.db2.gz FVISHZFHFMZCES-ONEGZZNKSA-N -1 0 322.263 3.784 20 30 DHEDRM C[C@H](Oc1ccc(/C=C\C(=O)c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000794692128 602105458 /nfs/dbraw/zinc/10/54/58/602105458.db2.gz UXDJAIIHPFFBRF-MCWZUMHDSA-N -1 0 314.312 3.574 20 30 DHEDRM O=C([O-])N1CCc2cc(N=Cc3cc(Cl)ccc3O)ccc21 ZINC000740529501 602232167 /nfs/dbraw/zinc/23/21/67/602232167.db2.gz KKMXVQWFYMMAPY-UHFFFAOYSA-N -1 0 316.744 3.837 20 30 DHEDRM CC1(C)Cc2cc(N[C@H](C(=O)[O-])c3ccc(C#N)cc3)ccc2O1 ZINC000828078673 602303471 /nfs/dbraw/zinc/30/34/71/602303471.db2.gz MYESFDOYQGZPCB-KRWDZBQOSA-N -1 0 322.364 3.510 20 30 DHEDRM N#CCc1cccc(-c2nc(-c3cccc(NC(=O)[O-])c3)no2)c1 ZINC000831109614 603643209 /nfs/dbraw/zinc/64/32/09/603643209.db2.gz ORZPXDSDMONXDG-UHFFFAOYSA-N -1 0 320.308 3.560 20 30 DHEDRM N#Cc1cccc(CNc2ccc3c(c2)CCCN3C(=O)[O-])c1 ZINC000831146832 604215086 /nfs/dbraw/zinc/21/50/86/604215086.db2.gz ZYSBYQVKPWWFMJ-UHFFFAOYSA-N -1 0 307.353 3.601 20 30 DHEDRM C=CCC[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000825664536 604558526 /nfs/dbraw/zinc/55/85/26/604558526.db2.gz CZASQVUUTYIXRC-CYBMUJFWSA-N -1 0 315.394 3.884 20 30 DHEDRM C=CCN(Cc1ccccc1F)Cc1cccc(C(=O)[O-])c1C#N ZINC000833376071 604604234 /nfs/dbraw/zinc/60/42/34/604604234.db2.gz MTTCCLPMUKFSDA-UHFFFAOYSA-N -1 0 324.355 3.584 20 30 DHEDRM CC(C)N(Cc1cccs1)Cc1cccc(C(=O)[O-])c1C#N ZINC000833497853 604604852 /nfs/dbraw/zinc/60/48/52/604604852.db2.gz KJCVAJNZMQUELA-UHFFFAOYSA-N -1 0 314.410 3.729 20 30 DHEDRM CC(C)CN(Cc1cccc(C(=O)[O-])c1C#N)c1cccc(O)c1 ZINC000833489450 604612823 /nfs/dbraw/zinc/61/28/23/604612823.db2.gz QNRCICFEFPXYMP-UHFFFAOYSA-N -1 0 324.380 3.625 20 30 DHEDRM O=C([O-])c1ccc(C(=O)/C=C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000833309959 604628267 /nfs/dbraw/zinc/62/82/67/604628267.db2.gz JXWPUVRRMVUFEO-JHMJBTLWSA-N -1 0 323.304 3.745 20 30 DHEDRM C#CC[C@@H](Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)c1ccccc1 ZINC000833362778 604634312 /nfs/dbraw/zinc/63/43/12/604634312.db2.gz KOXFSGOATATUDH-MRXNPFEDSA-N -1 0 324.336 3.778 20 30 DHEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)C(C)(C)c1ccc(F)cc1 ZINC000763371037 604666605 /nfs/dbraw/zinc/66/66/05/604666605.db2.gz YHRSKXGSAHXXED-UHFFFAOYSA-N -1 0 315.348 3.685 20 30 DHEDRM C=C[C@@H](CC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000761617763 604752133 /nfs/dbraw/zinc/75/21/33/604752133.db2.gz CFDCAYXGFVDPGQ-KXBFYZLASA-N -1 0 323.392 3.631 20 30 DHEDRM C=CCN(CC=C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000833374368 605130946 /nfs/dbraw/zinc/13/09/46/605130946.db2.gz HPIBKKPVVHIJBQ-UHFFFAOYSA-N -1 0 320.414 3.531 20 30 DHEDRM CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)s1 ZINC000026764918 605144617 /nfs/dbraw/zinc/14/46/17/605144617.db2.gz GEZCAAQIZMBGRE-WEVVVXLNSA-N -1 0 316.378 3.670 20 30 DHEDRM CC1(C)c2ccccc2C(=O)/C1=C/c1ccc(OCC(=O)[O-])cc1 ZINC000833555086 605146319 /nfs/dbraw/zinc/14/63/19/605146319.db2.gz PSHXMFZWRLWIPY-BOPFTXTBSA-N -1 0 322.360 3.708 20 30 DHEDRM CC(=[NH+][N-]c1ccc(C(=O)[O-])c(Cl)c1)c1ccc(N)cc1C ZINC000833386490 605156116 /nfs/dbraw/zinc/15/61/16/605156116.db2.gz JTCNJHCHZCIXGU-UHFFFAOYSA-N -1 0 317.776 3.765 20 30 DHEDRM CCN(Cc1ccccc1NCc1ccc(C#N)s1)C(=O)[O-] ZINC000827186678 605245810 /nfs/dbraw/zinc/24/58/10/605245810.db2.gz ASIBKPLYMMDAIX-UHFFFAOYSA-N -1 0 315.398 3.732 20 30 DHEDRM C=C(C)CN(C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000833368241 605399555 /nfs/dbraw/zinc/39/95/55/605399555.db2.gz DLNZYMWEXXHSRM-UHFFFAOYSA-N -1 0 322.430 3.755 20 30 DHEDRM C#CCCCCCC(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000833362071 605623379 /nfs/dbraw/zinc/62/33/79/605623379.db2.gz YGWRDABLOCXHFL-UHFFFAOYSA-N -1 0 305.399 3.846 20 30 DHEDRM CCCC(C#N)(CCC)NC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000826706046 605708964 /nfs/dbraw/zinc/70/89/64/605708964.db2.gz LGTYWASJZOMOJN-UHFFFAOYSA-N -1 0 317.389 3.677 20 30 DHEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001602718674 971375874 /nfs/dbraw/zinc/37/58/74/971375874.db2.gz REEKSGMXAFQFRK-ZBFHGGJFSA-N -1 0 316.401 3.570 20 30 DHEDRM C=CCCC1(CNC(=O)NC[C@@H](CC(C)C)C(=O)[O-])CCCC1 ZINC001602719218 971383023 /nfs/dbraw/zinc/38/30/23/971383023.db2.gz XGLOIHQZAKJYMT-OAHLLOKOSA-N -1 0 324.465 3.559 20 30 DHEDRM CCCCCCCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001589645390 949724669 /nfs/dbraw/zinc/72/46/69/949724669.db2.gz ZGEOOYVDKABKDW-CVEARBPZSA-N -1 0 318.417 3.569 20 30 DHEDRM C=CC[C@H]1N(C(=O)/C=C\c2ccc(C(=O)[O-])o2)CCCC1(C)C ZINC000864156692 955971753 /nfs/dbraw/zinc/97/17/53/955971753.db2.gz ALXNQEHRFRDYBZ-WKTRQSJXSA-N -1 0 317.385 3.584 20 30 DHEDRM N#Cc1ccc(S[C@H](C(=O)[O-])C2CC2)cc1C(F)(F)F ZINC001594626872 956320514 /nfs/dbraw/zinc/32/05/14/956320514.db2.gz JWVQYJVRYONGOL-NSHDSACASA-N -1 0 301.289 3.532 20 30 DHEDRM C=CCSc1ccccc1C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000909382702 957014033 /nfs/dbraw/zinc/01/40/33/957014033.db2.gz MPVYTEJYFNRZCL-UHFFFAOYSA-N -1 0 321.442 3.586 20 30 DHEDRM O=C([O-])c1ccc(/C=C/C(=O)c2cccc(OC(F)F)c2)cc1 ZINC000013351708 957036542 /nfs/dbraw/zinc/03/65/42/957036542.db2.gz SCORBMWNTJVTBZ-RMKNXTFCSA-N -1 0 318.275 3.882 20 30 DHEDRM C=C[C@H](C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001588450331 958390620 /nfs/dbraw/zinc/39/06/20/958390620.db2.gz FIGRNKPRFFHTQU-DOTOQJQBSA-N -1 0 321.376 3.561 20 30 DHEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001588457741 958454345 /nfs/dbraw/zinc/45/43/45/958454345.db2.gz LAXPPBJSTZRZFP-ARFHVFGLSA-N -1 0 324.465 3.558 20 30 DHEDRM C=CCCc1ccccc1NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001588460422 958475122 /nfs/dbraw/zinc/47/51/22/958475122.db2.gz GLJPCKYBYZLQSH-INIZCTEOSA-N -1 0 301.386 3.635 20 30 DHEDRM C=CCN(CC1CCCCC1)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001588463484 958485059 /nfs/dbraw/zinc/48/50/59/958485059.db2.gz SXBSSSFDNNSZOK-PKNBQFBNSA-N -1 0 317.385 3.586 20 30 DHEDRM CCCCCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000236841097 960772187 /nfs/dbraw/zinc/77/21/87/960772187.db2.gz MGKHDJGEXSQUGM-HNNXBMFYSA-N -1 0 309.381 3.818 20 30 DHEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)CC3CC3)c2)c1 ZINC001334229195 961800394 /nfs/dbraw/zinc/80/03/94/961800394.db2.gz HRAGTIDRKDNKEL-UHFFFAOYSA-N -1 0 319.360 3.523 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](c1ccc(Cl)cc1)C(C)C ZINC001573332021 962823172 /nfs/dbraw/zinc/82/31/72/962823172.db2.gz CKDDCGVZVACVPL-HNNXBMFYSA-N -1 0 309.793 3.574 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N1CCCCC[C@H]1c1cccc(C)c1 ZINC001573332089 962824460 /nfs/dbraw/zinc/82/44/60/962824460.db2.gz IMHDCZKGJHZSPO-KRWDZBQOSA-N -1 0 315.413 3.860 20 30 DHEDRM C=C1CCC(CNC(=O)Nc2ccc(C(=O)[O-])cc2CC)CC1 ZINC001573344127 962913117 /nfs/dbraw/zinc/91/31/17/962913117.db2.gz OXSUXEZSSSXNBZ-UHFFFAOYSA-N -1 0 316.401 3.815 20 30 DHEDRM C=CC(C)(C)CCCNC(=O)c1[nH]c(C)c(C(=O)[O-])c1CCC ZINC001573346782 962941971 /nfs/dbraw/zinc/94/19/71/962941971.db2.gz GNHQESCXJPYPIE-UHFFFAOYSA-N -1 0 320.433 3.696 20 30 DHEDRM C=CCC1(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])CCCCC1 ZINC001573353508 963003837 /nfs/dbraw/zinc/00/38/37/963003837.db2.gz XNTYCCIWOZVHSB-MRXNPFEDSA-N -1 0 321.461 3.910 20 30 DHEDRM C=CCCC[C@@H](NC(=O)CCCc1ccccc1Cl)C(=O)[O-] ZINC001573357133 963013660 /nfs/dbraw/zinc/01/36/60/963013660.db2.gz JPRMHZZAAKTXDS-OAHLLOKOSA-N -1 0 323.820 3.588 20 30 DHEDRM C=CCCCCCCCNC(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001573366711 963060990 /nfs/dbraw/zinc/06/09/90/963060990.db2.gz PAOIBOQHOROSSR-UHFFFAOYSA-N -1 0 319.405 3.736 20 30 DHEDRM CCCCCCCCCCNC(=O)N1CCC(C(=O)[O-])CC1 ZINC000316611892 964030495 /nfs/dbraw/zinc/03/04/95/964030495.db2.gz QYWMIQXCWSONHY-UHFFFAOYSA-N -1 0 312.454 3.633 20 30 DHEDRM CC(=CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21)C1CC1 ZINC000120982422 1013656114 /nfs/dbraw/zinc/65/61/14/1013656114.db2.gz FBIOPWCRERKSHY-KLQCNHIUSA-N -1 0 306.365 3.724 20 30 DHEDRM N#CC(=C([O-])c1nccs1)c1nc(-c2ccccc2)cs1 ZINC000683689890 1013858074 /nfs/dbraw/zinc/85/80/74/1013858074.db2.gz RRRVPEHCUDTWOH-LLVKDONJSA-N -1 0 311.391 3.757 20 30 DHEDRM O=C([N-]S(=O)(=O)C1CCCCC1)C1CCCCCCC1 ZINC000076905319 1013854616 /nfs/dbraw/zinc/85/46/16/1013854616.db2.gz FNZCLDHCZYYHSU-UHFFFAOYSA-N -1 0 301.452 3.966 20 30 DHEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C)C2)c1 ZINC000076757646 1013854725 /nfs/dbraw/zinc/85/47/25/1013854725.db2.gz BXCTZUZBGKRIRF-SMDDNHRTSA-N -1 0 309.431 3.775 20 30 DHEDRM O=C([N-]S(=O)(=O)c1ccccc1F)C1CCCCCCC1 ZINC000076765534 1013855263 /nfs/dbraw/zinc/85/52/63/1013855263.db2.gz AZVQDQRDECEQQE-UHFFFAOYSA-N -1 0 313.394 3.831 20 30 DHEDRM C=CC[C@H]1N(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCCC1(C)C ZINC000331294891 1013875222 /nfs/dbraw/zinc/87/52/22/1013875222.db2.gz MXYIAXIWVGPYHU-OAHLLOKOSA-N -1 0 318.373 3.507 20 30 DHEDRM C[C@H](N=c1nc(-c2ccccc2)[n-]s1)c1cccc(C#N)c1 ZINC000610340318 1013946498 /nfs/dbraw/zinc/94/64/98/1013946498.db2.gz WFCZIKVUWHCMNF-LBPRGKRZSA-N -1 0 306.394 3.672 20 30 DHEDRM CC(C)c1ccc(SCC(=O)[N-]S(=O)(=O)C(C)C)cc1 ZINC000049417500 1014093390 /nfs/dbraw/zinc/09/33/90/1014093390.db2.gz UMVQCBHFJVZLQE-UHFFFAOYSA-N -1 0 315.460 3.597 20 30 DHEDRM CC(C)(CCNc1c(C#N)cnc2c(Cl)cccc21)C(=O)[O-] ZINC000592420703 974974215 /nfs/dbraw/zinc/97/42/15/974974215.db2.gz JNMHECTYTKNILW-UHFFFAOYSA-N -1 0 317.776 3.673 20 30 DHEDRM C=C(C)C[C@@H](NC(=O)c1oc2c(c1C)c(C)ccc2C)C(=O)[O-] ZINC000630326701 975253460 /nfs/dbraw/zinc/25/34/60/975253460.db2.gz RYCDZZABCKPNKK-CYBMUJFWSA-N -1 0 315.369 3.507 20 30 DHEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N/C[C@@H](O)c1ccccc1 ZINC000049214165 1014265021 /nfs/dbraw/zinc/26/50/21/1014265021.db2.gz VZWMSGXIXRTKNN-GHIJENOOSA-N -1 0 310.180 3.852 20 30 DHEDRM COc1cc(C=NNc2ccccc2C(=O)[O-])ccc1SC ZINC000746488093 978685785 /nfs/dbraw/zinc/68/57/85/978685785.db2.gz CSVXFWVQEFYWTD-UHFFFAOYSA-N -1 0 316.382 3.561 20 30 DHEDRM CC(CCc1n[nH]c2ccccc21)N=Nc1ccccc1C(=O)[O-] ZINC000782223189 978792730 /nfs/dbraw/zinc/79/27/30/978792730.db2.gz MRNWHODOUATJEH-UHFFFAOYSA-N -1 0 322.368 3.682 20 30 DHEDRM Cc1ccc2cc(C=NNc3cccc(C(=O)[O-])c3)ccc2n1 ZINC000783510754 978793419 /nfs/dbraw/zinc/79/34/19/978793419.db2.gz BGKFSVNFJQXIPZ-UHFFFAOYSA-N -1 0 305.337 3.687 20 30 DHEDRM Cc1ccc(-c2n[nH]cc2C=NNc2cccc(C(=O)[O-])c2)cc1 ZINC000812374578 978868776 /nfs/dbraw/zinc/86/87/76/978868776.db2.gz FTFIYLSAWKDIBX-UHFFFAOYSA-N -1 0 320.352 3.529 20 30 DHEDRM COCC(=NNc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000814687566 978872717 /nfs/dbraw/zinc/87/27/17/978872717.db2.gz LJBNGBIZOOVHGT-UHFFFAOYSA-N -1 0 318.760 3.501 20 30 DHEDRM COc1cc(C(=O)[O-])ccc1N=NC1CC(c2ccccc2)C1 ZINC000814887597 978895957 /nfs/dbraw/zinc/89/59/57/978895957.db2.gz UHJAUMICDSKMMO-UHFFFAOYSA-N -1 0 310.353 3.739 20 30 DHEDRM Cc1csc(C(C#N)=C([O-])C=CSc2ccccc2)n1 ZINC000255262837 1014546231 /nfs/dbraw/zinc/54/62/31/1014546231.db2.gz BOUJGKYSPUFXSH-MEJMFZKBSA-N -1 0 300.408 3.934 20 30 DHEDRM Cc1c(NCc2ccc(N(C)CCC#N)cc2)cccc1C(=O)[O-] ZINC000841800317 979312183 /nfs/dbraw/zinc/31/21/83/979312183.db2.gz CQBODUSBXRHFOH-UHFFFAOYSA-N -1 0 323.396 3.655 20 30 DHEDRM CC(=NNc1cccc(C(=O)[O-])c1C)c1sc(C)nc1C ZINC000844624276 979397477 /nfs/dbraw/zinc/39/74/77/979397477.db2.gz VJQDXEJDBJLFNA-UHFFFAOYSA-N -1 0 303.387 3.603 20 30 DHEDRM C[C@H](Cc1ccc(NCc2ccc(F)c(C#N)c2)cc1)C(=O)[O-] ZINC001592877940 979747085 /nfs/dbraw/zinc/74/70/85/979747085.db2.gz RYLTXSALVSNIAH-GFCCVEGCSA-N -1 0 312.344 3.573 20 30 DHEDRM CC[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1C)C(=O)[O-] ZINC001595318026 980497481 /nfs/dbraw/zinc/49/74/81/980497481.db2.gz FQQMNYPVAJIPGO-MRXNPFEDSA-N -1 0 310.353 3.934 20 30 DHEDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1cc(C#N)cs1 ZINC001595360018 980747112 /nfs/dbraw/zinc/74/71/12/980747112.db2.gz AMENUBSGALMSAK-MRXNPFEDSA-N -1 0 314.410 3.658 20 30 DHEDRM CCCCCCCNC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001595704684 982277913 /nfs/dbraw/zinc/27/79/13/982277913.db2.gz VXCDOBNMKKLXIE-UHFFFAOYSA-N -1 0 306.406 3.796 20 30 DHEDRM CCCCCCCC[C@H](C)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001595705187 982282475 /nfs/dbraw/zinc/28/24/75/982282475.db2.gz RAMJBHWVGUEABC-UTSKFRMZSA-N -1 0 323.477 3.989 20 30 DHEDRM CCC(=NNc1cccc(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000915935182 982670690 /nfs/dbraw/zinc/67/06/90/982670690.db2.gz AJMCAZYYKQIJJG-UHFFFAOYSA-N -1 0 313.313 3.519 20 30 DHEDRM N#Cc1cccc(O[N-]C(=O)Cc2cccc(Cl)c2Cl)c1 ZINC001171255301 1032104743 /nfs/dbraw/zinc/10/47/43/1032104743.db2.gz FGRKQYZHESFEFL-UHFFFAOYSA-N -1 0 321.163 3.518 20 30 DHEDRM C#C[C@H](N[C@@H](C(=O)[O-])c1ccccc1)c1ccc(Cl)cc1F ZINC001588377627 983357740 /nfs/dbraw/zinc/35/77/40/983357740.db2.gz OCDLKNIKKHYKCP-JKSUJKDBSA-N -1 0 317.747 3.569 20 30 DHEDRM C#CCC(C)(C)C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001588384077 983386955 /nfs/dbraw/zinc/38/69/55/983386955.db2.gz URJMOWLWRQUZTB-UHFFFAOYSA-N -1 0 301.367 3.588 20 30 DHEDRM C#Cc1ccc(N[C@H](C)c2ncc(C(=O)[O-])s2)c(Cl)c1 ZINC001588517932 983566876 /nfs/dbraw/zinc/56/68/76/983566876.db2.gz JVLLVKQHYAOLDZ-MRVPVSSYSA-N -1 0 306.774 3.649 20 30 DHEDRM C=C(C)COc1cccc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@H]2C)c1 ZINC001588573784 983654102 /nfs/dbraw/zinc/65/41/02/983654102.db2.gz WWUKPORNXBTNSF-JKIFEVAISA-N -1 0 303.402 3.943 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 ZINC001588611930 983700990 /nfs/dbraw/zinc/70/09/90/983700990.db2.gz CBBFFZOMEIJWHP-UHFFFAOYSA-N -1 0 315.413 3.722 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N(CCCC)Cc1ccccc1Cl ZINC001588612138 983701822 /nfs/dbraw/zinc/70/18/22/983701822.db2.gz JKEVYIKYYVDTRS-UHFFFAOYSA-N -1 0 323.820 3.890 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)N1C[C@@H](C(C)(C)C)Cc2ccccc21 ZINC001588612336 983702637 /nfs/dbraw/zinc/70/26/37/983702637.db2.gz NIPAGAMOSCNQBD-HNNXBMFYSA-N -1 0 315.413 3.659 20 30 DHEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(COC(C)(C)C)c1C ZINC001588633472 983749520 /nfs/dbraw/zinc/74/95/20/983749520.db2.gz IRELDZZNERKZLG-UHFFFAOYSA-N -1 0 319.401 3.670 20 30 DHEDRM C=C1CCC(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001588649884 983770922 /nfs/dbraw/zinc/77/09/22/983770922.db2.gz JWZQDXFFNDCQTD-CLFYSBASSA-N -1 0 316.357 3.851 20 30 DHEDRM C=C[C@H](C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccccc1 ZINC001588664565 983801953 /nfs/dbraw/zinc/80/19/53/983801953.db2.gz RSSKZAALFPBMQT-JCGIZDLHSA-N -1 0 323.392 3.534 20 30 DHEDRM C=CC(C)(C)CC(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001588673264 983829845 /nfs/dbraw/zinc/82/98/45/983829845.db2.gz OEPKCPQZZZFPEZ-KRWDZBQOSA-N -1 0 323.820 3.748 20 30 DHEDRM C=C[C@H](S[C@@H](C)c1cccc(Br)c1)C(=O)[O-] ZINC001588714411 983951214 /nfs/dbraw/zinc/95/12/14/983951214.db2.gz GOCHZAYVVZRRSB-KWQFWETISA-N -1 0 301.205 3.883 20 30 DHEDRM C=C[C@H]1CCCCN1C(=O)Nc1sc(CC)cc1C(=O)[O-] ZINC001588719693 983962250 /nfs/dbraw/zinc/96/22/50/983962250.db2.gz WYSSNBMATJLMCJ-JTQLQIEISA-N -1 0 308.403 3.581 20 30 DHEDRM C=CCC(C)(C)C(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C ZINC001588736268 984024124 /nfs/dbraw/zinc/02/41/24/984024124.db2.gz FZYUOCNDAYABAG-UHFFFAOYSA-N -1 0 315.369 3.693 20 30 DHEDRM C=CC[C@H](Nc1ccccc1COCc1ccccc1)C(=O)[O-] ZINC001588752022 984079605 /nfs/dbraw/zinc/07/96/05/984079605.db2.gz SYLYPUQZKDQFLF-SFHVURJKSA-N -1 0 311.381 3.845 20 30 DHEDRM C=CCC1(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)CCCCC1 ZINC001588761810 984114309 /nfs/dbraw/zinc/11/43/09/984114309.db2.gz BWOWEACOSNMVIO-UHFFFAOYSA-N -1 0 319.401 3.771 20 30 DHEDRM C=CCC1(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)CCC1 ZINC001588764926 984124085 /nfs/dbraw/zinc/12/40/85/984124085.db2.gz LNDTWCPXMHIBPZ-UHFFFAOYSA-N -1 0 311.740 3.862 20 30 DHEDRM C=CCC1(CNC(=O)Nc2cc(C(=O)[O-])ccc2F)CCCC1 ZINC001588767370 984130017 /nfs/dbraw/zinc/13/00/17/984130017.db2.gz XYPKFUGZHUYFTM-UHFFFAOYSA-N -1 0 320.364 3.782 20 30 DHEDRM C=CCCC1(CNC(=O)c2cc(C)c(C(=O)[O-])o2)CCCC1 ZINC001588781918 984169270 /nfs/dbraw/zinc/16/92/70/984169270.db2.gz LMAOLCMSZHTWIR-UHFFFAOYSA-N -1 0 305.374 3.543 20 30 DHEDRM C=CCCC1(CNC(=O)c2ccc(C(=O)[O-])cc2F)CCCC1 ZINC001588782628 984173385 /nfs/dbraw/zinc/17/33/85/984173385.db2.gz XAHDODQZQRVGSV-UHFFFAOYSA-N -1 0 319.376 3.780 20 30 DHEDRM C=CCCC[C@H](C(=O)NCCC(C)(C)C(=O)[O-])c1ccccc1 ZINC001588783044 984176156 /nfs/dbraw/zinc/17/61/56/984176156.db2.gz VGRAWHXJDKGUOV-INIZCTEOSA-N -1 0 317.429 3.744 20 30 DHEDRM C=CCCC[C@@H](NC(=O)/C(C)=C/c1ccc(Cl)cc1)C(=O)[O-] ZINC001588784704 984177573 /nfs/dbraw/zinc/17/75/73/984177573.db2.gz 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ZINC001588799719 984240757 /nfs/dbraw/zinc/24/07/57/984240757.db2.gz CJTOEVTWXFJLGJ-UHFFFAOYSA-N -1 0 322.380 3.663 20 30 DHEDRM C=CCN(Cc1cccs1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001588831555 984314777 /nfs/dbraw/zinc/31/47/77/984314777.db2.gz ABUFAOQZNKXPAR-UHFFFAOYSA-N -1 0 322.411 3.728 20 30 DHEDRM C=CCOc1cccc(CNc2ccc(C(=O)[O-])c(OC)c2)c1 ZINC001588873013 984444221 /nfs/dbraw/zinc/44/42/21/984444221.db2.gz ZSCLYEWBVUUQRJ-UHFFFAOYSA-N -1 0 313.353 3.570 20 30 DHEDRM C=CCc1ccc(OCc2cc(C(=O)[O-])oc2C)c(OC)c1 ZINC001588886419 984471741 /nfs/dbraw/zinc/47/17/41/984471741.db2.gz HPHUNRZLWSGSBY-UHFFFAOYSA-N -1 0 302.326 3.602 20 30 DHEDRM CC#CCCCC(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC001588926995 984595985 /nfs/dbraw/zinc/59/59/85/984595985.db2.gz IFAJJRASJADESS-UHFFFAOYSA-N -1 0 316.378 3.836 20 30 DHEDRM CC#CCCOc1c(Cl)cc(C(=O)[O-])cc1Br ZINC001588931116 984601448 /nfs/dbraw/zinc/60/14/48/984601448.db2.gz LGVBQPWCVJACGZ-UHFFFAOYSA-N -1 0 317.566 3.593 20 30 DHEDRM CC(=NNCc1ccc(Cl)cc1)c1cc(C(=O)[O-])cs1 ZINC001589016549 984996319 /nfs/dbraw/zinc/99/63/19/984996319.db2.gz AIRTUMBPJDWYME-UHFFFAOYSA-N -1 0 308.790 3.614 20 30 DHEDRM Cc1c(C#N)cccc1NC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001599974434 986066262 /nfs/dbraw/zinc/06/62/62/986066262.db2.gz CJQUYWBAAOPAAB-LBPRGKRZSA-N -1 0 323.352 3.699 20 30 DHEDRM CCOc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cc1F ZINC001597081118 986622748 /nfs/dbraw/zinc/62/27/48/986622748.db2.gz AEOADXWBBKHFOP-OQFOIZHKSA-N -1 0 314.312 3.819 20 30 DHEDRM CCSc1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cc1 ZINC001597271148 987318081 /nfs/dbraw/zinc/31/80/81/987318081.db2.gz WPSMDMAEESSVAO-BAQGIRSFSA-N -1 0 301.367 3.721 20 30 DHEDRM CC(C)[C@H](C#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843572037 1015314192 /nfs/dbraw/zinc/31/41/92/1015314192.db2.gz STZMECIDFILNFL-JTQLQIEISA-N -1 0 321.154 3.750 20 30 DHEDRM CCc1ccc(C(C)(C)CNc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001597509106 988089020 /nfs/dbraw/zinc/08/90/20/988089020.db2.gz 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1018340516 /nfs/dbraw/zinc/34/05/16/1018340516.db2.gz ZQKUVHHBBQCWEC-UHFFFAOYSA-N -1 0 323.274 3.635 20 30 DHEDRM N#CC(=C([O-])c1ccc(C2CC2)cn1)c1nc2ccccc2o1 ZINC000447210698 1018352199 /nfs/dbraw/zinc/35/21/99/1018352199.db2.gz ZOIRUPZKQUEVEO-ZDUSSCGKSA-N -1 0 303.321 3.590 20 30 DHEDRM N#Cc1c(F)ccc(F)c1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203334491 1032759123 /nfs/dbraw/zinc/75/91/23/1032759123.db2.gz VLCIRTWQTIJKKD-UHFFFAOYSA-N -1 0 310.206 3.556 20 30 DHEDRM O=C([O-])c1cc(N=NCCCC2CCOCC2)ccc1Cl ZINC000764885584 1018417669 /nfs/dbraw/zinc/41/76/69/1018417669.db2.gz KKEUKMCEBLURNY-UHFFFAOYSA-N -1 0 310.781 3.643 20 30 DHEDRM Cc1nc(Br)ccc1Nc1scc([O-])c1C#N ZINC001212563082 1018489472 /nfs/dbraw/zinc/48/94/72/1018489472.db2.gz CADLXHYQJCHDTM-UHFFFAOYSA-N -1 0 310.176 3.535 20 30 DHEDRM CC(C)N(C)c1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cn1 ZINC000588579833 1018584578 /nfs/dbraw/zinc/58/45/78/1018584578.db2.gz WULYIXBLGWBTPE-DAXSKMNVSA-N -1 0 314.360 3.667 20 30 DHEDRM Cc1ccc(Nc2cnc(C#N)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC001211596923 1018669249 /nfs/dbraw/zinc/66/92/49/1018669249.db2.gz PKNCBSUQLFATIQ-UHFFFAOYSA-N -1 0 321.258 3.722 20 30 DHEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000007056881 1019000005 /nfs/dbraw/zinc/00/00/05/1019000005.db2.gz SKJOGGJYHUDBAI-UHFFFAOYSA-N -1 0 308.362 3.512 20 30 DHEDRM CCC(C#N)(CC)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000923102466 1019026387 /nfs/dbraw/zinc/02/63/87/1019026387.db2.gz LXJFTXNSFNDPPR-UHFFFAOYSA-N -1 0 310.353 3.806 20 30 DHEDRM Cc1cc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)c(C)s1 ZINC000213708541 1019034746 /nfs/dbraw/zinc/03/47/46/1019034746.db2.gz RXHXNVIYAQWSIA-HYXAFXHYSA-N -1 0 303.339 3.875 20 30 DHEDRM O=C(C=Cc1cncc(Br)c1)c1sccc1[O-] ZINC000588598846 1019286110 /nfs/dbraw/zinc/28/61/10/1019286110.db2.gz HQVHAJYQXPHZBO-UPHRSURJSA-N -1 0 310.172 3.507 20 30 DHEDRM O=C([O-])c1ccccc1NN=Cc1cnc(-c2ccccc2)s1 ZINC000727253367 1019670853 /nfs/dbraw/zinc/67/08/53/1019670853.db2.gz 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ZINC000647379370 1020260937 /nfs/dbraw/zinc/26/09/37/1020260937.db2.gz CZFDVUVRSZOKGT-GFCCVEGCSA-N -1 0 323.377 3.960 20 30 DHEDRM Cc1ccc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)cc1C ZINC000733205382 1020346083 /nfs/dbraw/zinc/34/60/83/1020346083.db2.gz UBOPMCZXXBZZER-CLFYSBASSA-N -1 0 310.349 3.663 20 30 DHEDRM CCn1c(C)cc(C([O-])=C(C#N)c2nc3ccccc3o2)c1C ZINC000054734254 1020398365 /nfs/dbraw/zinc/39/83/65/1020398365.db2.gz APPQBDKHOPLBSG-CQSZACIVSA-N -1 0 307.353 3.756 20 30 DHEDRM O=C1c2cc(F)ccc2OCC/C1=C\c1cc(F)c([O-])c(F)c1 ZINC000255843400 1020427975 /nfs/dbraw/zinc/42/79/75/1020427975.db2.gz RWSMNPTVFCLPIP-BJMVGYQFSA-N -1 0 320.266 3.858 20 30 DHEDRM COc1cccc2cc(C([O-])=C(C#N)c3nc(C)cs3)oc21 ZINC000073973864 1020514320 /nfs/dbraw/zinc/51/43/20/1020514320.db2.gz QBKXJWJAPKEYKR-LLVKDONJSA-N -1 0 312.350 3.696 20 30 DHEDRM Cc1n[nH]c(C)c1/C=C/C(=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000766033920 1020515874 /nfs/dbraw/zinc/51/58/74/1020515874.db2.gz LFCMYQAJRCKRJL-ONEGZZNKSA-N -1 0 311.168 3.935 20 30 DHEDRM CC(C)(C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1cccs1 ZINC000733902819 1020518904 /nfs/dbraw/zinc/51/89/04/1020518904.db2.gz AIPVKJFRLBBTDE-CXUHLZMHSA-N -1 0 304.371 3.759 20 30 DHEDRM CCc1cc(C#N)ccc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212513332 1020585668 /nfs/dbraw/zinc/58/56/68/1020585668.db2.gz LQLVBOYGMDVKLM-UHFFFAOYSA-N -1 0 302.280 3.841 20 30 DHEDRM N#Cc1cc(Cl)ccc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212514161 1020587934 /nfs/dbraw/zinc/58/79/34/1020587934.db2.gz FQYRCOOKLHNJPT-UHFFFAOYSA-N -1 0 308.671 3.932 20 30 DHEDRM C[Si](C)(C)C#Cc1ccc(-c2ccc(C(=O)[O-])s2)nc1 ZINC001240844843 1020816496 /nfs/dbraw/zinc/81/64/96/1020816496.db2.gz YATWYQLPBUUKLC-UHFFFAOYSA-N -1 0 301.443 3.737 20 30 DHEDRM Cc1ccc(CC(=O)[N-]S(=O)(=O)C=Cc2ccccc2)s1 ZINC000066504041 1020893706 /nfs/dbraw/zinc/89/37/06/1020893706.db2.gz KKJKZQUHYNMNNA-KTKRTIGZSA-N -1 0 321.423 3.556 20 30 DHEDRM O=C(/C=C\c1cc(Cl)ccc1[N+](=O)[O-])c1ccc([O-])c(F)c1 ZINC000739424763 1020909659 /nfs/dbraw/zinc/90/96/59/1020909659.db2.gz KUUJCIVORZWDNP-KTAJNNJTSA-N -1 0 321.691 3.989 20 30 DHEDRM CC[C@@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccncc1 ZINC000741466630 1021009862 /nfs/dbraw/zinc/00/98/62/1021009862.db2.gz YOLJHQIETBWJGE-ODGFMFMFSA-N -1 0 319.748 3.919 20 30 DHEDRM COc1cc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)ccc1F ZINC000255900332 1021084073 /nfs/dbraw/zinc/08/40/73/1021084073.db2.gz GTZRWMJRFSDEOJ-DJWKRKHSSA-N -1 0 308.255 3.714 20 30 DHEDRM COCc1csc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000659115221 1021178392 /nfs/dbraw/zinc/17/83/92/1021178392.db2.gz RTIDLAZCVIZVSY-LLVKDONJSA-N -1 0 320.439 3.964 20 30 DHEDRM C=CCCC1(CNC(=O)CC2CCC(C(=O)[O-])CC2)CCCC1 ZINC000659165910 1021217591 /nfs/dbraw/zinc/21/75/91/1021217591.db2.gz HSILNNLQHLQJHG-UHFFFAOYSA-N -1 0 321.461 3.910 20 30 DHEDRM CCC(=NNc1ccc(C(=O)[O-])cc1)c1cc(F)ccc1F ZINC000743418696 1021289799 /nfs/dbraw/zinc/28/97/99/1021289799.db2.gz GZJQQHXSKBPFNY-UHFFFAOYSA-N -1 0 304.296 3.889 20 30 DHEDRM CCOc1ccccc1/C=C/C(=O)c1ccc(C(=O)[O-])s1 ZINC000007333320 1021456698 /nfs/dbraw/zinc/45/66/98/1021456698.db2.gz SFPVVRKNYDFUFW-BQYQJAHWSA-N -1 0 302.351 3.741 20 30 DHEDRM CCOc1cccc([C@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000745011983 1021634839 /nfs/dbraw/zinc/63/48/39/1021634839.db2.gz DLNYCNVOHSFUNN-SJWFJVLYSA-N -1 0 314.341 3.879 20 30 DHEDRM Cc1oc(C2CC2)nc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000556915623 1021945298 /nfs/dbraw/zinc/94/52/98/1021945298.db2.gz NNMGALMEWDARER-LBPRGKRZSA-N -1 0 320.352 3.535 20 30 DHEDRM Cc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)no1 ZINC000066801541 1022148059 /nfs/dbraw/zinc/14/80/59/1022148059.db2.gz XXLNEFSMHWSYAD-LLVKDONJSA-N -1 0 301.371 3.630 20 30 DHEDRM C=CCOc1ccccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000041540174 1022170149 /nfs/dbraw/zinc/17/01/49/1022170149.db2.gz ZEVAZBBXYVIZQP-CQSZACIVSA-N -1 0 318.332 3.883 20 30 DHEDRM Cc1ccoc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000041557886 1022172620 /nfs/dbraw/zinc/17/26/20/1022172620.db2.gz ARTORODLWAIERM-SNVBAGLBSA-N -1 0 315.279 3.823 20 30 DHEDRM Cc1nc2ccc(N=Cc3cc([N+](=O)[O-])ccc3[O-])cc2s1 ZINC000920943248 1022192294 /nfs/dbraw/zinc/19/22/94/1022192294.db2.gz URSWRJFKSWXTBA-UHFFFAOYSA-N -1 0 313.338 3.969 20 30 DHEDRM CN(C)c1ccc(Cl)cc1N=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000920943807 1022193997 /nfs/dbraw/zinc/19/39/97/1022193997.db2.gz JGGQPADHMIBQNE-UHFFFAOYSA-N -1 0 319.748 3.770 20 30 DHEDRM COc1ccc(C(=O)/C=C\c2cc(C)cc(C)c2)cc1CC(=O)[O-] ZINC000921265623 1022240973 /nfs/dbraw/zinc/24/09/73/1022240973.db2.gz NPXWEUFMVJLJPK-XQRVVYSFSA-N -1 0 324.376 3.835 20 30 DHEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)c(Cl)c1 ZINC000103329675 1022505752 /nfs/dbraw/zinc/50/57/52/1022505752.db2.gz LSRWQGGTGUHNGL-CQSZACIVSA-N -1 0 320.820 3.667 20 30 DHEDRM COC(=O)CCCC[C@@H](C)C(C)N=Nc1ccccc1C(=O)[O-] ZINC000767763979 1022799352 /nfs/dbraw/zinc/79/93/52/1022799352.db2.gz PYNVGTCOIINCAE-GFCCVEGCSA-N -1 0 320.389 3.542 20 30 DHEDRM CCn1ncc(Cl)c1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000621712226 1022820229 /nfs/dbraw/zinc/82/02/29/1022820229.db2.gz XTKIFBJZBCGMPP-SECBINFHSA-N -1 0 322.821 3.626 20 30 DHEDRM Cc1nsc(C)c1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000644786873 1022913813 /nfs/dbraw/zinc/91/38/13/1022913813.db2.gz VWWILOQLUQHSGX-CYBMUJFWSA-N -1 0 307.378 3.798 20 30 DHEDRM CCCc1ccc(C=C2CCc3c(C#N)c(=O)[n-]cc3C2=O)s1 ZINC000857202530 1022968147 /nfs/dbraw/zinc/96/81/47/1022968147.db2.gz PMTCAOUAVCLVHR-DHZHZOJOSA-N -1 0 324.405 3.885 20 30 DHEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3s2)cnn1C(C)C ZINC000092693904 1023016549 /nfs/dbraw/zinc/01/65/49/1023016549.db2.gz KWXHVFNODPCGAA-GFCCVEGCSA-N -1 0 324.409 3.872 20 30 DHEDRM C=CC[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000617777891 1023060833 /nfs/dbraw/zinc/06/08/33/1023060833.db2.gz ZCCPYVHEFPIXNF-LLVKDONJSA-N -1 0 313.319 3.839 20 30 DHEDRM CCn1nc(/C=C/C(=O)c2ccc(C)cc2[O-])c2ccccc21 ZINC000769746051 1023209035 /nfs/dbraw/zinc/20/90/35/1023209035.db2.gz BGETYQUKRGIWST-ZHACJKMWSA-N -1 0 306.365 3.966 20 30 DHEDRM O=[N+]([O-])c1ccc([O-])cc1C=NNc1c(F)cccc1Cl ZINC000769826629 1023223640 /nfs/dbraw/zinc/22/36/40/1023223640.db2.gz HLCASCCPSVYJGC-UHFFFAOYSA-N -1 0 309.684 3.539 20 30 DHEDRM C[C@@H]1C[C@H](C/N=C/c2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000770568805 1023324387 /nfs/dbraw/zinc/32/43/87/1023324387.db2.gz ODMYSHZUJHUHJP-HUSMWSMPSA-N -1 0 302.201 3.933 20 30 DHEDRM CCOc1cccnc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000093243625 1023549308 /nfs/dbraw/zinc/54/93/08/1023549308.db2.gz OAGNZSJUDJTBMN-CQSZACIVSA-N -1 0 317.348 3.519 20 30 DHEDRM CC(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(C#N)c([O-])c1 ZINC000785533880 1023587801 /nfs/dbraw/zinc/58/78/01/1023587801.db2.gz GTMCMOIOFRURNV-UHFFFAOYSA-N -1 0 320.392 3.980 20 30 DHEDRM CCCCN(C)c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000785587830 1023592233 /nfs/dbraw/zinc/59/22/33/1023592233.db2.gz KWEFCCHKGKGRMI-UHFFFAOYSA-N -1 0 323.396 3.752 20 30 DHEDRM C[C@@H](Oc1cccc(C=NNc2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000746676978 1023785566 /nfs/dbraw/zinc/78/55/66/1023785566.db2.gz OCBPLESNUPJIHA-LLVKDONJSA-N -1 0 318.760 3.638 20 30 DHEDRM Cc1ccc(C(=O)/C=C/c2cccc(OCCC(=O)[O-])c2)s1 ZINC000746683573 1023795756 /nfs/dbraw/zinc/79/57/56/1023795756.db2.gz DHBXJENCOTXQTH-VOTSOKGWSA-N -1 0 316.378 3.806 20 30 DHEDRM CC[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)C(F)(F)F ZINC000787687198 1023812032 /nfs/dbraw/zinc/81/20/32/1023812032.db2.gz QAUPFPBXMXVYHD-QMMMGPOBSA-N -1 0 317.204 3.514 20 30 DHEDRM O=C(/C=C/c1ccsc1Cl)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000790224810 1024256738 /nfs/dbraw/zinc/25/67/38/1024256738.db2.gz HGRNAOIUBWWCHC-HNQUOIGGSA-N -1 0 309.730 3.911 20 30 DHEDRM CC(=Cc1ccc(C2CCC2)cc1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000453025852 1024283394 /nfs/dbraw/zinc/28/33/94/1024283394.db2.gz LWZQZMLQLWKWRM-ZRDIBKRKSA-N -1 0 305.381 3.778 20 30 DHEDRM O=C(/C=C/c1ccnn1-c1ccccc1)c1cc(F)ccc1[O-] ZINC000790600113 1024334582 /nfs/dbraw/zinc/33/45/82/1024334582.db2.gz HOJOYQVLBAMOAJ-VQHVLOKHSA-N -1 0 308.312 3.613 20 30 DHEDRM O=[N+]([O-])c1cc(C=NNc2cccc3ccccc32)ccc1[O-] ZINC000747059822 1024647452 /nfs/dbraw/zinc/64/74/52/1024647452.db2.gz ALTBOEVERGARHU-UHFFFAOYSA-N -1 0 307.309 3.900 20 30 DHEDRM COc1cc(C)ccc1C(=O)/C=C/c1cc([O-])ccc1[N+](=O)[O-] ZINC000772797201 1024673811 /nfs/dbraw/zinc/67/38/11/1024673811.db2.gz LWZGEAGFLADUCU-XBXARRHUSA-N -1 0 313.309 3.514 20 30 DHEDRM Cc1ccc(C(=O)[O-])cc1C(C)N=Nc1cccc(Cl)n1 ZINC000793181687 1024928957 /nfs/dbraw/zinc/92/89/57/1024928957.db2.gz XSGUSAZHRAXDLG-UHFFFAOYSA-N -1 0 303.749 3.578 20 30 DHEDRM N#CC(=C([O-])c1occ2c1CCC2)c1nc2ccccc2s1 ZINC000353418110 1025062847 /nfs/dbraw/zinc/06/28/47/1025062847.db2.gz ZMLXPQUWGDCDKX-GFCCVEGCSA-N -1 0 308.362 3.868 20 30 DHEDRM N#Cc1cc2ccccc2cc1NC(=O)c1cccc(F)c1[O-] ZINC001129674631 1025391786 /nfs/dbraw/zinc/39/17/86/1025391786.db2.gz JTBVJXNCZWISIZ-UHFFFAOYSA-N -1 0 306.296 3.808 20 30 DHEDRM O=C1NCc2c1cccc2N=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000804598122 1025393698 /nfs/dbraw/zinc/39/36/98/1025393698.db2.gz JRXOGNDJQCIOJN-UHFFFAOYSA-N -1 0 321.163 3.693 20 30 DHEDRM O=C(/C=C/c1ccc2ncccc2c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000136514724 1025452760 /nfs/dbraw/zinc/45/27/60/1025452760.db2.gz RHOCVPVUYIGEDF-QPJJXVBHSA-N -1 0 320.304 3.745 20 30 DHEDRM Cc1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)cc1C#N ZINC000805257250 1025568003 /nfs/dbraw/zinc/56/80/03/1025568003.db2.gz VQBOXDHGURCJOX-UHFFFAOYSA-N -1 0 304.708 3.617 20 30 DHEDRM N#CC(=C([O-])c1sccc1C#N)c1nc2ccccc2s1 ZINC000355250030 1025655345 /nfs/dbraw/zinc/65/53/45/1025655345.db2.gz IWJXYQVYWZRZSF-JTQLQIEISA-N -1 0 309.375 3.720 20 30 DHEDRM C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000073766706 1025789600 /nfs/dbraw/zinc/78/96/00/1025789600.db2.gz XNEUZFSKIYEHES-QFYYESIMSA-N -1 0 315.398 3.693 20 30 DHEDRM CSc1ccc(C)c(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1 ZINC000075439928 1025798258 /nfs/dbraw/zinc/79/82/58/1025798258.db2.gz HYXNUZGTYSAXLW-OAHLLOKOSA-N -1 0 311.410 3.614 20 30 DHEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\[C@H]2CCCC2(F)F)c1[O-] ZINC000806550954 1025917360 /nfs/dbraw/zinc/91/73/60/1025917360.db2.gz HEXOQEDVLASAIJ-KCUAXXGYSA-N -1 0 304.680 3.561 20 30 DHEDRM CCOc1ccccc1/C=C1/C[C@H](C(=O)[O-])c2ccccc2C1=O ZINC000806559369 1025920982 /nfs/dbraw/zinc/92/09/82/1025920982.db2.gz APXRKHLPQKZSKN-IFCKCIONSA-N -1 0 322.360 3.924 20 30 DHEDRM Cc1cc(/C=C2/C[C@@H](C(=O)[O-])c3ccccc3C2=O)cc(C)c1O ZINC000806560064 1025921617 /nfs/dbraw/zinc/92/16/17/1025921617.db2.gz IDWVHNJCBCRFMK-CRPZLVSXSA-N -1 0 322.360 3.847 20 30 DHEDRM C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000806558918 1025921877 /nfs/dbraw/zinc/92/18/77/1025921877.db2.gz PJXOIJNKCDONBU-PGJNLMOESA-N -1 0 321.332 3.572 20 30 DHEDRM O=C([O-])[C@@H]1C/C(=C/c2nc(Cl)cs2)C(=O)c2ccccc21 ZINC000806559988 1025922341 /nfs/dbraw/zinc/92/23/41/1025922341.db2.gz HNSRLLMFGARTQV-BPOWMSRESA-N -1 0 319.769 3.635 20 30 DHEDRM CCOc1cccc(/C=C2\C[C@@H](C(=O)[O-])c3ccccc3C2=O)c1 ZINC000806561622 1025923795 /nfs/dbraw/zinc/92/37/95/1025923795.db2.gz WZSXACAENSFUNS-PMXLPMHFSA-N -1 0 322.360 3.924 20 30 DHEDRM COc1ccc(/C=C/C(=O)c2cc(F)ccc2[O-])c(C)c1OC ZINC000806573130 1025931419 /nfs/dbraw/zinc/93/14/19/1025931419.db2.gz FUJUUECRRPBZCB-QPJJXVBHSA-N -1 0 316.328 3.753 20 30 DHEDRM N#Cc1cc(O)cc(C(=O)N2CCCCC[C@@H]2c2ccco2)c1 ZINC000614300797 1026056984 /nfs/dbraw/zinc/05/69/84/1026056984.db2.gz TWBLWXWCLNLNQK-MRXNPFEDSA-N -1 0 310.353 3.614 20 30 DHEDRM N#Cc1cc(O)cc(C(=O)N[C@@H](c2ccccc2)C2CCC2)c1 ZINC000614299394 1026057229 /nfs/dbraw/zinc/05/72/29/1026057229.db2.gz RISNKTZDBDJUBA-SFHVURJKSA-N -1 0 306.365 3.535 20 30 DHEDRM COc1ccc2c(c1F)C/C(=C\c1cc(F)c([O-])c(F)c1)C2=O ZINC000809156057 1026469243 /nfs/dbraw/zinc/46/92/43/1026469243.db2.gz IJAQWVISEMNIQE-RUDMXATFSA-N -1 0 320.266 3.641 20 30 DHEDRM O=C([O-])c1cc(/C=C\C(=O)c2csc(Cl)c2)ccc1O ZINC000809157430 1026470729 /nfs/dbraw/zinc/47/07/29/1026470729.db2.gz PRIQEUHEKWODDV-IWQZZHSRSA-N -1 0 308.742 3.701 20 30 DHEDRM C[C@@H]1c2ccccc2C(=O)/C1=C/c1ccc(OCCC(=O)[O-])cc1 ZINC000809159587 1026471659 /nfs/dbraw/zinc/47/16/59/1026471659.db2.gz SBBRDACAXPROMW-RNEAKCBISA-N -1 0 322.360 3.924 20 30 DHEDRM O=C([O-])c1cc(/C=C/C(=O)c2c(F)cccc2Cl)ccc1O ZINC000809159829 1026471760 /nfs/dbraw/zinc/47/17/60/1026471760.db2.gz XMAVXDGOKMKXNR-FNORWQNLSA-N -1 0 320.703 3.779 20 30 DHEDRM C[C@@H]1c2ccccc2C(=O)/C1=C\c1cccc(OCC(=O)[O-])c1 ZINC000809159893 1026472180 /nfs/dbraw/zinc/47/21/80/1026472180.db2.gz YWFDHFRSLBAOJE-HJPCULJESA-N -1 0 308.333 3.533 20 30 DHEDRM Cc1ccnc(-c2c(Cl)cc(C(=O)[O-])cc2Cl)c1C#N ZINC001244511750 1026702588 /nfs/dbraw/zinc/70/25/88/1026702588.db2.gz VDGLPVOFKUWIPX-UHFFFAOYSA-N -1 0 307.136 3.934 20 30 DHEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(C2=CCCC2)cc1 ZINC000810535309 1026777602 /nfs/dbraw/zinc/77/76/02/1026777602.db2.gz DUEFQSXHEFMZDY-SFHVURJKSA-N -1 0 322.408 3.635 20 30 DHEDRM Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC000041547741 1026815508 /nfs/dbraw/zinc/81/55/08/1026815508.db2.gz QWZZBUWRNBHRDN-GFCCVEGCSA-N -1 0 321.292 3.535 20 30 DHEDRM COc1ccc(F)cc1/C=C/C(=O)c1cc(F)cc(F)c1[O-] ZINC000812243731 1027225748 /nfs/dbraw/zinc/22/57/48/1027225748.db2.gz SYVJIWYPHOVXDK-DUXPYHPUSA-N -1 0 308.255 3.714 20 30 DHEDRM Cc1ccc2c(c1)C(N=Nc1ccccc1C(=O)[O-])CCCO2 ZINC000812445174 1027284604 /nfs/dbraw/zinc/28/46/04/1027284604.db2.gz SMWNUEVEPVLXJD-UHFFFAOYSA-N -1 0 310.353 3.682 20 30 DHEDRM C#C[C@H](NCc1c([O-])ccc(Cl)c1F)c1ccc(F)cc1 ZINC000812795138 1027421555 /nfs/dbraw/zinc/42/15/55/1027421555.db2.gz NDTGNYRUJRCFLZ-AWEZNQCLSA-N -1 0 307.727 3.788 20 30 DHEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000046708688 1027433174 /nfs/dbraw/zinc/43/31/74/1027433174.db2.gz NBEAAVUIDTVSTR-ZDUSSCGKSA-N -1 0 303.383 3.526 20 30 DHEDRM Cc1c(C#N)ccnc1-c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001245000198 1027599341 /nfs/dbraw/zinc/59/93/41/1027599341.db2.gz NNCZVOYPYHMQTC-UHFFFAOYSA-N -1 0 307.136 3.934 20 30 DHEDRM Cc1ccc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)cc1F ZINC000600672362 1027780674 /nfs/dbraw/zinc/78/06/74/1027780674.db2.gz HOAPJAWZXUUPAG-UHFFFAOYSA-N -1 0 315.392 3.838 20 30 DHEDRM CCCSCC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000048408572 1028050802 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