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COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cnn(CC(=O)[O-])c2)c1C ZINC001594024160 957692125 /nfs/dbraw/zinc/69/21/25/957692125.db2.gz MFZLFCUUQPHIMU-VIZOYTHASA-N -1 0 371.397 1.578 20 50 FDGDRM COc1cc(C#N)ccc1OCCCC(=O)NNc1ncccc1C(=O)[O-] ZINC001594048978 957961159 /nfs/dbraw/zinc/96/11/59/957961159.db2.gz AWBDKVSRBBNCAO-UHFFFAOYSA-N -1 0 370.365 1.962 20 50 FDGDRM COc1cc(OC)cc(C(=O)NNC(=O)Nc2ccccc2C(=O)[O-])c1 ZINC001594069036 958167478 /nfs/dbraw/zinc/16/74/78/958167478.db2.gz ZTTYRWKZZALNCM-UHFFFAOYSA-N -1 0 359.338 1.869 20 50 FDGDRM COc1ccc(C(=O)NNC(=O)Nc2cncc(C(=O)[O-])c2)c(OC)c1 ZINC001594078484 958240765 /nfs/dbraw/zinc/24/07/65/958240765.db2.gz BYOHOPIBDHULHI-UHFFFAOYSA-N -1 0 360.326 1.264 20 50 FDGDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)NN=c2cc[nH]c3cccnc32)n1 ZINC001573382591 958671817 /nfs/dbraw/zinc/67/18/17/958671817.db2.gz AOWVDNUMFVVGBC-UHFFFAOYSA-N -1 0 355.358 1.217 20 50 FDGDRM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001588627825 959595481 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COc1ccc(NC(=S)NNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cn1 ZINC001604820728 974056816 /nfs/dbraw/zinc/05/68/16/974056816.db2.gz OUJASEKBTVAZPL-OAHLLOKOSA-N -1 0 350.400 1.219 20 50 FDGDRM O=C([O-])c1ccccc1C=NNC(=O)C1CCN(c2ncccn2)CC1 ZINC000728783170 978294131 /nfs/dbraw/zinc/29/41/31/978294131.db2.gz BPNMHYKNMUICAX-UHFFFAOYSA-N -1 0 353.382 1.542 20 50 FDGDRM CC(C)[C@@H](NC(=O)[O-])C(=O)NNC(=O)c1ccccc1Br ZINC000736375895 978326371 /nfs/dbraw/zinc/32/63/71/978326371.db2.gz RECQFWWDTSHVQS-SNVBAGLBSA-N -1 0 358.192 1.502 20 50 FDGDRM C[C@]12CCC(=O)N1[C@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)CS2 ZINC000736747515 978353864 /nfs/dbraw/zinc/35/38/64/978353864.db2.gz TULFFFJABZITCT-NHYWBVRUSA-N -1 0 366.351 1.652 20 50 FDGDRM CC[NH+](CC)Cc1ccc(C(=O)[N-]NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)o1 ZINC000737088508 978378111 /nfs/dbraw/zinc/37/81/11/978378111.db2.gz OTVRIXJQIRBRPJ-CHWSQXEVSA-N -1 0 365.430 1.773 20 50 FDGDRM CC[NH+](CC)Cc1ccc(C(=O)[N-]NC(=O)[C@@H](NC(=O)[O-])C(C)C)o1 ZINC000737087504 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O=C([O-])NCCCC(=O)NN=Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000834228813 605800200 /nfs/dbraw/zinc/80/02/00/605800200.db2.gz RNLLQLZYXWWPGN-UHFFFAOYSA-N -1 0 373.163 1.855 20 50 FDGDRM O=C([O-])NCCCC(=O)NNC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000834232430 605820859 /nfs/dbraw/zinc/82/08/59/605820859.db2.gz PXWOVKBTWUUXAN-GJZGRUSLSA-N -1 0 362.430 1.776 20 50 FDGDRM O=C([O-])NCCCC(=O)NNC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000834231612 605820989 /nfs/dbraw/zinc/82/09/89/605820989.db2.gz MXITVRKDDRLKDT-KWQFWETISA-N -1 0 372.784 1.713 20 50 FDGDRM O=C([O-])N[C@@H](CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CC1 ZINC000834143873 605854371 /nfs/dbraw/zinc/85/43/71/605854371.db2.gz MKGUYUUGOOWTFS-RUQZAQAOSA-N -1 0 364.446 1.579 20 50 FDGDRM O=C([O-])N(CC(=O)OCCCI)C[C@@H]1CCCO1 ZINC000834007354 605862237 /nfs/dbraw/zinc/86/22/37/605862237.db2.gz LFYUSICKJKOIBU-VIFPVBQESA-N -1 0 371.171 1.514 20 50 FDGDRM O=C([O-])NCCNC(=O)NNC(=O)Cc1csc2ccc(Cl)cc12 ZINC000834243034 605870047 /nfs/dbraw/zinc/87/00/47/605870047.db2.gz FRMIYKRPOOIKCW-UHFFFAOYSA-N -1 0 370.818 1.695 20 50 FDGDRM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)NNC(=O)c1ccccc1Cl ZINC000833830903 605892640 /nfs/dbraw/zinc/89/26/40/605892640.db2.gz LGSBPHJRNCFORK-MNOVXSKESA-N -1 0 368.821 1.079 20 50 FDGDRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NNC(=O)CSc1ccccc1O ZINC000834175205 605908623 /nfs/dbraw/zinc/90/86/23/605908623.db2.gz ZVOLAJLWHOJQLJ-VHSXEESVSA-N -1 0 353.400 1.068 20 50 FDGDRM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCCN1S(=O)(=O)CBr ZINC000834104609 605954115 /nfs/dbraw/zinc/95/41/15/605954115.db2.gz DLCURCYOMYHXGF-ZJUUUORDSA-N -1 0 355.254 1.666 20 50 FDGDRM O=C([O-])NCCCC(=O)NNC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000834231611 605974041 /nfs/dbraw/zinc/97/40/41/605974041.db2.gz QHILDNHNLHHTBZ-UHFFFAOYSA-N -1 0 364.185 1.567 20 50 FDGDRM Cc1nc2ccccc2c(C)c1CC(=O)NNC(=O)CCCNC(=O)[O-] ZINC000833917706 605977747 /nfs/dbraw/zinc/97/77/47/605977747.db2.gz SGQFPRPGZYEZPM-UHFFFAOYSA-N -1 0 358.398 1.589 20 50 FDGDRM O=C([O-])NCCCC(=O)NNC(=O)Cc1coc(-c2cccs2)n1 ZINC000834230983 605979767 /nfs/dbraw/zinc/97/97/67/605979767.db2.gz JVHXFLKBWHRCCM-UHFFFAOYSA-N -1 0 352.372 1.141 20 50 FDGDRM C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NNC(=O)COCc1ccccc1 ZINC000833829347 606053881 /nfs/dbraw/zinc/05/38/81/606053881.db2.gz JGIJMNNWKLFYDW-RDTXWAMCSA-N -1 0 363.414 1.567 20 50 FDGDRM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1 ZINC000833832342 606062658 /nfs/dbraw/zinc/06/26/58/606062658.db2.gz VPEJLRJPJFKNPK-ACJLOTCBSA-N -1 0 373.413 1.241 20 50 FDGDRM C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NNc1ccc(S(C)(=O)=O)cc1 ZINC000833832720 606077976 /nfs/dbraw/zinc/07/79/76/606077976.db2.gz XCLFPASRBVVQCM-XJKSGUPXSA-N -1 0 369.443 1.750 20 50 FDGDRM O=C([O-])c1csc(C=NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826417599 607882341 /nfs/dbraw/zinc/88/23/41/607882341.db2.gz XEYHOVMGGYXYFB-UHFFFAOYSA-N -1 0 372.366 1.156 20 50 FDGDRM Cc1c(C=C(C#N)C(=O)Nc2cc(C#N)ccc2[O-])cc(-c2nn[nH]n2)n1C ZINC000826235885 607997364 /nfs/dbraw/zinc/99/73/64/607997364.db2.gz UBXAUOUKAODNIQ-MLPAPPSSSA-N -1 0 374.364 1.637 20 50 FDGDRM O=C(CSCc1ccc(-c2nn[nH]n2)cc1)NN=c1ncc(F)c[n-]1 ZINC000826420606 608037687 /nfs/dbraw/zinc/03/76/87/608037687.db2.gz UOBMCTNFKREEID-UHFFFAOYSA-N -1 0 360.378 1.172 20 50 FDGDRM O=S(=O)([N-]c1n[nH]cc1-c1nn[nH]n1)c1ccc(CCCl)cc1 ZINC000826492523 608307966 /nfs/dbraw/zinc/30/79/66/608307966.db2.gz PFPQAYZCGDOFKK-UHFFFAOYSA-N -1 0 353.795 1.172 20 50 FDGDRM C=CCOc1cccnc1C(=O)NNc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000823931833 608550121 /nfs/dbraw/zinc/55/01/21/608550121.db2.gz GVLRBCAZKMFKPQ-UHFFFAOYSA-N -1 0 370.373 1.695 20 50 FDGDRM C[C@@H](OCc1ccccc1)C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000824731713 608574345 /nfs/dbraw/zinc/57/43/45/608574345.db2.gz XRKFCZTUUKKDQS-SNVBAGLBSA-N -1 0 373.804 1.964 20 50 FDGDRM CNc1nc(C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)cs1 ZINC000826089907 608578446 /nfs/dbraw/zinc/57/84/46/608578446.db2.gz ABZDCRLJFHAVBS-UHFFFAOYSA-N -1 0 351.783 1.170 20 50 FDGDRM CC(=O)CCC(C)(C)C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000823967016 608579418 /nfs/dbraw/zinc/57/94/18/608579418.db2.gz GZCBRZSUEGXXRW-UHFFFAOYSA-N -1 0 351.798 1.754 20 50 FDGDRM O=C(COCc1ccccc1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826416484 608580203 /nfs/dbraw/zinc/58/02/03/608580203.db2.gz BGYAIABKJJNFBD-UHFFFAOYSA-N -1 0 359.777 1.575 20 50 FDGDRM CC1(C)OCC(C)(C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)CO1 ZINC000824812759 608627419 /nfs/dbraw/zinc/62/74/19/608627419.db2.gz PYZHXKTYUQPSMF-UHFFFAOYSA-N -1 0 367.797 1.147 20 50 FDGDRM Cc1cc(C)c(C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)c(=O)[nH]1 ZINC000826262852 608627813 /nfs/dbraw/zinc/62/78/13/608627813.db2.gz AJYRNMBLGBQIJE-UHFFFAOYSA-N -1 0 360.765 1.389 20 50 FDGDRM Cc1ncc(C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)c(C(C)C)n1 ZINC000826329539 608627937 /nfs/dbraw/zinc/62/79/37/608627937.db2.gz HPJWPPCJCZXRAD-UHFFFAOYSA-N -1 0 373.808 1.894 20 50 FDGDRM O=C(C=Cc1cncc(O)c1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826403439 609501416 /nfs/dbraw/zinc/50/14/16/609501416.db2.gz SCLKRPRQIDUMKQ-OWOJBTEDSA-N -1 0 358.749 1.172 20 50 FDGDRM