smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)Nc1ccccc1Cl ZINC000822796522 946185494 /nfs/dbraw/zinc/18/54/94/946185494.db2.gz SZQDXXRBRQTQKB-VQHVLOKHSA-N -1 1 340.730 2.659 20 50 EFGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)Nc1ccccc1Cl ZINC000822796522 946185501 /nfs/dbraw/zinc/18/55/01/946185501.db2.gz SZQDXXRBRQTQKB-VQHVLOKHSA-N -1 1 340.730 2.659 20 50 EFGDMM O=C([O-])c1cccc(NC(=O)NNc2nccnc2C2CCC2)c1 ZINC001594781421 953631337 /nfs/dbraw/zinc/63/13/37/953631337.db2.gz ODAXJNRKLPUSCL-UHFFFAOYSA-N -1 1 327.344 2.591 20 50 EFGDMM O=C([O-])[C@H](C(=O)NNc1ncc(Cl)cc1Cl)C1CCCC1 ZINC001594835854 954025332 /nfs/dbraw/zinc/02/53/32/954025332.db2.gz MGCIHHXMWODNBV-JTQLQIEISA-N -1 1 332.187 2.723 20 50 EFGDMM CCN(CC)Cc1ccc(C(=O)NN=Cc2cccc(C(=O)[O-])c2)o1 ZINC000814821974 955363066 /nfs/dbraw/zinc/36/30/66/955363066.db2.gz DWEHNUVACTXURP-UHFFFAOYSA-N -1 1 343.383 2.584 20 50 EFGDMM CCN(CC)[C@@H](C(=O)NNc1ccccc1C(=O)[O-])c1ccccc1 ZINC001596253963 983659718 /nfs/dbraw/zinc/65/97/18/983659718.db2.gz UIDSZRXJFHLFKY-QGZVFWFLSA-N -1 1 341.411 2.911 20 50 EFGDMM O=C([O-])Nc1cccc(C(=O)NNC(=O)c2cc3ccccc3o2)c1 ZINC000833291625 601324841 /nfs/dbraw/zinc/32/48/41/601324841.db2.gz NRGOVKGBGLSKSX-UHFFFAOYSA-N -1 1 339.307 2.598 20 50 EFGDMM Cn1c2ccccc2nc1C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822596866 1429003867 /nfs/dbraw/zinc/00/38/67/1429003867.db2.gz XDUCIMPBXONXFU-MDWZMJQESA-N -1 1 345.341 2.957 20 50 EFGDMM CC(CCC1CCCC1)=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735986417 1429289930 /nfs/dbraw/zinc/28/99/30/1429289930.db2.gz RZCXBMVVYPEQTH-UHFFFAOYSA-N -1 1 326.404 2.943 20 50 EFGDMM COc1ccccc1C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821882677 1423788051 /nfs/dbraw/zinc/78/80/51/1423788051.db2.gz HXEBEUKRQKFACY-NTMALXAHSA-N -1 1 337.364 2.727 20 50 EFGDMM CC(C)(C)SCCCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824124651 1424423556 /nfs/dbraw/zinc/42/35/56/1424423556.db2.gz XXKBVFSDVTYDFK-UHFFFAOYSA-N -1 1 334.449 2.622 20 50 EFGDMM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)CCCC(C)(C)C)o1 ZINC000735939781 1424941657 /nfs/dbraw/zinc/94/16/57/1424941657.db2.gz SPWLUXIEFODSBQ-UHFFFAOYSA-N -1 1 335.412 2.638 20 50 EFGDMM Cc1cc(C)cc(C2(C(=O)NNc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826264323 1429767473 /nfs/dbraw/zinc/76/74/73/1429767473.db2.gz KACZXQQHEKXWQD-UHFFFAOYSA-N -1 1 348.410 2.658 20 50 EFGDMM CC1(C)CCC[C@H](CC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824801767 1425748570 /nfs/dbraw/zinc/74/85/70/1425748570.db2.gz IRQPBSLGVXCWFF-GFCCVEGCSA-N -1 1 328.420 2.916 20 50 EFGDMM CC(=NNC(=O)CCCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735447065 1426061174 /nfs/dbraw/zinc/06/11/74/1426061174.db2.gz IAVILBOUYGHFRB-UHFFFAOYSA-N -1 1 348.410 2.730 20 50 EFGDMM N#CC(=Cc1cccnc1Cl)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379153 1426091856 /nfs/dbraw/zinc/09/18/56/1426091856.db2.gz KMIUSDQMUIUMAN-MDWZMJQESA-N -1 1 336.742 2.705 20 50 EFGDMM Cc1cccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)o2)c1C ZINC000822324195 1426277055 /nfs/dbraw/zinc/27/70/55/1426277055.db2.gz XLAWEMNCOMDKJZ-XYOKQWHBSA-N -1 1 334.339 2.622 20 50 EFGDMM CC(C)c1ccc(CC=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824347567 1426377671 /nfs/dbraw/zinc/37/76/71/1426377671.db2.gz DNKLQHQCVUCDKM-UHFFFAOYSA-N -1 1 348.410 2.948 20 50 EFGDMM N#CC(=Cc1cc(F)ccc1F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379033 1426668555 /nfs/dbraw/zinc/66/85/55/1426668555.db2.gz HNSVWODNCKCDLE-NTUHNPAUSA-N -1 1 337.289 2.935 20 50 EFGDMM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1nc2ccccc2[nH]1 ZINC000826379585 1426668851 /nfs/dbraw/zinc/66/88/51/1426668851.db2.gz WGAJZGNXSCIGTL-YRNVUSSQSA-N -1 1 331.314 2.946 20 50 EFGDMM CC[C@H]1CCC[C@@H](C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825192335 1427881066 /nfs/dbraw/zinc/88/10/66/1427881066.db2.gz GLIPKYRZSSYYTI-QWHCGFSZSA-N -1 1 326.404 2.799 20 50 EFGDMM CC1(C)CCC(CC(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824795747 1427947649 /nfs/dbraw/zinc/94/76/49/1427947649.db2.gz CIRMDYZCZHBTOV-UHFFFAOYSA-N -1 1 328.420 2.916 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H](c1ccccc1)C1CC1 ZINC000826447407 1441482942 /nfs/dbraw/zinc/48/29/42/1441482942.db2.gz DLVNVZIMJPLEJU-MRXNPFEDSA-N -1 1 334.383 2.504 20 50 EFGDMM Cc1cc(C)c(C=CC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000826263287 1441795308 /nfs/dbraw/zinc/79/53/08/1441795308.db2.gz UCFYRGLYYKIKJD-FPLPWBNLSA-N -1 1 348.410 2.948 20 50 EFGDMM Cc1ccc(CC(=O)NNc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826286539 1441899981 /nfs/dbraw/zinc/89/99/81/1441899981.db2.gz GTKJUVALRGNUHC-UHFFFAOYSA-N -1 1 342.790 2.514 20 50 EFGDMM N#CC(=Cc1ccc(C#N)s1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379025 1441904622 /nfs/dbraw/zinc/90/46/22/1441904622.db2.gz HLABWHDHLRTYJG-GHXNOFRVSA-N -1 1 332.348 2.590 20 50 EFGDMM O=C(CCc1cc(Cl)cs1)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826407921 1442288654 /nfs/dbraw/zinc/28/86/54/1442288654.db2.gz IGOHBQFXGHGKEB-UHFFFAOYSA-N -1 1 348.819 2.658 20 50 EFGDMM O=C(C=CSc1ccccc1)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826399920 1443068667 /nfs/dbraw/zinc/06/86/67/1443068667.db2.gz JZTSPMSMJATVPU-ZHACJKMWSA-N -1 1 338.396 2.616 20 50 EFGDMM O=C(NN=C[C@H]1CCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000823270031 1443580034 /nfs/dbraw/zinc/58/00/34/1443580034.db2.gz VVUMMWWVCSRRBE-MRXNPFEDSA-N -1 1 346.394 2.702 20 50 EFGDMM CC(C)C1CCC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735748427 1443704405 /nfs/dbraw/zinc/70/44/05/1443704405.db2.gz XWLJYZKQBILGFT-UHFFFAOYSA-N -1 1 326.404 2.799 20 50 EFGDMM C[C@H](C(=O)NNc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC000824040377 1446140468 /nfs/dbraw/zinc/14/04/68/1446140468.db2.gz OSEVOFLEVLLBRP-QMMMGPOBSA-N -1 1 348.819 2.828 20 50 EFGDMM C[C@H](C=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824385114 1446403835 /nfs/dbraw/zinc/40/38/35/1446403835.db2.gz LYXRIWHAKRWMGT-LLVKDONJSA-N -1 1 338.346 2.525 20 50 EFGDMM O=C(CCC1CCCCC1)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826405481 1446696387 /nfs/dbraw/zinc/69/63/87/1446696387.db2.gz HMBHZFJIEFNYDE-UHFFFAOYSA-N -1 1 326.404 2.677 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)Nc1ccc(Cl)cc1 ZINC000822796786 1446838251 /nfs/dbraw/zinc/83/82/51/1446838251.db2.gz YQRUUAFLQIWRBY-VQHVLOKHSA-N -1 1 340.730 2.659 20 50 EFGDMM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)OC1CCCCC1 ZINC000822796704 1446996411 /nfs/dbraw/zinc/99/64/11/1446996411.db2.gz WMCGPFUBVUETMY-POHAHGRESA-N -1 1 329.385 2.711 20 50 EFGDMM Cc1nc(C(C#N)=Cc2cnc3ccc(-c4nnn[n-]4)cn23)sc1C ZINC000737467350 1447131476 /nfs/dbraw/zinc/13/14/76/1447131476.db2.gz BEEFEBAHFTUMSJ-XGICHPGQSA-N -1 1 348.395 2.652 20 50 EFGDMM CN(C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1)C1CCCCC1 ZINC000821569576 1449110522 /nfs/dbraw/zinc/11/05/22/1449110522.db2.gz OOYPZAYDPGLRQX-PKNBQFBNSA-N -1 1 342.428 2.626 20 50 EFGDMM Cn1c2ccccc2nc1C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826355049 1449164794 /nfs/dbraw/zinc/16/47/94/1449164794.db2.gz HZUUOTRDHKQTBZ-XYOKQWHBSA-N -1 1 345.341 2.957 20 50 EFGDMM CC(C)(C)CC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819906654 1449326782 /nfs/dbraw/zinc/32/67/82/1449326782.db2.gz IHEQPATWYVALCV-UHFFFAOYSA-N -1 1 342.325 2.765 20 50 EFGDMM C[C@@H](CC(=O)NNc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000824385721 1449623695 /nfs/dbraw/zinc/62/36/95/1449623695.db2.gz ZUAKVOCEYVNTBH-NSHDSACASA-N -1 1 340.362 2.643 20 50 EFGDMM N#CC(=Cc1cc(C#N)cs1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379114 1449738505 /nfs/dbraw/zinc/73/85/05/1449738505.db2.gz JGIRKUKYURPNKF-AWNIVKPZSA-N -1 1 332.348 2.590 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000826448463 1449785591 /nfs/dbraw/zinc/78/55/91/1449785591.db2.gz WUYPYJUBHVPJCO-LSDHHAIUSA-N -1 1 326.404 2.526 20 50 EFGDMM CC(C)(C(=O)NNc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000824065387 1449802250 /nfs/dbraw/zinc/80/22/50/1449802250.db2.gz ZNKFIIOWQSGDCQ-UHFFFAOYSA-N -1 1 328.420 2.916 20 50 EFGDMM O=C(NN=C[C@H]1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000823269818 1450055985 /nfs/dbraw/zinc/05/59/85/1450055985.db2.gz POGIQUJWZPWCEZ-MRXNPFEDSA-N -1 1 346.394 2.702 20 50 EFGDMM N#CC(=Cc1ccc(C#N)s1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379026 1450246492 /nfs/dbraw/zinc/24/64/92/1450246492.db2.gz HLABWHDHLRTYJG-KPKJPENVSA-N -1 1 332.348 2.590 20 50 EFGDMM Cc1ccc2oc(C(=O)NNc3ccc(-c4nnn[n-]4)cc3)cc2c1 ZINC000826295462 1450315556 /nfs/dbraw/zinc/31/55/56/1450315556.db2.gz IKYZGVMJUHIBFY-UHFFFAOYSA-N -1 1 334.339 2.678 20 50 EFGDMM Cc1cccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822324315 1450365836 /nfs/dbraw/zinc/36/58/36/1450365836.db2.gz ZSNGFCHSLZEUFX-ZSOIEALJSA-N -1 1 348.341 2.860 20 50 EFGDMM CCN(CC)Cc1ccc(C(=O)NN=C2CC[C@H](CC(=O)[O-])[C@@H]2C)o1 ZINC001324253743 961029569 /nfs/dbraw/zinc/02/95/69/961029569.db2.gz KXZLFEUGWGVQKR-QWHCGFSZSA-N -1 1 349.431 2.728 20 50 EFGDMM CCN(CC)Cc1ccc(C(=O)NN=Cc2ccccc2C(=O)[O-])o1 ZINC000746494766 978685536 /nfs/dbraw/zinc/68/55/36/978685536.db2.gz SCZPHUFFJDTVCL-UHFFFAOYSA-N -1 1 343.383 2.584 20 50 EFGDMM O=C(CCc1cccc(Cl)c1)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826409301 1428209099 /nfs/dbraw/zinc/20/90/99/1428209099.db2.gz QTVDZQBOFLAJIZ-UHFFFAOYSA-N -1 1 342.790 2.596 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(C#N)c1 ZINC000826379263 1429184911 /nfs/dbraw/zinc/18/49/11/1429184911.db2.gz NMEJNTGUJKSKQU-LZYBPNLTSA-N -1 1 326.319 2.528 20 50 EFGDMM N#CC(=Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379640 1429202203 /nfs/dbraw/zinc/20/22/03/1429202203.db2.gz XSPOGHPHTKOTMA-AUWJEWJLSA-N -1 1 346.306 2.565 20 50 EFGDMM C[C@]1(C(=O)NNc2cccc(-c3nnn[n-]3)c2)CCCc2ccccc21 ZINC000824783755 1429320043 /nfs/dbraw/zinc/32/00/43/1429320043.db2.gz JUHCKNSIEGBPLN-IBGZPJMESA-N -1 1 348.410 2.604 20 50 EFGDMM CCc1sc(C(=O)NNc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825783148 1429493582 /nfs/dbraw/zinc/49/35/82/1429493582.db2.gz ZXPHEPAZXGSHDP-UHFFFAOYSA-N -1 1 328.401 2.556 20 50 EFGDMM N#CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379681 1429750612 /nfs/dbraw/zinc/75/06/12/1429750612.db2.gz YOPNZPPKFDEPLC-ZSOIEALJSA-N -1 1 346.306 2.565 20 50 EFGDMM C=C[C@H](CC(=O)NNc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823883229 1424773986 /nfs/dbraw/zinc/77/39/86/1424773986.db2.gz LQGCSFGYFPNACZ-CYBMUJFWSA-N -1 1 334.383 2.670 20 50 EFGDMM Cc1ccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000826290507 1425172884 /nfs/dbraw/zinc/17/28/84/1425172884.db2.gz ORFLUZFUHKBEEP-JYRVWZFOSA-N -1 1 348.341 2.860 20 50 EFGDMM CC(C)(C)c1ccc(NNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000824135356 1425312067 /nfs/dbraw/zinc/31/20/67/1425312067.db2.gz DMCFSDOKKJLHOP-UHFFFAOYSA-N -1 1 342.428 2.983 20 50 EFGDMM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c(C)n1C(C)C ZINC000826259875 1425614851 /nfs/dbraw/zinc/61/48/51/1425614851.db2.gz KMPBSINCXHMNBQ-UHFFFAOYSA-N -1 1 339.403 2.623 20 50 EFGDMM CC[C@@H]1CCC[C@H](C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825192333 1425853328 /nfs/dbraw/zinc/85/33/28/1425853328.db2.gz GLIPKYRZSSYYTI-OLZOCXBDSA-N -1 1 326.404 2.799 20 50 EFGDMM CCc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825711483 1425942387 /nfs/dbraw/zinc/94/23/87/1425942387.db2.gz CJIMVXANFGGDDX-UHFFFAOYSA-N -1 1 337.387 2.886 20 50 EFGDMM N#CC(=Cc1cccc(F)c1F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379274 1426278904 /nfs/dbraw/zinc/27/89/04/1426278904.db2.gz NRAVWBBOUHWMQE-NTUHNPAUSA-N -1 1 337.289 2.935 20 50 EFGDMM CC[C@@H]1CCC[C@@H](C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825195755 1426538737 /nfs/dbraw/zinc/53/87/37/1426538737.db2.gz YRCGHDFXPPLIMM-CHWSQXEVSA-N -1 1 326.404 2.799 20 50 EFGDMM O=C(CCc1cccc(Cl)c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409455 1426924407 /nfs/dbraw/zinc/92/44/07/1426924407.db2.gz ZSVRMGTXCDYTGE-UHFFFAOYSA-N -1 1 342.790 2.596 20 50 EFGDMM Cc1ccc(CCC(=O)NNc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000826287345 1426979213 /nfs/dbraw/zinc/97/92/13/1426979213.db2.gz LEIGFCKMFDZZGO-UHFFFAOYSA-N -1 1 336.399 2.559 20 50 EFGDMM O=C(NNc1c(Cl)cccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000823280612 1427012021 /nfs/dbraw/zinc/01/20/21/1427012021.db2.gz DHLHEVWEFLHFFB-UHFFFAOYSA-N -1 1 349.181 2.930 20 50 EFGDMM Cc1ccccc1C(=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737414945 1427110846 /nfs/dbraw/zinc/11/08/46/1427110846.db2.gz IKVAORSKVDGDHR-UHFFFAOYSA-N -1 1 346.394 2.719 20 50 EFGDMM O=C(CCC=Cc1ccccc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826405804 1428203158 /nfs/dbraw/zinc/20/31/58/1428203158.db2.gz UNZNORWVKMDYIF-WTKPLQERSA-N -1 1 334.383 2.803 20 50 EFGDMM C[C@@H](CC(=O)NNc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000824384481 1430116439 /nfs/dbraw/zinc/11/64/39/1430116439.db2.gz CJHWBRSDIYDWMJ-NSHDSACASA-N -1 1 340.362 2.643 20 50 EFGDMM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)Nc1ccccc1F ZINC000822796802 1430153805 /nfs/dbraw/zinc/15/38/05/1430153805.db2.gz ZEPWIARJRPNSOB-UITAMQMPSA-N -1 1 340.343 2.613 20 50 EFGDMM Cc1ccc(CCCC(=O)NNc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826287540 1441446437 /nfs/dbraw/zinc/44/64/37/1441446437.db2.gz STGUZLYUYKWOSC-UHFFFAOYSA-N -1 1 342.428 2.703 20 50 EFGDMM O=C(NN=Cc1ccccc1C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823273124 1441824018 /nfs/dbraw/zinc/82/40/18/1441824018.db2.gz FFPPQUMYXOLLHK-UHFFFAOYSA-N -1 1 332.367 2.508 20 50 EFGDMM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1cccc(C#N)c1 ZINC000826379521 1441830816 /nfs/dbraw/zinc/83/08/16/1441830816.db2.gz UJKUZZUQPRCRJX-LFYBBSHMSA-N -1 1 332.348 2.590 20 50 EFGDMM Cc1[nH]c2c(cccc2C(=O)NNc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000826232919 1441869281 /nfs/dbraw/zinc/86/92/81/1441869281.db2.gz NCERQQNLXWBWRQ-UHFFFAOYSA-N -1 1 347.382 2.722 20 50 EFGDMM CCCC[C@@H]1CCC[C@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000736440540 1442208019 /nfs/dbraw/zinc/20/80/19/1442208019.db2.gz DANQNIMOLWJTMQ-IUODEOHRSA-N -1 1 343.435 2.852 20 50 EFGDMM CC[C@H]1C[C@H](C)CCC1=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825180870 1442301163 /nfs/dbraw/zinc/30/11/63/1442301163.db2.gz BBRKWUXVAZHRAZ-NEPJUHHUSA-N -1 1 326.404 2.799 20 50 EFGDMM CC1(C)CCC[C@@H](C(=O)NNc2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC000824803520 1443066149 /nfs/dbraw/zinc/06/61/49/1443066149.db2.gz VRKLFMAMPWZJTQ-SECBINFHSA-N -1 1 349.826 2.575 20 50 EFGDMM C[C@H](C=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000824385056 1443172460 /nfs/dbraw/zinc/17/24/60/1443172460.db2.gz KOMAFGPJMMXFOW-LLVKDONJSA-N -1 1 338.346 2.525 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)c1ccc(Cl)s1 ZINC000826378886 1443290310 /nfs/dbraw/zinc/29/03/10/1443290310.db2.gz CSXLMQGKJMDFLX-ALCCZGGFSA-N -1 1 331.744 2.964 20 50 EFGDMM C[C@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000824385508 1443373550 /nfs/dbraw/zinc/37/35/50/1443373550.db2.gz VVVPLSURRZPGSI-GFCCVEGCSA-N -1 1 328.420 2.916 20 50 EFGDMM Cc1cc[nH]c2nc(C(C#N)=Cc3ccc(-c4nnn[n-]4)cc3)nc1-2 ZINC000737441951 1443624785 /nfs/dbraw/zinc/62/47/85/1443624785.db2.gz CYMBJPSDTVLRMM-JYRVWZFOSA-N -1 1 328.339 2.511 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)cc(Cl)c1 ZINC000826448862 1443668557 /nfs/dbraw/zinc/66/85/57/1443668557.db2.gz PGYMOXFMGPSBCZ-UHFFFAOYSA-N -1 1 349.181 2.930 20 50 EFGDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNc1cccc(Cl)c1 ZINC000826249831 1446285081 /nfs/dbraw/zinc/28/50/81/1446285081.db2.gz XDJLBJOGFCCOMN-UHFFFAOYSA-N -1 1 328.763 2.585 20 50 EFGDMM C[C@H](CC=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824402077 1446340638 /nfs/dbraw/zinc/34/06/38/1446340638.db2.gz UAMNNFFRILRLSW-CYBMUJFWSA-N -1 1 334.383 2.776 20 50 EFGDMM Cc1nc(C(C)C)sc1C(=O)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826323747 1446379630 /nfs/dbraw/zinc/37/96/30/1446379630.db2.gz PUNJYHSEPDPFGM-UHFFFAOYSA-N -1 1 343.416 2.512 20 50 EFGDMM COCc1cccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826164898 1446712072 /nfs/dbraw/zinc/71/20/72/1446712072.db2.gz WGKGJMUJLUOXJK-MFOYZWKCSA-N -1 1 345.362 2.803 20 50 EFGDMM CC(=Cc1ccc(C)cc1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000823943113 1446842035 /nfs/dbraw/zinc/84/20/35/1446842035.db2.gz NNWUXEMQKSNCQE-RAXLEYEMSA-N -1 1 334.383 2.722 20 50 EFGDMM COc1ccc(C=C(C#N)C(=O)c2ccoc2C)cc1-c1nnn[n-]1 ZINC000737075023 1449816339 /nfs/dbraw/zinc/81/63/39/1449816339.db2.gz ILLXJJGTXKRYHW-GHXNOFRVSA-N -1 1 335.323 2.567 20 50 EFGDMM O=C(CCc1cc(Cl)cs1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826408067 1449984767 /nfs/dbraw/zinc/98/47/67/1449984767.db2.gz OIWBCIZXSVZDET-UHFFFAOYSA-N -1 1 348.819 2.658 20 50 EFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H](C)CC2CCCC2)o1 ZINC000735986992 944731806 /nfs/dbraw/zinc/73/18/06/944731806.db2.gz VPZODIWQGGIPAO-JTQLQIEISA-N -1 1 347.423 2.638 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)c1c[nH]c2ccccc21 ZINC000822796245 946183257 /nfs/dbraw/zinc/18/32/57/946183257.db2.gz NKDBEVDLCGIXBA-YFHOEESVSA-N -1 1 330.307 2.731 20 50 EFGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)c1c[nH]c2ccccc21 ZINC000822796245 946183266 /nfs/dbraw/zinc/18/32/66/946183266.db2.gz NKDBEVDLCGIXBA-YFHOEESVSA-N -1 1 330.307 2.731 20 50 EFGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)Nc1ccc(F)cc1 ZINC000822796454 946185723 /nfs/dbraw/zinc/18/57/23/946185723.db2.gz RMSXUZBFHDQLJE-VQHVLOKHSA-N -1 1 340.343 2.613 20 50 EFGDMM O=C([O-])C1(C(=O)NNC(=O)c2cc3ccccc3o2)CCCCCC1 ZINC001594783026 953652293 /nfs/dbraw/zinc/65/22/93/953652293.db2.gz RSKGZPMUAQFGQZ-UHFFFAOYSA-N -1 1 344.367 2.619 20 50 EFGDMM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NNc1ncc(Cl)cc1Cl ZINC001573655844 959669851 /nfs/dbraw/zinc/66/98/51/959669851.db2.gz JHPJWOIXWHAPMN-UHFFFAOYSA-N -1 1 346.214 2.969 20 50 EFGDMM O=C([O-])Nc1ccc(C(=O)NNC(=O)c2cc3ccccc3o2)cc1 ZINC000832839033 603498280 /nfs/dbraw/zinc/49/82/80/603498280.db2.gz PGLZUAPFKBYKQB-UHFFFAOYSA-N -1 1 339.307 2.598 20 50 EFGDMM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000735449464 1427362754 /nfs/dbraw/zinc/36/27/54/1427362754.db2.gz YXHKHPIWHCMUOF-UHFFFAOYSA-N -1 1 340.774 2.674 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Cl)cc1F ZINC000826448304 1428845922 /nfs/dbraw/zinc/84/59/22/1428845922.db2.gz QCJWCYQOSMOEOL-UHFFFAOYSA-N -1 1 347.741 2.808 20 50 EFGDMM C[C@@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824385635 1429207493 /nfs/dbraw/zinc/20/74/93/1429207493.db2.gz YANQDBWBWSHSIG-NSHDSACASA-N -1 1 340.362 2.643 20 50 EFGDMM CCC[C@H](C(=O)NNc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825225012 1429615064 /nfs/dbraw/zinc/61/50/64/1429615064.db2.gz JKADMWRDBROHKE-INIZCTEOSA-N -1 1 336.399 2.894 20 50 EFGDMM O=C(NNc1ccc(C(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826447843 1423223239 /nfs/dbraw/zinc/22/32/39/1423223239.db2.gz YOFYHTASONAJGH-UHFFFAOYSA-N -1 1 348.288 2.642 20 50 EFGDMM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc(C)c1O ZINC000826266663 1423595335 /nfs/dbraw/zinc/59/53/35/1423595335.db2.gz XCJFNKVTZDVFBO-LZYBPNLTSA-N -1 1 345.362 2.979 20 50 EFGDMM O=C(C=Cc1ccccc1Cl)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826402292 1424078197 /nfs/dbraw/zinc/07/81/97/1424078197.db2.gz QILIBILTXYYBGA-JXMROGBWSA-N -1 1 340.774 2.677 20 50 EFGDMM Cc1cc2cc(NC(=O)NNc3cccc(-c4nnn[n-]4)c3)ccc2[nH]1 ZINC000826272966 1424305696 /nfs/dbraw/zinc/30/56/96/1424305696.db2.gz JFSGBYAPAZBXAD-UHFFFAOYSA-N -1 1 348.370 2.805 20 50 EFGDMM CCC(Cc1cccs1)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736350621 1424563736 /nfs/dbraw/zinc/56/37/36/1424563736.db2.gz LWYDWCIKXMYLDK-UHFFFAOYSA-N -1 1 340.412 2.667 20 50 EFGDMM C[C@@H](CCC(=O)NNc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824400654 1424605058 /nfs/dbraw/zinc/60/50/58/1424605058.db2.gz JSADAPRQMISVJJ-ZDUSSCGKSA-N -1 1 336.399 2.894 20 50 EFGDMM CC1(C)CCC(CC(=O)NNc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824796174 1425070129 /nfs/dbraw/zinc/07/01/29/1425070129.db2.gz MRWZSHAWHMVWKR-UHFFFAOYSA-N -1 1 328.420 2.916 20 50 EFGDMM N#CC(=Cc1cnc2ccc(-c3nnn[n-]3)cn12)C(=O)C1CCCCC1 ZINC000822795421 1425186012 /nfs/dbraw/zinc/18/60/12/1425186012.db2.gz AFWFHTVGFBCDOI-RIYZIHGNSA-N -1 1 347.382 2.571 20 50 EFGDMM CC(=Cc1ccc(F)cc1)C(=O)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000823942336 1425955726 /nfs/dbraw/zinc/95/57/26/1425955726.db2.gz BHYVYMHVIYFDCG-ZHACJKMWSA-N -1 1 338.346 2.552 20 50 EFGDMM O=C(NNc1ccc(Cl)c(F)c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823281240 1426369975 /nfs/dbraw/zinc/36/99/75/1426369975.db2.gz PSIFBTHZJABKJB-UHFFFAOYSA-N -1 1 347.741 2.808 20 50 EFGDMM CC(C)[C@H]1CC[C@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824343238 1426704290 /nfs/dbraw/zinc/70/42/90/1426704290.db2.gz ZYQPQHLNSVJBFW-JOCQHMNTSA-N -1 1 328.420 2.772 20 50 EFGDMM CC(C)(C)[C@@H](Br)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000913357943 1426860557 /nfs/dbraw/zinc/86/05/57/1426860557.db2.gz QYHXMGANKFRHRF-JTQLQIEISA-N -1 1 338.209 2.615 20 50 EFGDMM CC[C@@H]1C[C@@H](C)CCC1=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825180872 1426933586 /nfs/dbraw/zinc/93/35/86/1426933586.db2.gz BBRKWUXVAZHRAZ-NWDGAFQWSA-N -1 1 326.404 2.799 20 50 EFGDMM O=C(NNc1ccc(Cl)c(F)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823281275 1427012229 /nfs/dbraw/zinc/01/22/29/1427012229.db2.gz QPLJIKHKIPIAJU-UHFFFAOYSA-N -1 1 347.741 2.808 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)ccc1Cl ZINC000826448900 1427231464 /nfs/dbraw/zinc/23/14/64/1427231464.db2.gz RBWAZCJRZVDYIQ-UHFFFAOYSA-N -1 1 349.181 2.930 20 50 EFGDMM CC[C@H]1CCC[C@H](C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825195758 1427242154 /nfs/dbraw/zinc/24/21/54/1427242154.db2.gz YRCGHDFXPPLIMM-STQMWFEESA-N -1 1 326.404 2.799 20 50 EFGDMM CCC(C)(C)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820847736 1427498924 /nfs/dbraw/zinc/49/89/24/1427498924.db2.gz JPRXJFKVAKCPBK-UHFFFAOYSA-N -1 1 342.325 2.765 20 50 EFGDMM O=C(CC=Cc1ccc(F)cc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826404953 1427896275 /nfs/dbraw/zinc/89/62/75/1427896275.db2.gz QZQPBVRSIQTTHP-IWQZZHSRSA-N -1 1 338.346 2.552 20 50 EFGDMM O=C(C=Cc1ccc2[nH]ccc2c1)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826400803 1427986897 /nfs/dbraw/zinc/98/68/97/1427986897.db2.gz IQULUENASRXAFE-WAPJZHGLSA-N -1 1 345.366 2.505 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1C1CCCCC1 ZINC000826448461 1428167000 /nfs/dbraw/zinc/16/70/00/1428167000.db2.gz WUYPYJUBHVPJCO-GJZGRUSLSA-N -1 1 326.404 2.526 20 50 EFGDMM Cc1c(Cl)cccc1NNC(=O)c1sccc1-c1nn[n-]n1 ZINC000826237267 1429878969 /nfs/dbraw/zinc/87/89/69/1429878969.db2.gz UKKIQDALMQJIGP-UHFFFAOYSA-N -1 1 334.792 2.647 20 50 EFGDMM Cn1c2ccccc2nc1C(C#N)=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822596124 1430082337 /nfs/dbraw/zinc/08/23/37/1430082337.db2.gz HFLPCBIFGQMDPI-UXBLZVDNSA-N -1 1 333.380 2.879 20 50 EFGDMM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(C)c(C)c1 ZINC000735448436 1441592712 /nfs/dbraw/zinc/59/27/12/1441592712.db2.gz RBQQESPNSOEQPH-UHFFFAOYSA-N -1 1 334.383 2.638 20 50 EFGDMM O=C(NNc1cccc2c1CCCC2)c1ccc(-c2nnn[n-]2)s1 ZINC000826449241 1441763534 /nfs/dbraw/zinc/76/35/34/1441763534.db2.gz IVWWXPUNGVDOFC-UHFFFAOYSA-N -1 1 340.412 2.564 20 50 EFGDMM Cc1ccc(NC(=O)NNc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000826291074 1441810387 /nfs/dbraw/zinc/81/03/87/1441810387.db2.gz NUEKEVWRYFMXAU-UHFFFAOYSA-N -1 1 343.778 2.977 20 50 EFGDMM Cc1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826290675 1441902510 /nfs/dbraw/zinc/90/25/10/1441902510.db2.gz UYHVKZYNGNMDST-GXDHUFHOSA-N -1 1 330.351 2.721 20 50 EFGDMM CC[C@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825082940 1442051624 /nfs/dbraw/zinc/05/16/24/1442051624.db2.gz WDEANSPHLUSYQJ-CYBMUJFWSA-N -1 1 336.399 2.894 20 50 EFGDMM CC(C)CC1(C(=O)NNc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000824235091 1442115238 /nfs/dbraw/zinc/11/52/38/1442115238.db2.gz BSSOGUZCUULMFB-UHFFFAOYSA-N -1 1 328.420 2.916 20 50 EFGDMM Cc1[nH]c2ccc(C(=O)NNc3ccc(-c4nnn[n-]4)cc3)cc2c1C ZINC000826233194 1442120702 /nfs/dbraw/zinc/12/07/02/1442120702.db2.gz XIUPFETVFKKVOY-UHFFFAOYSA-N -1 1 347.382 2.722 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(Cl)cc1 ZINC000826446307 1442163442 /nfs/dbraw/zinc/16/34/42/1442163442.db2.gz HAMPHTVKQWHEGA-UHFFFAOYSA-N -1 1 329.751 2.669 20 50 EFGDMM COc1ccccc1C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821882553 1442220006 /nfs/dbraw/zinc/22/00/06/1442220006.db2.gz DKPCSJGLCWUKTO-JYRVWZFOSA-N -1 1 349.325 2.804 20 50 EFGDMM O=C(C[C@@H]1CCCc2ccccc21)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826405140 1442316479 /nfs/dbraw/zinc/31/64/79/1442316479.db2.gz WSHGCOXVOHAUMB-AWEZNQCLSA-N -1 1 348.410 2.820 20 50 EFGDMM CC(C)[C@@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824184006 1442406795 /nfs/dbraw/zinc/40/67/95/1442406795.db2.gz BDZDJZMQJFNEEZ-MRXNPFEDSA-N -1 1 336.399 2.750 20 50 EFGDMM Cc1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826290676 1443099744 /nfs/dbraw/zinc/09/97/44/1443099744.db2.gz UYHVKZYNGNMDST-UVTDQMKNSA-N -1 1 330.351 2.721 20 50 EFGDMM CC(C)[C@@H]1CCC[C@@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000735748448 1443140142 /nfs/dbraw/zinc/14/01/42/1443140142.db2.gz IILUGQUBVRMRHK-TZMCWYRMSA-N -1 1 343.435 2.708 20 50 EFGDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000826252582 1443328819 /nfs/dbraw/zinc/32/88/19/1443328819.db2.gz JBPOQSQHFPKBQZ-UHFFFAOYSA-N -1 1 339.311 2.611 20 50 EFGDMM BrC[C@H]1CCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139094994 1443650706 /nfs/dbraw/zinc/65/07/06/1443650706.db2.gz OFZXMRJZURYYOM-CYBMUJFWSA-N -1 1 336.237 2.616 20 50 EFGDMM BrC[C@H]1CCCCN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139094994 1443650710 /nfs/dbraw/zinc/65/07/10/1443650710.db2.gz OFZXMRJZURYYOM-CYBMUJFWSA-N -1 1 336.237 2.616 20 50 EFGDMM BrC[C@H]1CCCCN1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139094994 1443650713 /nfs/dbraw/zinc/65/07/13/1443650713.db2.gz OFZXMRJZURYYOM-CYBMUJFWSA-N -1 1 336.237 2.616 20 50 EFGDMM C[C@H](CC1CCCC1)C(=O)NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824393551 1443856010 /nfs/dbraw/zinc/85/60/10/1443856010.db2.gz STRYRDGNKKWIMO-SECBINFHSA-N -1 1 349.826 2.575 20 50 EFGDMM C[C@H]1CC(C)(C)CCC1=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820649599 1443945177 /nfs/dbraw/zinc/94/51/77/1443945177.db2.gz NCVXUAXXOKJIDT-NSHDSACASA-N -1 1 326.404 2.799 20 50 EFGDMM Cc1cccc(C)c1NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000822294413 1446556826 /nfs/dbraw/zinc/55/68/26/1446556826.db2.gz ZYVINTSVODXOPF-WQLSENKSSA-N -1 1 334.339 2.622 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)c1sccc1C1CC1 ZINC000826447798 1446603859 /nfs/dbraw/zinc/60/38/59/1446603859.db2.gz WNAXGXOOUDLLMV-UHFFFAOYSA-N -1 1 326.385 2.563 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)c1c[nH]c2cc(F)ccc12 ZINC000822795632 1446606398 /nfs/dbraw/zinc/60/63/98/1446606398.db2.gz DOCIISIPDKMUOZ-WEVVVXLNSA-N -1 1 348.297 2.870 20 50 EFGDMM Cc1cc[nH]c2nc(C(C#N)=Cc3cc(-c4nn[n-]n4)cs3)nc1-2 ZINC000822379689 1446666414 /nfs/dbraw/zinc/66/64/14/1446666414.db2.gz SEJGAAKFRMTTBG-RUDMXATFSA-N -1 1 334.368 2.572 20 50 EFGDMM O=C(NNc1cccc2c1CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000826449171 1446768224 /nfs/dbraw/zinc/76/82/24/1446768224.db2.gz FKPSABAMFNAKSU-UHFFFAOYSA-N -1 1 334.383 2.502 20 50 EFGDMM C=C[C@@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823883734 1446910165 /nfs/dbraw/zinc/91/01/65/1446910165.db2.gz ZDPNWDMEJPTYAJ-ZDUSSCGKSA-N -1 1 334.383 2.670 20 50 EFGDMM COc1ccc(C)cc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826190408 1447002850 /nfs/dbraw/zinc/00/28/50/1447002850.db2.gz ZZRWWNJXLZZJKP-MHWRWJLKSA-N -1 1 345.362 2.974 20 50 EFGDMM Cc1cc(C(=O)NNc2ccc(-c3nnn[n-]3)cc2)c(Cl)cc1F ZINC000826259708 1447237603 /nfs/dbraw/zinc/23/76/03/1447237603.db2.gz AYYXZKWLTXVWPO-UHFFFAOYSA-N -1 1 346.753 2.725 20 50 EFGDMM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)c1cccc(C#N)c1 ZINC000826379060 1449230550 /nfs/dbraw/zinc/23/05/50/1449230550.db2.gz ICMXBXCIZODGGX-OQLLNIDSSA-N -1 1 326.319 2.528 20 50 EFGDMM CC[C@@H](CC1CCCC1)C(=O)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000825113764 1449245583 /nfs/dbraw/zinc/24/55/83/1449245583.db2.gz FTTLFRXZJALGOA-ZDUSSCGKSA-N -1 1 328.420 2.916 20 50 EFGDMM CC1(C)CCCC[C@@H]1CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824802666 1449474470 /nfs/dbraw/zinc/47/44/70/1449474470.db2.gz NXNDQEYVRYIQDS-CYBMUJFWSA-N -1 1 328.420 2.916 20 50 EFGDMM CC(=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCCCCC1 ZINC000823948663 1450186139 /nfs/dbraw/zinc/18/61/39/1450186139.db2.gz UDGUYYIRAYFWCD-UHFFFAOYSA-N -1 1 326.404 2.943 20 50 EFGDMM O=C(NNc1cc(Cl)ccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000823281406 1450217769 /nfs/dbraw/zinc/21/77/69/1450217769.db2.gz RVWFTLVUZQULBJ-UHFFFAOYSA-N -1 1 349.181 2.930 20 50 EFGDMM Cc1cccc(C)c1NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000822294414 946049478 /nfs/dbraw/zinc/04/94/78/946049478.db2.gz ZYVINTSVODXOPF-XYOKQWHBSA-N -1 1 334.339 2.622 20 50 EFGDMM Cc1cccc(C)c1NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000822294414 946049490 /nfs/dbraw/zinc/04/94/90/946049490.db2.gz ZYVINTSVODXOPF-XYOKQWHBSA-N -1 1 334.339 2.622 20 50 EFGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)c1ccccc1F ZINC000822796298 946182138 /nfs/dbraw/zinc/18/21/38/946182138.db2.gz PKWRMMQVJANUKK-CLFYSBASSA-N -1 1 325.328 2.857 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)c1cccc(Cl)c1 ZINC000822796730 946188289 /nfs/dbraw/zinc/18/82/89/946188289.db2.gz XBWKJMLWAHZHIO-YFHOEESVSA-N -1 1 325.715 2.903 20 50 EFGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)c1cccc(Cl)c1 ZINC000822796730 946188294 /nfs/dbraw/zinc/18/82/94/946188294.db2.gz XBWKJMLWAHZHIO-YFHOEESVSA-N -1 1 325.715 2.903 20 50 EFGDMM CCN(CC)Cc1ccc(C(=O)NN=C2CC[C@@H](CC(=O)[O-])[C@H]2C)o1 ZINC001324253742 961029081 /nfs/dbraw/zinc/02/90/81/961029081.db2.gz KXZLFEUGWGVQKR-OLZOCXBDSA-N -1 1 349.431 2.728 20 50 EFGDMM C=C(CBr)CN1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001588606269 983696875 /nfs/dbraw/zinc/69/68/75/983696875.db2.gz UMRXORNHIZBSNM-BDAKNGLRSA-N -1 1 330.144 2.523 20 50 EFGDMM Cc1cc(C)c(C(=O)N[N-]C(=O)c2ccc(Cl)cc2F)cc1C=O ZINC000793602470 1279766548 /nfs/dbraw/zinc/76/65/48/1279766548.db2.gz VFLJGONHAJDTNW-UHFFFAOYSA-N -1 1 348.761 2.983 20 50 EFGDMM CCCc1ccccc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825348588 1428429581 /nfs/dbraw/zinc/42/95/81/1428429581.db2.gz QYCUYRGOUFNQDI-UHFFFAOYSA-N -1 1 337.387 2.968 20 50 EFGDMM O=C(CCC1CC1)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822950681 1428718830 /nfs/dbraw/zinc/71/88/30/1428718830.db2.gz XEPDERQSNYSETR-UHFFFAOYSA-N -1 1 340.309 2.519 20 50 EFGDMM O=C(NNc1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826447381 1429307128 /nfs/dbraw/zinc/30/71/28/1429307128.db2.gz CEQSLLMUAAQMES-UHFFFAOYSA-N -1 1 347.741 2.808 20 50 EFGDMM C=CCCCC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819733894 1429326299 /nfs/dbraw/zinc/32/62/99/1429326299.db2.gz DXDFFZZUNQUVNK-UHFFFAOYSA-N -1 1 340.309 2.685 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)c1ccc(Cl)s1 ZINC000826378887 1429619478 /nfs/dbraw/zinc/61/94/78/1429619478.db2.gz CSXLMQGKJMDFLX-FNORWQNLSA-N -1 1 331.744 2.964 20 50 EFGDMM CC1(c2ccccc2)CC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736224284 1424511975 /nfs/dbraw/zinc/51/19/75/1424511975.db2.gz RSQBDFUOLJHLPT-UHFFFAOYSA-N -1 1 346.394 2.704 20 50 EFGDMM CC(C)CCC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820068113 1424975787 /nfs/dbraw/zinc/97/57/87/1424975787.db2.gz OCNDXYQBAQANGL-UHFFFAOYSA-N -1 1 342.325 2.765 20 50 EFGDMM O=C(CCC1CCCCC1)NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822950409 1425785432 /nfs/dbraw/zinc/78/54/32/1425785432.db2.gz NDVZRHBTNAVHGY-UHFFFAOYSA-N -1 1 332.433 2.739 20 50 EFGDMM N#CC(=Cc1ccc2c(c1)CCO2)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379027 1426366103 /nfs/dbraw/zinc/36/61/03/1426366103.db2.gz HLCKFXRHQQTXEC-CXUHLZMHSA-N -1 1 343.346 2.591 20 50 EFGDMM Cc1ccccc1NC(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826307448 1426373828 /nfs/dbraw/zinc/37/38/28/1426373828.db2.gz IOXOCCWUGZHGSB-MDWZMJQESA-N -1 1 348.341 2.860 20 50 EFGDMM CC(=NNC(=O)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948303 1426652333 /nfs/dbraw/zinc/65/23/33/1426652333.db2.gz JVJIDWIWZFTYIB-UHFFFAOYSA-N -1 1 346.803 2.736 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc2c(s1)CCCC2 ZINC000826449005 1426788485 /nfs/dbraw/zinc/78/84/85/1426788485.db2.gz XIVJWSDWQLLNIV-UHFFFAOYSA-N -1 1 340.412 2.564 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)CCCC2 ZINC000826448591 1426865437 /nfs/dbraw/zinc/86/54/37/1426865437.db2.gz BQOROYHHIJOXLJ-UHFFFAOYSA-N -1 1 334.383 2.502 20 50 EFGDMM CCCCCC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821043463 1427404062 /nfs/dbraw/zinc/40/40/62/1427404062.db2.gz QFBAEXRZNNAJRL-UHFFFAOYSA-N -1 1 342.325 2.909 20 50 EFGDMM C=C[C@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823883733 1430100846 /nfs/dbraw/zinc/10/08/46/1430100846.db2.gz ZDPNWDMEJPTYAJ-CYBMUJFWSA-N -1 1 334.383 2.670 20 50 EFGDMM CCc1ccc([C@@H](C)C(=O)NNc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825704632 1441436788 /nfs/dbraw/zinc/43/67/88/1441436788.db2.gz LDPXEOGDFCLYEC-GFCCVEGCSA-N -1 1 336.399 2.676 20 50 EFGDMM Cc1cc(C)c(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)o2)c(C)c1 ZINC000822194332 1441522443 /nfs/dbraw/zinc/52/24/43/1441522443.db2.gz SJOWXHDINNVORN-JYRVWZFOSA-N -1 1 348.366 2.931 20 50 EFGDMM Cn1c2ccccc2nc1C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826355048 1441684525 /nfs/dbraw/zinc/68/45/25/1441684525.db2.gz HZUUOTRDHKQTBZ-WQLSENKSSA-N -1 1 345.341 2.957 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000826448835 1441815283 /nfs/dbraw/zinc/81/52/83/1441815283.db2.gz NYBOSDUGICRZFX-UHFFFAOYSA-N -1 1 348.288 2.642 20 50 EFGDMM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826191009 1442102691 /nfs/dbraw/zinc/10/26/91/1442102691.db2.gz UHZCYBDEPQUNDF-OQLLNIDSSA-N -1 1 331.335 2.665 20 50 EFGDMM CC[C@@H](Cc1ccccc1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825128216 1442236383 /nfs/dbraw/zinc/23/63/83/1442236383.db2.gz RXPOLCHWAXQQLV-AWEZNQCLSA-N -1 1 336.399 2.579 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc2cc(F)ccc2o1 ZINC000826448599 1442470564 /nfs/dbraw/zinc/47/05/64/1442470564.db2.gz CEIWWDBYWUWDRB-UHFFFAOYSA-N -1 1 338.302 2.509 20 50 EFGDMM CC(C)CC1(CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000820062210 1443545682 /nfs/dbraw/zinc/54/56/82/1443545682.db2.gz JSKRDAAUQGPDGC-UHFFFAOYSA-N -1 1 343.435 2.709 20 50 EFGDMM O=C(CC=Cc1cccc(F)c1)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826404575 1443821389 /nfs/dbraw/zinc/82/13/89/1443821389.db2.gz FMTIBDIAVOQMQN-RQOWECAXSA-N -1 1 338.346 2.552 20 50 EFGDMM CCCC(Cc1ccccc1)=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736426645 1443931157 /nfs/dbraw/zinc/93/11/57/1443931157.db2.gz SLSFQBZCKUSLDJ-UHFFFAOYSA-N -1 1 348.410 2.995 20 50 EFGDMM Cc1c2cccc(C)c2oc1C(=O)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826234884 1446267706 /nfs/dbraw/zinc/26/77/06/1446267706.db2.gz SHQYPZCDAFRCIH-UHFFFAOYSA-N -1 1 348.366 2.987 20 50 EFGDMM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(C)cc1C ZINC000735448136 1446293592 /nfs/dbraw/zinc/29/35/92/1446293592.db2.gz QAYOJCMTOBLEDT-UHFFFAOYSA-N -1 1 334.383 2.638 20 50 EFGDMM CC(C)(C)c1ccc(C(=O)NN=Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000819959144 1446694558 /nfs/dbraw/zinc/69/45/58/1446694558.db2.gz ZVZMRWSKYRTGBX-UHFFFAOYSA-N -1 1 338.371 2.521 20 50 EFGDMM CCC[C@@H](C)C(=O)C(C#N)=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000736420344 1446914056 /nfs/dbraw/zinc/91/40/56/1446914056.db2.gz RXYHMTBUCROTFP-KAQJVSAMSA-N -1 1 325.372 2.788 20 50 EFGDMM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826191008 1447040279 /nfs/dbraw/zinc/04/02/79/1447040279.db2.gz UHZCYBDEPQUNDF-DHDCSXOGSA-N -1 1 331.335 2.665 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1c(Cl)cccc1Cl ZINC000826448523 1447125938 /nfs/dbraw/zinc/12/59/38/1447125938.db2.gz YQPUVFCTGSJKRG-UHFFFAOYSA-N -1 1 349.181 2.930 20 50 EFGDMM CCC(Cc1ccc(C)cc1)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736352504 1449046346 /nfs/dbraw/zinc/04/63/46/1449046346.db2.gz LVAYQRSMSGGRKN-UHFFFAOYSA-N -1 1 348.410 2.914 20 50 EFGDMM CC(C)[C@H]1CCCC[C@@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000735749619 1449141683 /nfs/dbraw/zinc/14/16/83/1449141683.db2.gz NTNXQRXKMBMIEN-CABCVRRESA-N -1 1 343.435 2.708 20 50 EFGDMM N#CC(=Cc1ccc(C#N)cc1F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379512 1449244553 /nfs/dbraw/zinc/24/45/53/1449244553.db2.gz UHNVMAAJGHXGDC-CHHVJCJISA-N -1 1 344.309 2.667 20 50 EFGDMM C[C@@]1(C(=O)NNc2cccc(-c3nnn[n-]3)c2)CCc2ccccc2C1 ZINC000824784255 1449249376 /nfs/dbraw/zinc/24/93/76/1449249376.db2.gz QAGCRKSCOYANPP-LJQANCHMSA-N -1 1 348.410 2.505 20 50 EFGDMM O=C(C=CSc1ccccc1)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826399919 1449328349 /nfs/dbraw/zinc/32/83/49/1449328349.db2.gz JZTSPMSMJATVPU-KHPPLWFESA-N -1 1 338.396 2.616 20 50 EFGDMM CN(C)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825880177 1449553046 /nfs/dbraw/zinc/55/30/46/1449553046.db2.gz XEFBMEXSSROTIC-YBEGLDIGSA-N -1 1 344.378 2.723 20 50 EFGDMM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1cccc(C#N)c1 ZINC000826379522 1449747460 /nfs/dbraw/zinc/74/74/60/1449747460.db2.gz UJKUZZUQPRCRJX-XGICHPGQSA-N -1 1 332.348 2.590 20 50 EFGDMM CN(C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)cs1)C1CCCCC1 ZINC000821569369 1449840008 /nfs/dbraw/zinc/84/00/08/1449840008.db2.gz IBXONZBCHWKNRV-XFFZJAGNSA-N -1 1 342.428 2.626 20 50 EFGDMM CC(C)=C[C@@H]1[C@@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)C1(C)C ZINC000824178484 1450257048 /nfs/dbraw/zinc/25/70/48/1450257048.db2.gz UNMIRVKJUNHTQQ-KGLIPLIRSA-N -1 1 326.404 2.548 20 50 EFGDMM COc1cccc(C(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000821854774 1450306899 /nfs/dbraw/zinc/30/68/99/1450306899.db2.gz UZRBMPQEEUMLFM-DHZHZOJOSA-N -1 1 337.364 2.727 20 50 EFGDMM C[C@@H]1CCCC[C@H]1NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000820703751 945530723 /nfs/dbraw/zinc/53/07/23/945530723.db2.gz JZFPONRUFDOLPA-CSCCQICZSA-N -1 1 342.428 2.530 20 50 EFGDMM Cc1ccc(NC(=O)NN=Cc2ccc(-c3nnn[n-]3)o2)c(Cl)c1 ZINC000822248891 946032783 /nfs/dbraw/zinc/03/27/83/946032783.db2.gz SGYCCFVQNFWWHM-UHFFFAOYSA-N -1 1 345.750 2.577 20 50 EFGDMM Cc1ccc(NC(=O)NN=Cc2ccc(-c3nn[n-]n3)o2)c(Cl)c1 ZINC000822248891 946032792 /nfs/dbraw/zinc/03/27/92/946032792.db2.gz SGYCCFVQNFWWHM-UHFFFAOYSA-N -1 1 345.750 2.577 20 50 EFGDMM Cn1c2ccccc2nc1C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822596502 946133033 /nfs/dbraw/zinc/13/30/33/946133033.db2.gz MWNRPQHGMFUOQZ-CSKARUKUSA-N -1 1 333.380 2.879 20 50 EFGDMM O=C([O-])c1cccc(NC(=O)NN=c2ccc(C(F)(F)F)c[nH]2)c1 ZINC001594780200 953623935 /nfs/dbraw/zinc/62/39/35/953623935.db2.gz NLRLYKIJFRCPQF-UHFFFAOYSA-N -1 1 340.261 2.947 20 50 EFGDMM C[C@H](CBr)CN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001592210495 977254833 /nfs/dbraw/zinc/25/48/33/977254833.db2.gz DOYCSGYWABXRAU-SECBINFHSA-N -1 1 330.197 2.913 20 50 EFGDMM CCN(CC)Cc1ccc(C(=O)NN=Cc2ccc(C(=O)[O-])cc2)o1 ZINC000746491004 978685704 /nfs/dbraw/zinc/68/57/04/978685704.db2.gz XFLJYXWCFCCJSA-UHFFFAOYSA-N -1 1 343.383 2.584 20 50 EFGDMM CCN(CC)Cc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2F)o1 ZINC001596276126 983695643 /nfs/dbraw/zinc/69/56/43/983695643.db2.gz ZBEFWXOTTYNOBY-UHFFFAOYSA-N -1 1 349.362 2.716 20 50 EFGDMM O=C([O-])c1ccc(NNC(=O)Cc2[nH]nc3ccccc32)cc1Cl ZINC000833765631 605245017 /nfs/dbraw/zinc/24/50/17/605245017.db2.gz SWMDEQOERCYTJD-UHFFFAOYSA-N -1 1 344.758 2.600 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Cl)c(F)c1 ZINC000826448394 1428753760 /nfs/dbraw/zinc/75/37/60/1428753760.db2.gz UCIXXOSOWQFPSQ-UHFFFAOYSA-N -1 1 347.741 2.808 20 50 EFGDMM C[C@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000824385080 1428933228 /nfs/dbraw/zinc/93/32/28/1428933228.db2.gz LJDQCLVBNDMIDX-LLVKDONJSA-N -1 1 340.362 2.643 20 50 EFGDMM C[C@]1(C(=O)NNc2ccc(-c3nnn[n-]3)cc2)CCc2ccccc2C1 ZINC000824784392 1429160908 /nfs/dbraw/zinc/16/09/08/1429160908.db2.gz SALNQMVDFOWEAP-IBGZPJMESA-N -1 1 348.410 2.505 20 50 EFGDMM CC1(C)CCC[C@@H](CC(=O)NNc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824802332 1429231030 /nfs/dbraw/zinc/23/10/30/1429231030.db2.gz LVRDEIBPHBUVHJ-LBPRGKRZSA-N -1 1 328.420 2.916 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000826448460 1429445818 /nfs/dbraw/zinc/44/58/18/1429445818.db2.gz WUYPYJUBHVPJCO-CABCVRRESA-N -1 1 326.404 2.526 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1Cl ZINC000826448799 1423440350 /nfs/dbraw/zinc/44/03/50/1423440350.db2.gz MJIOMKYKOLXCMR-UHFFFAOYSA-N -1 1 349.181 2.930 20 50 EFGDMM O=C(NN=C1CC[C@H]2CCCC[C@@H]2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738128671 1423601796 /nfs/dbraw/zinc/60/17/96/1423601796.db2.gz GOPCNPLIZLBUJX-CHWSQXEVSA-N -1 1 338.415 2.943 20 50 EFGDMM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1ccccc1F ZINC000826379557 1429682561 /nfs/dbraw/zinc/68/25/61/1429682561.db2.gz VMHLAOSWNBTYQP-YRNVUSSQSA-N -1 1 337.289 2.935 20 50 EFGDMM C=C(C)[C@H]1CC=C(C)C(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000735398602 1424082732 /nfs/dbraw/zinc/08/27/32/1424082732.db2.gz KPRLFSNMTLDRNI-ZDUSSCGKSA-N -1 1 336.399 2.885 20 50 EFGDMM CC(C)=C[C@H]1[C@@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)C1(C)C ZINC000824178483 1424795572 /nfs/dbraw/zinc/79/55/72/1424795572.db2.gz UNMIRVKJUNHTQQ-KBPBESRZSA-N -1 1 326.404 2.548 20 50 EFGDMM Cc1ccc(C)c(NNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000826285417 1424950087 /nfs/dbraw/zinc/95/00/87/1424950087.db2.gz ZFOKNHSWTHODMQ-UHFFFAOYSA-N -1 1 344.325 2.519 20 50 EFGDMM Cc1ccc(C=CCC(=O)NNc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826285483 1425845313 /nfs/dbraw/zinc/84/53/13/1425845313.db2.gz AVNZURMLCSGTKO-IHWYPQMZSA-N -1 1 334.383 2.722 20 50 EFGDMM C[C@@H]1CCCC[C@H]1NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)cs1 ZINC000820703738 1426865108 /nfs/dbraw/zinc/86/51/08/1426865108.db2.gz JXYITTZTPJPBRX-PHLAARDNSA-N -1 1 342.428 2.530 20 50 EFGDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNc1ccccc1Cl ZINC000826249754 1426936786 /nfs/dbraw/zinc/93/67/86/1426936786.db2.gz SOUMMMWWYJTWJQ-UHFFFAOYSA-N -1 1 328.763 2.585 20 50 EFGDMM C[C@@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000824039622 1426978095 /nfs/dbraw/zinc/97/80/95/1426978095.db2.gz GACIQEHISGUVKE-SNVBAGLBSA-N -1 1 342.790 2.767 20 50 EFGDMM C[C@H]1C(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1c1ccccc1 ZINC000820641278 1427127375 /nfs/dbraw/zinc/12/73/75/1427127375.db2.gz BKDAQLNRPDVBQX-MLGOLLRUSA-N -1 1 346.394 2.776 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1ccc(F)cc1 ZINC000826446591 1427146698 /nfs/dbraw/zinc/14/66/98/1427146698.db2.gz QZCDZDZEIZCJKX-UHFFFAOYSA-N -1 1 347.741 2.808 20 50 EFGDMM CC(C)c1csc(NC(=O)NNc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000824352992 1427153487 /nfs/dbraw/zinc/15/34/87/1427153487.db2.gz SOJMUDLXDTWBFE-UHFFFAOYSA-N -1 1 344.404 2.595 20 50 EFGDMM CC1(C)CCC(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820590601 1427786281 /nfs/dbraw/zinc/78/62/81/1427786281.db2.gz XBTALQOLAOLYBZ-UHFFFAOYSA-N -1 1 326.404 2.799 20 50 EFGDMM CC(=Cc1ccc(F)cc1)C(=O)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000823942335 1427912778 /nfs/dbraw/zinc/91/27/78/1427912778.db2.gz BHYVYMHVIYFDCG-KHPPLWFESA-N -1 1 338.346 2.552 20 50 EFGDMM N#CC(=Cc1nc(Cl)cs1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379540 1428033069 /nfs/dbraw/zinc/03/30/69/1428033069.db2.gz UZYSKXYWAYNHIR-YHYXMXQVSA-N -1 1 342.771 2.766 20 50 EFGDMM CC(C)CC(C)(C)CNC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000820051624 1428182886 /nfs/dbraw/zinc/18/28/86/1428182886.db2.gz RPYLVJDMQXEZGH-UHFFFAOYSA-N -1 1 331.424 2.565 20 50 EFGDMM COc1ccccc1C(=O)C(C#N)=Cc1ccccc1-c1nnn[n-]1 ZINC000826217883 1429978535 /nfs/dbraw/zinc/97/85/35/1429978535.db2.gz GTXLSRCDTGMBQD-JLHYYAGUSA-N -1 1 331.335 2.665 20 50 EFGDMM Cc1[nH]c2ccc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)cc2c1C ZINC000826233088 1430195642 /nfs/dbraw/zinc/19/56/42/1430195642.db2.gz UADJCBOGEPXRGR-UHFFFAOYSA-N -1 1 347.382 2.722 20 50 EFGDMM O=C(NNc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826449302 1441553041 /nfs/dbraw/zinc/55/30/41/1441553041.db2.gz LLNVNWZJXHTROB-UHFFFAOYSA-N -1 1 329.751 2.669 20 50 EFGDMM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)Nc1ccccc1F ZINC000822796803 1441554121 /nfs/dbraw/zinc/55/41/21/1441554121.db2.gz ZEPWIARJRPNSOB-WEVVVXLNSA-N -1 1 340.343 2.613 20 50 EFGDMM CC(C)CC(CC(C)C)NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000735761652 1441955009 /nfs/dbraw/zinc/95/50/09/1441955009.db2.gz PBTYDMHYESPSBU-UHFFFAOYSA-N -1 1 345.451 2.954 20 50 EFGDMM C[C@@H]1C[C@@H](C(=O)NNc2ccc(-c3nnn[n-]3)cc2)CC(C)(C)C1 ZINC000824866755 1442067115 /nfs/dbraw/zinc/06/71/15/1442067115.db2.gz NHRLYMTYYHIXGT-DGCLKSJQSA-N -1 1 328.420 2.772 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1ccccc1F ZINC000822795532 1442071876 /nfs/dbraw/zinc/07/18/76/1442071876.db2.gz CCTODAJNMPHFFB-GHXNOFRVSA-N -1 1 337.289 2.935 20 50 EFGDMM N#CC(=Cc1cn[nH]c1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826379262 1442128424 /nfs/dbraw/zinc/12/84/24/1442128424.db2.gz NJHNIVABPSOIPE-WLRTZDKTSA-N -1 1 346.379 2.777 20 50 EFGDMM N#CC(=Cc1cc(C#N)cs1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379115 1442349167 /nfs/dbraw/zinc/34/91/67/1442349167.db2.gz JGIRKUKYURPNKF-MLPAPPSSSA-N -1 1 332.348 2.590 20 50 EFGDMM Cc1c(Cl)cccc1NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826237334 1442451141 /nfs/dbraw/zinc/45/11/41/1442451141.db2.gz WBJGIUXDOHFFFL-UHFFFAOYSA-N -1 1 328.763 2.585 20 50 EFGDMM C[C@@H]1CCCC[C@H]1NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000820703752 1443238035 /nfs/dbraw/zinc/23/80/35/1443238035.db2.gz JZFPONRUFDOLPA-JPZMSJPLSA-N -1 1 342.428 2.530 20 50 EFGDMM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1ccccc1F ZINC000822795617 1443406574 /nfs/dbraw/zinc/40/65/74/1443406574.db2.gz DDLJOOOGTUMWSS-UITAMQMPSA-N -1 1 325.328 2.857 20 50 EFGDMM Cc1cc(C)cc(CCC(=O)NNc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826264319 1443467926 /nfs/dbraw/zinc/46/79/26/1443467926.db2.gz JXTDQMABARHDTF-UHFFFAOYSA-N -1 1 336.399 2.559 20 50 EFGDMM CC(C)(C)c1ccccc1C(=O)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000824135262 1443512998 /nfs/dbraw/zinc/51/29/98/1443512998.db2.gz CXRHCPZUWZTTDE-UHFFFAOYSA-N -1 1 336.399 2.921 20 50 EFGDMM C[C@@H]1CCCC[C@@H]1CC(=O)NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824936621 1443685108 /nfs/dbraw/zinc/68/51/08/1443685108.db2.gz KKTLAVYQTRZKOE-NXEZZACHSA-N -1 1 349.826 2.575 20 50 EFGDMM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)[C@H](C)CC2CCCC2)o1 ZINC000735986993 1443721134 /nfs/dbraw/zinc/72/11/34/1443721134.db2.gz VPZODIWQGGIPAO-SNVBAGLBSA-N -1 1 347.423 2.638 20 50 EFGDMM C[C@H]1CCCC[C@H]1CC(=O)NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824936622 1443901829 /nfs/dbraw/zinc/90/18/29/1443901829.db2.gz KKTLAVYQTRZKOE-UWVGGRQHSA-N -1 1 349.826 2.575 20 50 EFGDMM Cc1cc(C)c(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)o2)c(C)c1 ZINC000822194333 1443904401 /nfs/dbraw/zinc/90/44/01/1443904401.db2.gz SJOWXHDINNVORN-MDWZMJQESA-N -1 1 348.366 2.931 20 50 EFGDMM Cc1ccc(C(=O)NNc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1C ZINC000826282124 1444023237 /nfs/dbraw/zinc/02/32/37/1444023237.db2.gz ZABJVXUSWZNUSK-UHFFFAOYSA-N -1 1 342.790 2.894 20 50 EFGDMM Cc1ccc2oc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)cc2c1 ZINC000826295628 1446080718 /nfs/dbraw/zinc/08/07/18/1446080718.db2.gz QDVNTJVFXGNHBF-UHFFFAOYSA-N -1 1 334.339 2.678 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1ccsc1 ZINC000822795840 1446241341 /nfs/dbraw/zinc/24/13/41/1446241341.db2.gz IETPXHOTKXOHBW-LFYBBSHMSA-N -1 1 325.328 2.857 20 50 EFGDMM CC(C)Cc1ccc(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820109011 1446438816 /nfs/dbraw/zinc/43/88/16/1446438816.db2.gz ZIBMUTHDYICESL-UHFFFAOYSA-N -1 1 348.410 2.829 20 50 EFGDMM CC1(C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCCCCC1 ZINC000824816344 1446632414 /nfs/dbraw/zinc/63/24/14/1446632414.db2.gz COYJSSDOFQHUEF-UHFFFAOYSA-N -1 1 326.404 2.943 20 50 EFGDMM CSc1cccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826231047 1446790239 /nfs/dbraw/zinc/79/02/39/1446790239.db2.gz UYDCHQVQHGVTJD-UHFFFAOYSA-N -1 1 341.400 2.737 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)c1cccc2ccccc21 ZINC000826447034 1446922378 /nfs/dbraw/zinc/92/23/78/1446922378.db2.gz KORCEAOFLNZAFQ-UHFFFAOYSA-N -1 1 330.351 2.777 20 50 EFGDMM CC(C)[C@H]1CCC[C@@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000735748445 1447178217 /nfs/dbraw/zinc/17/82/17/1447178217.db2.gz IILUGQUBVRMRHK-GXTWGEPZSA-N -1 1 343.435 2.708 20 50 EFGDMM Cc1cc2[nH]c(C(=O)NNc3cccc(-c4nnn[n-]4)c3)cc2c(C)c1 ZINC000826263737 1447235052 /nfs/dbraw/zinc/23/50/52/1447235052.db2.gz OLFGVZXPZVLJPP-UHFFFAOYSA-N -1 1 347.382 2.722 20 50 EFGDMM CC(CSC(C)(C)C)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736048323 1449085926 /nfs/dbraw/zinc/08/59/26/1449085926.db2.gz VNXJITXEOFGSOH-UHFFFAOYSA-N -1 1 332.433 2.504 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(F)c(Cl)c1 ZINC000826447932 1449125967 /nfs/dbraw/zinc/12/59/67/1449125967.db2.gz BHSPZYPMHWINFW-UHFFFAOYSA-N -1 1 347.741 2.808 20 50 EFGDMM Cc1cc(C)cc(CCC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826264501 1449154581 /nfs/dbraw/zinc/15/45/81/1449154581.db2.gz QQESTBOAZMBFIT-UHFFFAOYSA-N -1 1 336.399 2.559 20 50 EFGDMM C[C@@H]1C(=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1c1ccccc1 ZINC000820642320 1449211350 /nfs/dbraw/zinc/21/13/50/1449211350.db2.gz HZWXBRBBZGIUNP-BLLLJJGKSA-N -1 1 346.394 2.776 20 50 EFGDMM CC(C)(CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824152612 1449529165 /nfs/dbraw/zinc/52/91/65/1449529165.db2.gz KQOHNHXEMASKNP-UHFFFAOYSA-N -1 1 336.399 2.678 20 50 EFGDMM CC1(C)CCC[C@@H](CC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824801768 1449898430 /nfs/dbraw/zinc/89/84/30/1449898430.db2.gz IRQPBSLGVXCWFF-LBPRGKRZSA-N -1 1 328.420 2.916 20 50 EFGDMM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000735447133 1449911384 /nfs/dbraw/zinc/91/13/84/1449911384.db2.gz JIWBCODEPIWSEG-UHFFFAOYSA-N -1 1 346.803 2.736 20 50 EFGDMM Cc1ccc(C=CCC(=O)NNc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826285484 1449936491 /nfs/dbraw/zinc/93/64/91/1449936491.db2.gz AVNZURMLCSGTKO-NSCUHMNNSA-N -1 1 334.383 2.722 20 50 EFGDMM Cc1cc(C)c(NNC(=O)c2ccc(-c3nnn[n-]3)cc2C)c(C)c1 ZINC000826263488 1450133502 /nfs/dbraw/zinc/13/35/02/1450133502.db2.gz DGKZYJMZYCDGRN-UHFFFAOYSA-N -1 1 336.399 2.857 20 50 EFGDMM CCc1cccc(C)c1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825718073 1450316587 /nfs/dbraw/zinc/31/65/87/1450316587.db2.gz UYYAOYXFKPTHLW-UHFFFAOYSA-N -1 1 337.387 2.886 20 50 EFGDMM COc1ccc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000737077448 1450423440 /nfs/dbraw/zinc/42/34/40/1450423440.db2.gz UIMFEBVXGIOFEF-JYRVWZFOSA-N -1 1 348.322 2.848 20 50 EFGDMM CN(C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1)C1CCCCC1 ZINC000821569575 945718479 /nfs/dbraw/zinc/71/84/79/945718479.db2.gz OOYPZAYDPGLRQX-LUAWRHEFSA-N -1 1 342.428 2.626 20 50 EFGDMM Cc1cc(C)c(NNC(=O)c2ccc(-c3nnn[n-]3)s2)c(C)c1 ZINC000822193965 945978339 /nfs/dbraw/zinc/97/83/39/945978339.db2.gz BPLQHDDDZGYAMN-UHFFFAOYSA-N -1 1 328.401 2.610 20 50 EFGDMM Cc1cc(C)c(NNC(=O)c2ccc(-c3nn[n-]n3)s2)c(C)c1 ZINC000822193965 945978348 /nfs/dbraw/zinc/97/83/48/945978348.db2.gz BPLQHDDDZGYAMN-UHFFFAOYSA-N -1 1 328.401 2.610 20 50 EFGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)s1)c1ccc2ccccc2c1 ZINC000823273764 946388446 /nfs/dbraw/zinc/38/84/46/946388446.db2.gz XCDSORUCEZVDCP-UHFFFAOYSA-N -1 1 348.391 2.845 20 50 EFGDMM CCN(CC)Cc1ccc(C(=O)NN=C2CC[C@H](CC(=O)[O-])[C@H]2C)o1 ZINC001324253741 961029658 /nfs/dbraw/zinc/02/96/58/961029658.db2.gz KXZLFEUGWGVQKR-CHWSQXEVSA-N -1 1 349.431 2.728 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cc(F)ccc1Cl ZINC000826447949 1428209045 /nfs/dbraw/zinc/20/90/45/1428209045.db2.gz BWOYYARNAKUFOU-UHFFFAOYSA-N -1 1 347.741 2.808 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)c1ccc2ccccc2c1 ZINC000826446886 1429214268 /nfs/dbraw/zinc/21/42/68/1429214268.db2.gz CNNAEIXCUUWQBP-UHFFFAOYSA-N -1 1 330.351 2.777 20 50 EFGDMM CC(=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1coc2ccccc12 ZINC000823948019 1429478304 /nfs/dbraw/zinc/47/83/04/1429478304.db2.gz BSBXNNRGXUTVOU-UHFFFAOYSA-N -1 1 346.350 2.767 20 50 EFGDMM CCC(=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1F ZINC000825028145 1423364216 /nfs/dbraw/zinc/36/42/16/1423364216.db2.gz FHUGCZBPJWABKF-UHFFFAOYSA-N -1 1 338.346 2.550 20 50 EFGDMM Cc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c(Cl)c1C ZINC000826281628 1423538035 /nfs/dbraw/zinc/53/80/35/1423538035.db2.gz CHJWNUBTUUMAPI-UHFFFAOYSA-N -1 1 342.790 2.894 20 50 EFGDMM Cc1cc[nH]c2nc(C(C#N)=Cc3cccc(-c4nnn[n-]4)c3)nc1-2 ZINC000737446199 1423907974 /nfs/dbraw/zinc/90/79/74/1423907974.db2.gz UMGXRUZLEAEFIT-JYRVWZFOSA-N -1 1 328.339 2.511 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)C1(c2ccccc2)CCCC1 ZINC000826446556 1424147464 /nfs/dbraw/zinc/14/74/64/1424147464.db2.gz QFXNZPAEKORBGR-UHFFFAOYSA-N -1 1 348.410 2.822 20 50 EFGDMM Cc1cc[nH]c2nc(C(C#N)=Cc3ccc(F)c(-c4nnn[n-]4)c3)nc1-2 ZINC000826315001 1429751257 /nfs/dbraw/zinc/75/12/57/1429751257.db2.gz VPRGGVDIWIASKK-WDZFZDKYSA-N -1 1 346.329 2.650 20 50 EFGDMM C[C@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000824385202 1425377913 /nfs/dbraw/zinc/37/79/13/1425377913.db2.gz OBYJJSPMYNFKNG-LLVKDONJSA-N -1 1 340.362 2.643 20 50 EFGDMM CC(=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(C)c1C ZINC000735447572 1425611802 /nfs/dbraw/zinc/61/18/02/1425611802.db2.gz LGMWYRDRUUWWIT-UHFFFAOYSA-N -1 1 334.383 2.638 20 50 EFGDMM CCCc1cc(C(=O)NNc2ccc(-c3nnn[n-]3)cc2)sc1C ZINC000825348453 1425624955 /nfs/dbraw/zinc/62/49/55/1425624955.db2.gz LIQDOEZFRWUHMN-UHFFFAOYSA-N -1 1 342.428 2.946 20 50 EFGDMM N#CC(=Cc1ccc(Cl)nc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378828 1425997685 /nfs/dbraw/zinc/99/76/85/1425997685.db2.gz BHMKGUWQFSDOMW-MLPAPPSSSA-N -1 1 336.742 2.705 20 50 EFGDMM CC(=NNC(=O)c1cc2ccccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000819772577 1426071891 /nfs/dbraw/zinc/07/18/91/1426071891.db2.gz GRARSIAIERCGLI-UHFFFAOYSA-N -1 1 346.350 2.767 20 50 EFGDMM CCCCCCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)cs1 ZINC000821055564 1426182345 /nfs/dbraw/zinc/18/23/45/1426182345.db2.gz DCUOHOZYSBCPLL-XFFZJAGNSA-N -1 1 330.417 2.532 20 50 EFGDMM CC[C@H]1C[C@@H](C)CCC1=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825180874 1426734047 /nfs/dbraw/zinc/73/40/47/1426734047.db2.gz BBRKWUXVAZHRAZ-RYUDHWBXSA-N -1 1 326.404 2.799 20 50 EFGDMM Cc1cc[nH]c2nc(C(C#N)=Cc3ccc(-c4nnn[n-]4)cc3)nc1-2 ZINC000737441953 1426808438 /nfs/dbraw/zinc/80/84/38/1426808438.db2.gz CYMBJPSDTVLRMM-MDWZMJQESA-N -1 1 328.339 2.511 20 50 EFGDMM Cn1c2ccccc2nc1C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822596865 1426923438 /nfs/dbraw/zinc/92/34/38/1426923438.db2.gz XDUCIMPBXONXFU-JYRVWZFOSA-N -1 1 345.341 2.957 20 50 EFGDMM CN(C)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825880176 1427848023 /nfs/dbraw/zinc/84/80/23/1427848023.db2.gz XEFBMEXSSROTIC-MHWRWJLKSA-N -1 1 344.378 2.723 20 50 EFGDMM CC[C@H]1C[C@H](C)CCC1=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825182972 1427986846 /nfs/dbraw/zinc/98/68/46/1427986846.db2.gz MUAMLXLBAABZGM-NEPJUHHUSA-N -1 1 326.404 2.799 20 50 EFGDMM CC(C)Cc1ccc(C(=O)NNc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824280635 1430231568 /nfs/dbraw/zinc/23/15/68/1430231568.db2.gz RPRFQESMEIOHKD-UHFFFAOYSA-N -1 1 336.399 2.822 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1 ZINC000826448934 1442121020 /nfs/dbraw/zinc/12/10/20/1442121020.db2.gz TTXSRNUZTYIZIL-UHFFFAOYSA-N -1 1 348.288 2.642 20 50 EFGDMM O=C(Cc1ccc2ccccc2c1)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826422545 1442484269 /nfs/dbraw/zinc/48/42/69/1442484269.db2.gz CSMJUBQXSBWXAL-UHFFFAOYSA-N -1 1 344.378 2.706 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)Nc1ccc(Cl)cc1 ZINC000822796785 1443568406 /nfs/dbraw/zinc/56/84/06/1443568406.db2.gz YQRUUAFLQIWRBY-CLFYSBASSA-N -1 1 340.730 2.659 20 50 EFGDMM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)C=CC2CCCCC2)o1 ZINC000735939537 1443575860 /nfs/dbraw/zinc/57/58/60/1443575860.db2.gz QZPLQWIQOQWNEM-HJWRWDBZSA-N -1 1 345.407 2.558 20 50 EFGDMM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cc(C)ccc1C ZINC000735448139 1443714814 /nfs/dbraw/zinc/71/48/14/1443714814.db2.gz QHARPBGDJPCANR-UHFFFAOYSA-N -1 1 334.383 2.638 20 50 EFGDMM CCC(Cc1cccs1)=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736353290 1443937793 /nfs/dbraw/zinc/93/77/93/1443937793.db2.gz WJDMYTDTHQSGHG-UHFFFAOYSA-N -1 1 340.412 2.667 20 50 EFGDMM Cc1cc(C)c(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000737246569 1446535383 /nfs/dbraw/zinc/53/53/83/1446535383.db2.gz LMTPSAFLMMRKMQ-UHFFFAOYSA-N -1 1 334.383 2.556 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)Nc1ccccc1Cl ZINC000822796514 1446599003 /nfs/dbraw/zinc/59/90/03/1446599003.db2.gz SZQDXXRBRQTQKB-CLFYSBASSA-N -1 1 340.730 2.659 20 50 EFGDMM CC(=NNC(=O)Nc1ccccc1C)c1ccc(-c2nnn[n-]2)s1 ZINC000823948749 1446602492 /nfs/dbraw/zinc/60/24/92/1446602492.db2.gz WDDFNQHIBNGGIP-UHFFFAOYSA-N -1 1 341.400 2.782 20 50 EFGDMM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1cccc(C#N)c1 ZINC000826379487 1446779222 /nfs/dbraw/zinc/77/92/22/1446779222.db2.gz SRLOBHDUUAQLBJ-NSIKDUERSA-N -1 1 344.309 2.667 20 50 EFGDMM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CCCCCC1 ZINC000823953852 1446814666 /nfs/dbraw/zinc/81/46/66/1446814666.db2.gz SJPPKLXGQHKTDE-UHFFFAOYSA-N -1 1 326.404 2.943 20 50 EFGDMM CC(=Cc1ccc(F)cc1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000823943661 1449105266 /nfs/dbraw/zinc/10/52/66/1449105266.db2.gz RCHKKFUJXOOOKD-PKNBQFBNSA-N -1 1 338.346 2.552 20 50 EFGDMM N#CC(=Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(C#N)c1 ZINC000826379144 1449146329 /nfs/dbraw/zinc/14/63/29/1449146329.db2.gz KAYCIAAYZBKGNC-PXNMLYILSA-N -1 1 326.319 2.528 20 50 EFGDMM Cc1cc(Cl)ccc1C(=O)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826267562 1449581313 /nfs/dbraw/zinc/58/13/13/1449581313.db2.gz KWDABHYGXKCDCA-UHFFFAOYSA-N -1 1 328.763 2.585 20 50 EFGDMM O=C(NNc1cccc2cnccc21)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738137046 1449833875 /nfs/dbraw/zinc/83/38/75/1449833875.db2.gz MBKBEFWLIMHCBG-UHFFFAOYSA-N -1 1 346.354 2.564 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1c[nH]cc1-c1ccccc1 ZINC000826448326 1449904235 /nfs/dbraw/zinc/90/42/35/1449904235.db2.gz QUHFLUKPYZZJIZ-UHFFFAOYSA-N -1 1 345.366 2.619 20 50 EFGDMM Cc1ccccc1C(=O)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000822345602 1449950880 /nfs/dbraw/zinc/95/08/80/1449950880.db2.gz LVLQFQDMRIWHNM-UHFFFAOYSA-N -1 1 346.394 2.646 20 50 EFGDMM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccccc1F ZINC000826379324 1450019863 /nfs/dbraw/zinc/01/98/63/1450019863.db2.gz OTKJNTKTPRPYJI-FMIVXFBMSA-N -1 1 334.314 2.551 20 50 EFGDMM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(F)cc1 ZINC000826379537 1450243290 /nfs/dbraw/zinc/24/32/90/1450243290.db2.gz UTVGLFXBGNTSLH-FMIVXFBMSA-N -1 1 334.314 2.551 20 50 EFGDMM Cc1ccnc2[nH]c(C(C#N)=Cc3ccc(-c4nn[n-]n4)s3)nc21 ZINC000822378982 946077650 /nfs/dbraw/zinc/07/76/50/946077650.db2.gz ILNQZJACYRENMX-RMKNXTFCSA-N -1 1 334.368 2.572 20 50 EFGDMM C[C@@H](CBr)CN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001592210496 977254746 /nfs/dbraw/zinc/25/47/46/977254746.db2.gz DOYCSGYWABXRAU-VIFPVBQESA-N -1 1 330.197 2.913 20 50 EFGDMM CCC1(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000820944096 1428699670 /nfs/dbraw/zinc/69/96/70/1428699670.db2.gz HYDVYBPLMJSPIY-UHFFFAOYSA-N -1 1 340.309 2.519 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)OC1CCCCC1 ZINC000822795602 1428942101 /nfs/dbraw/zinc/94/21/01/1428942101.db2.gz DADWBWQIUGTYMQ-MDWZMJQESA-N -1 1 341.346 2.789 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)c1c[nH]c2cc(F)ccc12 ZINC000822795631 1428948960 /nfs/dbraw/zinc/94/89/60/1428948960.db2.gz DOCIISIPDKMUOZ-UITAMQMPSA-N -1 1 348.297 2.870 20 50 EFGDMM Cc1ccccc1[C@H](C)CC(=O)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826306248 1429107414 /nfs/dbraw/zinc/10/74/14/1429107414.db2.gz UKKOVXQVEVYQEG-CYBMUJFWSA-N -1 1 336.399 2.812 20 50 EFGDMM Cc1ccc(C(C)(C)C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826282205 1429334052 /nfs/dbraw/zinc/33/40/52/1429334052.db2.gz CSOHNSAYXSJBNS-UHFFFAOYSA-N -1 1 336.399 2.596 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(F)cc1Cl ZINC000826448172 1423246700 /nfs/dbraw/zinc/24/67/00/1423246700.db2.gz KXGVVQCWFGWDEQ-UHFFFAOYSA-N -1 1 347.741 2.808 20 50 EFGDMM Cc1cccc(C2(C(=O)NNc3cccc(-c4nnn[n-]4)c3)CCC2)c1 ZINC000826296554 1424390065 /nfs/dbraw/zinc/39/00/65/1424390065.db2.gz AYNZICRKUFGAQL-UHFFFAOYSA-N -1 1 348.410 2.740 20 50 EFGDMM CCCC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736412680 1425073437 /nfs/dbraw/zinc/07/34/37/1425073437.db2.gz TVXNVXBQWARBOB-UHFFFAOYSA-N -1 1 334.383 2.801 20 50 EFGDMM CC1(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCCCCC1 ZINC000824817634 1425820167 /nfs/dbraw/zinc/82/01/67/1425820167.db2.gz PVMDIBPLVAAWTO-UHFFFAOYSA-N -1 1 326.404 2.943 20 50 EFGDMM CC[C@H](C(=O)NN=Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736314053 1425953434 /nfs/dbraw/zinc/95/34/34/1425953434.db2.gz QPNRRLGTILGBGQ-INIZCTEOSA-N -1 1 334.383 2.511 20 50 EFGDMM CC[C@@H]1C[C@H](C)CCC1=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825180876 1426100078 /nfs/dbraw/zinc/10/00/78/1426100078.db2.gz BBRKWUXVAZHRAZ-VXGBXAGGSA-N -1 1 326.404 2.799 20 50 EFGDMM CC(C)(C(=O)NNc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000824064521 1426280309 /nfs/dbraw/zinc/28/03/09/1426280309.db2.gz KBDJXICMAILAAR-UHFFFAOYSA-N -1 1 328.420 2.916 20 50 EFGDMM O=C(C=Cc1ccccc1Cl)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826401490 1426291319 /nfs/dbraw/zinc/29/13/19/1426291319.db2.gz AAZXJHULIFLLFI-CMDGGOBGSA-N -1 1 340.774 2.677 20 50 EFGDMM N#CC(C(=O)c1cccc(-c2nnn[n-]2)c1)=C1COc2ccc(F)cc21 ZINC000826379611 1426651707 /nfs/dbraw/zinc/65/17/07/1426651707.db2.gz WYXGHCHWBBILRE-CCEZHUSRSA-N -1 1 347.309 2.558 20 50 EFGDMM CC(C)(C)c1ccc(C(=O)NNc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000824135612 1426792094 /nfs/dbraw/zinc/79/20/94/1426792094.db2.gz HFJGLKVZCDXNJQ-UHFFFAOYSA-N -1 1 342.428 2.983 20 50 EFGDMM N#CC(=Cc1cccnc1Cl)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379152 1426841388 /nfs/dbraw/zinc/84/13/88/1426841388.db2.gz KMIUSDQMUIUMAN-JYRVWZFOSA-N -1 1 336.742 2.705 20 50 EFGDMM CC[C@H](CC(=O)NNc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825082993 1426944072 /nfs/dbraw/zinc/94/40/72/1426944072.db2.gz WLVAVKPGMSKHFD-CYBMUJFWSA-N -1 1 336.399 2.894 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1cccc(F)c1 ZINC000826446270 1427226160 /nfs/dbraw/zinc/22/61/60/1427226160.db2.gz GAEAVINORFCSHT-UHFFFAOYSA-N -1 1 347.741 2.808 20 50 EFGDMM CCCCCCNC(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825272137 1427374522 /nfs/dbraw/zinc/37/45/22/1427374522.db2.gz WCIHNUOGOSTIMN-UKTHLTGXSA-N -1 1 342.378 2.609 20 50 EFGDMM O=C(NNc1ccccc1F)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826449590 1427936569 /nfs/dbraw/zinc/93/65/69/1427936569.db2.gz ZYTRRJWDAJNRDW-UHFFFAOYSA-N -1 1 347.741 2.808 20 50 EFGDMM C[C@@H]1CCCC[C@H]1CCNC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000736262150 1428041215 /nfs/dbraw/zinc/04/12/15/1428041215.db2.gz MOUNVZOVWUFXBX-OLZOCXBDSA-N -1 1 343.435 2.709 20 50 EFGDMM Cc1cc(C)c(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000737247223 1428053422 /nfs/dbraw/zinc/05/34/22/1428053422.db2.gz SRJORRDSQLSOQC-UHFFFAOYSA-N -1 1 334.383 2.556 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000826446885 1430002562 /nfs/dbraw/zinc/00/25/62/1430002562.db2.gz CMYVGJWKRXUFDM-UHFFFAOYSA-N -1 1 349.181 2.930 20 50 EFGDMM Cc1cc(C)c(C=CC(=O)NNc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000826262917 1441703921 /nfs/dbraw/zinc/70/39/21/1441703921.db2.gz CUZOEUIWCSRQEO-RMKNXTFCSA-N -1 1 348.410 2.948 20 50 EFGDMM N#CC(C#N)=CNCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826378980 1441752841 /nfs/dbraw/zinc/75/28/41/1441752841.db2.gz GGRWDFWMBUFJCN-UHFFFAOYSA-N -1 1 327.351 2.554 20 50 EFGDMM Cc1cc(Cl)cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826267366 1441892286 /nfs/dbraw/zinc/89/22/86/1441892286.db2.gz CCCVTFNYUZQEAF-UHFFFAOYSA-N -1 1 328.763 2.585 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000826447197 1441975137 /nfs/dbraw/zinc/97/51/37/1441975137.db2.gz SMXUXNYBQIMQHY-UHFFFAOYSA-N -1 1 349.181 2.930 20 50 EFGDMM CC[C@@H](CC1CCCC1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825115147 1441975416 /nfs/dbraw/zinc/97/54/16/1441975416.db2.gz UUIHKSVIYWZJRL-ZDUSSCGKSA-N -1 1 328.420 2.916 20 50 EFGDMM CC1(C)CCC(=CC(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824797502 1442041218 /nfs/dbraw/zinc/04/12/18/1442041218.db2.gz ZEOPMUZOFYWUBM-UHFFFAOYSA-N -1 1 326.404 2.836 20 50 EFGDMM Cc1oc2ccccc2c1C=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826342445 1442363619 /nfs/dbraw/zinc/36/36/19/1442363619.db2.gz LAGDWVOTSHNDSF-UHFFFAOYSA-N -1 1 346.350 2.685 20 50 EFGDMM COc1ccc(C=C(C#N)C(=O)CC(C)(C)C)cc1-c1nnn[n-]1 ZINC000737076817 1442422835 /nfs/dbraw/zinc/42/28/35/1442422835.db2.gz QFTAMTGUDZVVFE-GHXNOFRVSA-N -1 1 325.372 2.788 20 50 EFGDMM Cc1cccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822323992 1443138626 /nfs/dbraw/zinc/13/86/26/1443138626.db2.gz RTHYMYFKRBBEHF-DHZHZOJOSA-N -1 1 336.380 2.782 20 50 EFGDMM CCC=C(C)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825219272 1443186685 /nfs/dbraw/zinc/18/66/85/1443186685.db2.gz ISKBFAIRQXEYGT-YWEYNIOJSA-N -1 1 340.309 2.685 20 50 EFGDMM CC(=NNC(=O)c1cc2ccccc2o1)c1cccc(-c2nnn[n-]2)c1 ZINC000819772717 1443330412 /nfs/dbraw/zinc/33/04/12/1443330412.db2.gz JXMXXLHIQCIKTN-UHFFFAOYSA-N -1 1 346.350 2.767 20 50 EFGDMM CC(Cc1ccccc1C)=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820299394 1443538294 /nfs/dbraw/zinc/53/82/94/1443538294.db2.gz GGIMHIYQOUMYRM-UHFFFAOYSA-N -1 1 334.383 2.524 20 50 EFGDMM Cc1cccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000826299056 1443606686 /nfs/dbraw/zinc/60/66/86/1443606686.db2.gz PHEQPKPOOAJHEH-MDWZMJQESA-N -1 1 348.341 2.860 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000826448462 1443859479 /nfs/dbraw/zinc/85/94/79/1443859479.db2.gz WUYPYJUBHVPJCO-HUUCEWRRSA-N -1 1 326.404 2.526 20 50 EFGDMM CCCCC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821040471 1446146229 /nfs/dbraw/zinc/14/62/29/1446146229.db2.gz MDGKSEDOIVHTFA-UHFFFAOYSA-N -1 1 328.298 2.519 20 50 EFGDMM C[C@@H]1CCC[C@@H](CCNC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736247336 1446358175 /nfs/dbraw/zinc/35/81/75/1446358175.db2.gz BQHKROGLLJBQPJ-OLZOCXBDSA-N -1 1 343.435 2.709 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000826448585 1446499245 /nfs/dbraw/zinc/49/92/45/1446499245.db2.gz BHOLNGJRODXVOT-UHFFFAOYSA-N -1 1 349.181 2.930 20 50 EFGDMM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cc2ccccc2o1 ZINC000735446575 1446897603 /nfs/dbraw/zinc/89/76/03/1446897603.db2.gz AFBPUPLILLZORL-UHFFFAOYSA-N -1 1 346.350 2.767 20 50 EFGDMM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1C(C)(C)C1(C)C ZINC000823953491 1446989459 /nfs/dbraw/zinc/98/94/59/1446989459.db2.gz CMOLZCRUEPYSFS-UHFFFAOYSA-N -1 1 326.404 2.655 20 50 EFGDMM O=C(CCC1CCCCC1)NN=Cc1cccc(-c2nnn[n-]2)c1 ZINC000737824357 1449031577 /nfs/dbraw/zinc/03/15/77/1449031577.db2.gz QNVJLUXSLWHNAH-UHFFFAOYSA-N -1 1 326.404 2.677 20 50 EFGDMM CC(CSC(C)(C)C)=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736046266 1449422247 /nfs/dbraw/zinc/42/22/47/1449422247.db2.gz HQOHBKBTIKBLAQ-UHFFFAOYSA-N -1 1 332.433 2.504 20 50 EFGDMM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)C=CC2CCCCC2)o1 ZINC000735939535 1449455638 /nfs/dbraw/zinc/45/56/38/1449455638.db2.gz QZPLQWIQOQWNEM-CMDGGOBGSA-N -1 1 345.407 2.558 20 50 EFGDMM N#CC(=Cc1cc(F)cc(F)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379627 1450063882 /nfs/dbraw/zinc/06/38/82/1450063882.db2.gz XGYMYRFJZYNYRN-YIXHJXPBSA-N -1 1 337.289 2.935 20 50 EFGDMM CCc1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000825712362 1450126130 /nfs/dbraw/zinc/12/61/30/1450126130.db2.gz OYJRCYWZMKFZKD-RVDMUPIBSA-N -1 1 344.378 2.975 20 50 EFGDMM CCc1ccc(C(=O)NN=C(C)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000825704929 1450464507 /nfs/dbraw/zinc/46/45/07/1450464507.db2.gz QPPVQELXRBJTQT-UHFFFAOYSA-N -1 1 340.412 2.645 20 50 EFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C=C2CCC(C)CC2)o1 ZINC000736237372 944774018 /nfs/dbraw/zinc/77/40/18/944774018.db2.gz QCGAFVINCLXAJY-UHFFFAOYSA-N -1 1 345.407 2.558 20 50 EFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)CCCC2CCCC2)o1 ZINC000820203684 945380450 /nfs/dbraw/zinc/38/04/50/945380450.db2.gz XTSGXLLILWMJFC-UHFFFAOYSA-N -1 1 347.423 2.782 20 50 EFGDMM O=C([O-])c1ccccc1NC(=O)NNC(=O)c1cc2ccccc2o1 ZINC001594783158 953653647 /nfs/dbraw/zinc/65/36/47/953653647.db2.gz ULFDHEFINIFVLR-UHFFFAOYSA-N -1 1 339.307 2.598 20 50 EFGDMM O=C([O-])C1(C(=O)NNc2cc(C(F)(F)F)ccn2)CCCCC1 ZINC001594864413 954308632 /nfs/dbraw/zinc/30/86/32/954308632.db2.gz ASSANKUTCJGWQK-UHFFFAOYSA-N -1 1 331.294 2.579 20 50 EFGDMM Cc1cc(C(=O)[O-])cc(C(=O)NNC(=O)c2cc3ccccc3o2)c1 ZINC001594288482 957799087 /nfs/dbraw/zinc/79/90/87/957799087.db2.gz ROUFXWITJUWPTP-UHFFFAOYSA-N -1 1 338.319 2.514 20 50 EFGDMM CC(C)c1ccccc1NC(=S)NNC(=O)c1ccc(C(=O)[O-])o1 ZINC001591998784 976646835 /nfs/dbraw/zinc/64/68/35/976646835.db2.gz VPSSFGMQLOOJET-UHFFFAOYSA-N -1 1 347.396 2.733 20 50 EFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C2(C)CCCCCC2)o1 ZINC000824352805 609294864 /nfs/dbraw/zinc/29/48/64/609294864.db2.gz OOKDVNWPPLQQHO-UHFFFAOYSA-N -1 1 347.423 2.782 20 50 EFGDMM CCC[C@H](C)C(CC)=NNC(=O)COc1ccc(-c2nnn[n-]2)cc1 ZINC000821016077 1428252888 /nfs/dbraw/zinc/25/28/88/1428252888.db2.gz VFHYUQVMJILQEL-LBPRGKRZSA-N -1 1 344.419 2.564 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1cccc(C#N)c1 ZINC000826378986 1429448170 /nfs/dbraw/zinc/44/81/70/1429448170.db2.gz GJSJWKURXKWGJP-KPKJPENVSA-N -1 1 332.348 2.590 20 50 EFGDMM CC(C)(C(=O)NNc1cc(-c2nnn[n-]2)cc(Cl)n1)C1CCCC1 ZINC000824064975 1423386694 /nfs/dbraw/zinc/38/66/94/1423386694.db2.gz QWUYRBLAIKALTJ-UHFFFAOYSA-N -1 1 349.826 2.575 20 50 EFGDMM CCc1cnc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000825735673 1423396997 /nfs/dbraw/zinc/39/69/97/1423396997.db2.gz SJSAFIHBRSCATI-GHXNOFRVSA-N -1 1 336.380 2.675 20 50 EFGDMM O=C(NNc1ccc2ccccc2n1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738137490 1429704185 /nfs/dbraw/zinc/70/41/85/1429704185.db2.gz OLLPBYRFVUFBGB-UHFFFAOYSA-N -1 1 346.354 2.564 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000826446662 1425026521 /nfs/dbraw/zinc/02/65/21/1425026521.db2.gz UBZHYNXPUGLVHM-HUUCEWRRSA-N -1 1 326.404 2.526 20 50 EFGDMM Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822212960 1425098471 /nfs/dbraw/zinc/09/84/71/1425098471.db2.gz ONLIAQDOPDKVBY-UHFFFAOYSA-N -1 1 345.340 2.672 20 50 EFGDMM Cc1cccc(NC(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826298980 1425202238 /nfs/dbraw/zinc/20/22/38/1425202238.db2.gz MVLIJZAVVYZLOO-GXDHUFHOSA-N -1 1 330.351 2.721 20 50 EFGDMM CN(C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000821569633 1426640301 /nfs/dbraw/zinc/64/03/01/1426640301.db2.gz QEUVDQYGMUZYBU-ZROIWOOFSA-N -1 1 348.341 2.576 20 50 EFGDMM COc1cc(C(C#N)=Cc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826177399 1427308631 /nfs/dbraw/zinc/30/86/31/1427308631.db2.gz GTJZBNSCQCFKQH-MDWZMJQESA-N -1 1 348.322 2.848 20 50 EFGDMM O=C(NN=C1CCC[C@H]1c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738128740 1427441035 /nfs/dbraw/zinc/44/10/35/1427441035.db2.gz KTFTXHWRZMQYPC-INIZCTEOSA-N -1 1 346.394 2.920 20 50 EFGDMM O=C(CCC1CCCCC1)NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826405701 1441482964 /nfs/dbraw/zinc/48/29/64/1441482964.db2.gz QJPPGJHYTIXHDV-UHFFFAOYSA-N -1 1 349.826 2.719 20 50 EFGDMM C[C@H]1CC(C)(C)CCC1=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820649299 1441737872 /nfs/dbraw/zinc/73/78/72/1441737872.db2.gz KGCPUPCIXJLHAU-NSHDSACASA-N -1 1 326.404 2.799 20 50 EFGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)c1nc(-c2ccccc2)no1 ZINC000822795466 1441803023 /nfs/dbraw/zinc/80/30/23/1441803023.db2.gz BJWBDXRXWDZDHY-DHZHZOJOSA-N -1 1 331.295 2.574 20 50 EFGDMM O=C(NN=C1CCC[C@H]1c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738129128 1442111877 /nfs/dbraw/zinc/11/18/77/1442111877.db2.gz ORRZZUCFQHEZGH-INIZCTEOSA-N -1 1 346.394 2.920 20 50 EFGDMM CCCC[C@H]1CCCC1=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736441737 1442135370 /nfs/dbraw/zinc/13/53/70/1442135370.db2.gz UAWOYMOZCHNGDU-LBPRGKRZSA-N -1 1 326.404 2.943 20 50 EFGDMM CC(C)[C@@H]1CCCC[C@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000735749628 1442326640 /nfs/dbraw/zinc/32/66/40/1442326640.db2.gz NTNXQRXKMBMIEN-LSDHHAIUSA-N -1 1 343.435 2.708 20 50 EFGDMM O=C(CCC1CCCCC1)NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822949975 1443243224 /nfs/dbraw/zinc/24/32/24/1443243224.db2.gz AOYOAKVCBZQBFW-UHFFFAOYSA-N -1 1 344.394 2.816 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)OC1CCCCC1 ZINC000822795494 1443333191 /nfs/dbraw/zinc/33/31/91/1443333191.db2.gz BPJMQLTZLKFYIY-CSKARUKUSA-N -1 1 329.385 2.711 20 50 EFGDMM COc1ccc(C=C(C#N)C(=O)c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000737076210 1443409806 /nfs/dbraw/zinc/40/98/06/1443409806.db2.gz NATRCHBABWOJKT-JYRVWZFOSA-N -1 1 349.325 2.804 20 50 EFGDMM CC1(CC(=O)NNc2cc(-c3nnn[n-]3)cc(Cl)n2)CCCCC1 ZINC000824818122 1443785816 /nfs/dbraw/zinc/78/58/16/1443785816.db2.gz RQDSCLATLFQHRT-UHFFFAOYSA-N -1 1 349.826 2.719 20 50 EFGDMM Cc1ccc2c(CC(=O)NNc3cccc(-c4nnn[n-]4)c3)coc2c1 ZINC000826293164 1443796175 /nfs/dbraw/zinc/79/61/75/1443796175.db2.gz DCOWKTLAYDEVCB-UHFFFAOYSA-N -1 1 348.366 2.607 20 50 EFGDMM Cc1ccc(C2CC(=NNC(=O)c3ccc(-c4nnn[n-]4)cc3)C2)cc1 ZINC000737328251 1443842707 /nfs/dbraw/zinc/84/27/07/1443842707.db2.gz FKUFCJZNXXGRSD-UHFFFAOYSA-N -1 1 346.394 2.839 20 50 EFGDMM O=C(NN=C1CC[C@@H]2CCCC[C@@H]2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738128674 1443891319 /nfs/dbraw/zinc/89/13/19/1443891319.db2.gz GOPCNPLIZLBUJX-QWHCGFSZSA-N -1 1 338.415 2.943 20 50 EFGDMM N#CC(=Cc1ncc[nH]1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737672934 1446117505 /nfs/dbraw/zinc/11/75/05/1446117505.db2.gz SJAPWIPXHUFBPR-GHXNOFRVSA-N -1 1 346.379 2.777 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000826446663 1446175613 /nfs/dbraw/zinc/17/56/13/1446175613.db2.gz UBZHYNXPUGLVHM-LSDHHAIUSA-N -1 1 326.404 2.526 20 50 EFGDMM Cc1ccc(C(C)(C)C(=O)NNc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826282215 1446205509 /nfs/dbraw/zinc/20/55/09/1446205509.db2.gz DBBQMEDCUSEYTE-UHFFFAOYSA-N -1 1 336.399 2.596 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000826446703 1446243222 /nfs/dbraw/zinc/24/32/22/1446243222.db2.gz VHFKSJSNJMFWAZ-VHDGCEQUSA-N -1 1 340.431 2.916 20 50 EFGDMM O=C(C=Cc1ccc(Cl)cc1)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826399951 1446502806 /nfs/dbraw/zinc/50/28/06/1446502806.db2.gz KYESWKIGVRMDSL-XCVCLJGOSA-N -1 1 340.774 2.677 20 50 EFGDMM CCC[C@@H](C(=O)NNc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825225013 1446652068 /nfs/dbraw/zinc/65/20/68/1446652068.db2.gz JKADMWRDBROHKE-MRXNPFEDSA-N -1 1 336.399 2.894 20 50 EFGDMM CC(C)[C@H]1CCC[C@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000735748446 1446976401 /nfs/dbraw/zinc/97/64/01/1446976401.db2.gz IILUGQUBVRMRHK-JSGCOSHPSA-N -1 1 343.435 2.708 20 50 EFGDMM C[C@H]1C[C@@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000824864980 1447063818 /nfs/dbraw/zinc/06/38/18/1447063818.db2.gz GLBBYDYBZQPLQI-WCQYABFASA-N -1 1 328.420 2.772 20 50 EFGDMM Cn1c2ccccc2nc1C(C#N)=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822596118 1447218451 /nfs/dbraw/zinc/21/84/51/1447218451.db2.gz HFLPCBIFGQMDPI-POHAHGRESA-N -1 1 333.380 2.879 20 50 EFGDMM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)CCC2 ZINC000735447942 1447229616 /nfs/dbraw/zinc/22/96/16/1447229616.db2.gz MRKBPCSOGPANLO-UHFFFAOYSA-N -1 1 346.394 2.509 20 50 EFGDMM Cn1ccc2c1cccc2NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826363686 1449333438 /nfs/dbraw/zinc/33/34/38/1449333438.db2.gz XQDCMVYEQSAJKD-UHFFFAOYSA-N -1 1 348.370 2.507 20 50 EFGDMM N#CC(=Cc1ccc(C#N)cc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379126 1449334920 /nfs/dbraw/zinc/33/49/20/1449334920.db2.gz JOKBXYUTKLFTFA-LZYBPNLTSA-N -1 1 326.319 2.528 20 50 EFGDMM CC[C@H](C(=O)NN=Cc1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000820842013 1449354354 /nfs/dbraw/zinc/35/43/54/1449354354.db2.gz ICALMHUGDFCIBT-ZDUSSCGKSA-N -1 1 340.412 2.572 20 50 EFGDMM Cc1c(Cl)cccc1NNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826236939 1449616069 /nfs/dbraw/zinc/61/60/69/1449616069.db2.gz IDAKNJJXSNNYKE-UHFFFAOYSA-N -1 1 334.792 2.647 20 50 EFGDMM CCC1(C)CCC(=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820949666 1449838917 /nfs/dbraw/zinc/83/89/17/1449838917.db2.gz DGRJFIHSVSQVDE-UHFFFAOYSA-N -1 1 326.404 2.943 20 50 EFGDMM O=C(NN(c1ccccc1)c1ccccc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826443777 1449924458 /nfs/dbraw/zinc/92/44/58/1449924458.db2.gz CQKGTSXKGRJOEK-UHFFFAOYSA-N -1 1 345.366 2.678 20 50 EFGDMM O=C(C[C@H]1CCCc2ccccc21)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826405141 1449949705 /nfs/dbraw/zinc/94/97/05/1449949705.db2.gz WSHGCOXVOHAUMB-CQSZACIVSA-N -1 1 348.410 2.820 20 50 EFGDMM Cc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822242214 1450217621 /nfs/dbraw/zinc/21/76/21/1450217621.db2.gz DVAKUORXJMMRDZ-FLIBITNWSA-N -1 1 336.380 2.782 20 50 EFGDMM CCCC1CCC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736435391 1450330255 /nfs/dbraw/zinc/33/02/55/1450330255.db2.gz LJUGGGBZGDCNLZ-UHFFFAOYSA-N -1 1 326.404 2.943 20 50 EFGDMM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000735749622 1450394088 /nfs/dbraw/zinc/39/40/88/1450394088.db2.gz NTNXQRXKMBMIEN-GJZGRUSLSA-N -1 1 343.435 2.708 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)c1csc2c1CCCC2 ZINC000826447832 1450493815 /nfs/dbraw/zinc/49/38/15/1450493815.db2.gz XYWBQTVPLSMBJP-UHFFFAOYSA-N -1 1 340.412 2.564 20 50 EFGDMM C=CCn1c(C)cc(C(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)o2)c1C ZINC000819759508 945283626 /nfs/dbraw/zinc/28/36/26/945283626.db2.gz YCHMQFCWIIVZIX-UKTHLTGXSA-N -1 1 348.366 2.854 20 50 EFGDMM C=CCn1c(C)cc(C(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)o2)c1C ZINC000819759508 945283632 /nfs/dbraw/zinc/28/36/32/945283632.db2.gz YCHMQFCWIIVZIX-UKTHLTGXSA-N -1 1 348.366 2.854 20 50 EFGDMM O=C([O-])c1cccc(NC(=O)NNC(=O)c2cc3ccccc3o2)c1 ZINC001594782902 953650723 /nfs/dbraw/zinc/65/07/23/953650723.db2.gz MLNWYBHMUCESHA-UHFFFAOYSA-N -1 1 339.307 2.598 20 50 EFGDMM O=C([O-])C1(C(=O)NN=c2[nH]ccnc2C2CCC2)CCCCCC1 ZINC001594867694 954321465 /nfs/dbraw/zinc/32/14/65/954321465.db2.gz QSASGDJREOCKJB-UHFFFAOYSA-N -1 1 332.404 2.612 20 50 EFGDMM CCN(CC)Cc1ccc(C(=O)NN=C2CC[C@@H](CC(=O)[O-])[C@@H]2C)o1 ZINC001324253744 961029740 /nfs/dbraw/zinc/02/97/40/961029740.db2.gz KXZLFEUGWGVQKR-STQMWFEESA-N -1 1 349.431 2.728 20 50 EFGDMM CCN(CC)[C@H](C(=O)NNc1ccccc1C(=O)[O-])c1ccccc1 ZINC001596253962 983659891 /nfs/dbraw/zinc/65/98/91/983659891.db2.gz UIDSZRXJFHLFKY-KRWDZBQOSA-N -1 1 341.411 2.911 20 50 EFGDMM C=C(CBr)CN1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC001588605552 983693489 /nfs/dbraw/zinc/69/34/89/983693489.db2.gz LGZKRYPZBRIERW-UHFFFAOYSA-N -1 1 340.217 2.703 20 50 EFGDMM CCN(CC)Cc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2)o1 ZINC001596275604 983694391 /nfs/dbraw/zinc/69/43/91/983694391.db2.gz MSYDJBGUFNHZKY-UHFFFAOYSA-N -1 1 331.372 2.577 20 50 EFGDMM CC(C)(NC[C@H](CBr)C1CC1)c1nocc1C(=O)[O-] ZINC001590866456 990758075 /nfs/dbraw/zinc/75/80/75/990758075.db2.gz AQUVOIBRFFKVOY-VIFPVBQESA-N -1 1 331.210 2.619 20 50 EFGDMM BrC[C@@H]1CCCCN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139094995 1442245415 /nfs/dbraw/zinc/24/54/15/1442245415.db2.gz OFZXMRJZURYYOM-ZDUSSCGKSA-N -1 1 336.237 2.616 20 50 EFGDMM BrC[C@@H]1CCCCN1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139094995 1442245422 /nfs/dbraw/zinc/24/54/22/1442245422.db2.gz OFZXMRJZURYYOM-ZDUSSCGKSA-N -1 1 336.237 2.616 20 50 EFGDMM Cc1cccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1Cl ZINC000826296031 1428692605 /nfs/dbraw/zinc/69/26/05/1428692605.db2.gz HGJZSHBRSWNWHW-UHFFFAOYSA-N -1 1 328.763 2.585 20 50 EFGDMM CCCC[C@H]1CCC[C@@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000736440542 1429074274 /nfs/dbraw/zinc/07/42/74/1429074274.db2.gz DANQNIMOLWJTMQ-WFASDCNBSA-N -1 1 343.435 2.852 20 50 EFGDMM CC[C@H](Cc1ccccc1)C(=O)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000825128588 1429083501 /nfs/dbraw/zinc/08/35/01/1429083501.db2.gz VYQYWVJFOQQYBC-CQSZACIVSA-N -1 1 336.399 2.579 20 50 EFGDMM O=C(NNc1cc(-c2nnn[n-]2)cc(Cl)n1)C1CCCCCCC1 ZINC000826445346 1429273263 /nfs/dbraw/zinc/27/32/63/1429273263.db2.gz QDZLZCLUAMQUJI-UHFFFAOYSA-N -1 1 349.826 2.719 20 50 EFGDMM O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826447729 1429432858 /nfs/dbraw/zinc/43/28/58/1429432858.db2.gz TUFDTRZECBZBGJ-UHFFFAOYSA-N -1 1 348.288 2.642 20 50 EFGDMM C[C@@H]1CCCC[C@@H]1NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000820703754 1423710729 /nfs/dbraw/zinc/71/07/29/1423710729.db2.gz JZFPONRUFDOLPA-RGRUTMMBSA-N -1 1 342.428 2.530 20 50 EFGDMM CCC(CC)C(=O)C(C#N)=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000736337582 1423961952 /nfs/dbraw/zinc/96/19/52/1423961952.db2.gz KWFITLMRLYUOGI-JYRVWZFOSA-N -1 1 325.372 2.788 20 50 EFGDMM C[C@@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000824385509 1425026602 /nfs/dbraw/zinc/02/66/02/1425026602.db2.gz VVVPLSURRZPGSI-LBPRGKRZSA-N -1 1 328.420 2.916 20 50 EFGDMM CC[C@@H]1CCC[C@H](C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825195756 1425241081 /nfs/dbraw/zinc/24/10/81/1425241081.db2.gz YRCGHDFXPPLIMM-OLZOCXBDSA-N -1 1 326.404 2.799 20 50 EFGDMM C[C@H]1C(=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1c1ccccc1 ZINC000820642322 1426359621 /nfs/dbraw/zinc/35/96/21/1426359621.db2.gz HZWXBRBBZGIUNP-MLGOLLRUSA-N -1 1 346.394 2.776 20 50 EFGDMM CC(=CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000823942622 1426752548 /nfs/dbraw/zinc/75/25/48/1426752548.db2.gz HDDBNZQDKWYWCX-LUAWRHEFSA-N -1 1 338.346 2.552 20 50 EFGDMM CCc1ccc(C(C)=NNC(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000736686138 1427033693 /nfs/dbraw/zinc/03/36/93/1427033693.db2.gz JQTDOFFVYZWLMS-UHFFFAOYSA-N -1 1 340.412 2.645 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)Nc1ccccc1F ZINC000822796712 1427284751 /nfs/dbraw/zinc/28/47/51/1427284751.db2.gz WSENMIATYHRTPE-VQHVLOKHSA-N -1 1 340.343 2.613 20 50 EFGDMM CC1(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCC1 ZINC000820578240 1427671377 /nfs/dbraw/zinc/67/13/77/1427671377.db2.gz YVWAAGTZKROSKP-UHFFFAOYSA-N -1 1 340.309 2.519 20 50 EFGDMM N#CC(=Cc1cccc(F)c1F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379275 1428102829 /nfs/dbraw/zinc/10/28/29/1428102829.db2.gz NRAVWBBOUHWMQE-QPEQYQDCSA-N -1 1 337.289 2.935 20 50 EFGDMM CC1(C)CCC[C@H](C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824801138 1429968040 /nfs/dbraw/zinc/96/80/40/1429968040.db2.gz BWGARAFLMDLTOH-LBPRGKRZSA-N -1 1 326.404 2.799 20 50 EFGDMM C[C@H](CC(=O)NNc1ccc(-c2nnn[n-]2)cc1)c1ccccc1F ZINC000824384784 1430069960 /nfs/dbraw/zinc/06/99/60/1430069960.db2.gz HMZNSJOEPNRJEC-LLVKDONJSA-N -1 1 340.362 2.643 20 50 EFGDMM CCc1ccc(CCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825711852 1441820922 /nfs/dbraw/zinc/82/09/22/1441820922.db2.gz HHCCSFIFOYRVRV-UHFFFAOYSA-N -1 1 336.399 2.505 20 50 EFGDMM Cc1cccc(NC(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826298981 1441938604 /nfs/dbraw/zinc/93/86/04/1441938604.db2.gz MVLIJZAVVYZLOO-UVTDQMKNSA-N -1 1 330.351 2.721 20 50 EFGDMM CSc1ccccc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826231287 1442077291 /nfs/dbraw/zinc/07/72/91/1442077291.db2.gz FJARCNMNLZGXAW-UHFFFAOYSA-N -1 1 341.400 2.737 20 50 EFGDMM Cc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822242691 1442197071 /nfs/dbraw/zinc/19/70/71/1442197071.db2.gz UMPPFNQCSFUHDT-ZSOIEALJSA-N -1 1 348.341 2.860 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1cccc(C#N)c1 ZINC000826379017 1442226795 /nfs/dbraw/zinc/22/67/95/1442226795.db2.gz HFAQTHHXGPEEBZ-VIZOYTHASA-N -1 1 344.309 2.667 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc2ccccc2s1 ZINC000826449066 1442228672 /nfs/dbraw/zinc/22/86/72/1442228672.db2.gz ZVEFRWVQNXXWOO-UHFFFAOYSA-N -1 1 336.380 2.838 20 50 EFGDMM O=C(CCC=Cc1ccccc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826405803 1442433888 /nfs/dbraw/zinc/43/38/88/1442433888.db2.gz UNZNORWVKMDYIF-RUDMXATFSA-N -1 1 334.383 2.803 20 50 EFGDMM O=C(C[C@@H]1CCc2ccccc2C1)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826404852 1443522081 /nfs/dbraw/zinc/52/20/81/1443522081.db2.gz NSAVJVFVAWPNKL-CYBMUJFWSA-N -1 1 348.410 2.505 20 50 EFGDMM O=C(NN(c1ccccc1)c1ccccc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826444277 1443536926 /nfs/dbraw/zinc/53/69/26/1443536926.db2.gz ZCEYLHFYWDUUSU-UHFFFAOYSA-N -1 1 345.366 2.678 20 50 EFGDMM O=C(CC=Cc1cccc(F)c1)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826404574 1443619133 /nfs/dbraw/zinc/61/91/33/1443619133.db2.gz FMTIBDIAVOQMQN-DUXPYHPUSA-N -1 1 338.346 2.552 20 50 EFGDMM Cn1c(C(C#N)=Cc2ccccc2-c2nnn[n-]2)nc2ccccc21 ZINC000826354988 1443633041 /nfs/dbraw/zinc/63/30/41/1443633041.db2.gz FJUQLDKHVVZTPW-RAXLEYEMSA-N -1 1 327.351 2.818 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)c1cccc(Cl)c1 ZINC000822796729 1444018969 /nfs/dbraw/zinc/01/89/69/1444018969.db2.gz XBWKJMLWAHZHIO-JXMROGBWSA-N -1 1 325.715 2.903 20 50 EFGDMM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NNc1ccccc1 ZINC000735661622 1446298518 /nfs/dbraw/zinc/29/85/18/1446298518.db2.gz OXXCLCLEBWXLCG-UHFFFAOYSA-N -1 1 340.391 2.572 20 50 EFGDMM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)C(C)(C)C2CCCC2)o1 ZINC000824352804 1446327292 /nfs/dbraw/zinc/32/72/92/1446327292.db2.gz OOJMQKIHNKIODL-UHFFFAOYSA-N -1 1 347.423 2.638 20 50 EFGDMM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)Nc1ccccc1 ZINC000826378793 1446472209 /nfs/dbraw/zinc/47/22/09/1446472209.db2.gz ALFSPDMTVXATBQ-WQLSENKSSA-N -1 1 334.314 2.551 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000822795827 1446483019 /nfs/dbraw/zinc/48/30/19/1446483019.db2.gz HVFRLWJJMBQCNS-NTUHNPAUSA-N -1 1 336.286 2.978 20 50 EFGDMM Cc1ccc(CCCC(=O)NNc2cccc(-c3nnn[n-]3)c2)s1 ZINC000826287401 1446490730 /nfs/dbraw/zinc/49/07/30/1446490730.db2.gz NNBPUCJQKYQGRW-UHFFFAOYSA-N -1 1 342.428 2.703 20 50 EFGDMM O=C(Cc1cccc2ccccc21)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826423335 1446744539 /nfs/dbraw/zinc/74/45/39/1446744539.db2.gz KGPFGLRNQUKMLB-UHFFFAOYSA-N -1 1 344.378 2.706 20 50 EFGDMM Cc1c(NC(=O)NNc2ccccc2Cl)cccc1-c1nnn[n-]1 ZINC000826242014 1446753351 /nfs/dbraw/zinc/75/33/51/1446753351.db2.gz WXVQCJANVQEMIW-UHFFFAOYSA-N -1 1 343.778 2.977 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc2ccccc2c1 ZINC000826448762 1447175140 /nfs/dbraw/zinc/17/51/40/1447175140.db2.gz KGDUXPWUCGBSQW-UHFFFAOYSA-N -1 1 330.351 2.777 20 50 EFGDMM Cc1ccccc1NC(=O)C(C#N)=Cc1ccccc1-c1nnn[n-]1 ZINC000826307515 1449504286 /nfs/dbraw/zinc/50/42/86/1449504286.db2.gz LDXZAUKDPNXXMH-UVTDQMKNSA-N -1 1 330.351 2.721 20 50 EFGDMM CC1(c2ccccc2)CC(=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736224691 1449797276 /nfs/dbraw/zinc/79/72/76/1449797276.db2.gz VCMCTTCXXRYDSW-UHFFFAOYSA-N -1 1 346.394 2.704 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000826446700 1449962399 /nfs/dbraw/zinc/96/23/99/1449962399.db2.gz VHFKSJSNJMFWAZ-AEGPPILISA-N -1 1 340.431 2.916 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1sccc1C1CC1 ZINC000826449334 1450006967 /nfs/dbraw/zinc/00/69/67/1450006967.db2.gz MWBRFKTWJURJIB-UHFFFAOYSA-N -1 1 326.385 2.563 20 50 EFGDMM C[C@H](CC(=O)NNc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000824385720 1450199747 /nfs/dbraw/zinc/19/97/47/1450199747.db2.gz ZUAKVOCEYVNTBH-LLVKDONJSA-N -1 1 340.362 2.643 20 50 EFGDMM CC(C)[C@H](C(=O)NNc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824185360 1450375070 /nfs/dbraw/zinc/37/50/70/1450375070.db2.gz XCTIBTCIRNLTRL-INIZCTEOSA-N -1 1 336.399 2.750 20 50 EFGDMM CC[C@@H](C(=O)NN=Cc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000820842008 945568118 /nfs/dbraw/zinc/56/81/18/945568118.db2.gz ICALMHUGDFCIBT-CYBMUJFWSA-N -1 1 340.412 2.572 20 50 EFGDMM CCc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000821487070 945708004 /nfs/dbraw/zinc/70/80/04/945708004.db2.gz PIVXBYUEPNPXCO-FMIVXFBMSA-N -1 1 334.339 2.568 20 50 EFGDMM CCc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000821487070 945708007 /nfs/dbraw/zinc/70/80/07/945708007.db2.gz PIVXBYUEPNPXCO-FMIVXFBMSA-N -1 1 334.339 2.568 20 50 EFGDMM CC(=NNC(=O)c1ccc(O)c(Cl)c1)c1ccc(C(=O)[O-])cc1 ZINC000734095895 978300542 /nfs/dbraw/zinc/30/05/42/978300542.db2.gz AIRGTAZMHIYAPC-UHFFFAOYSA-N -1 1 332.743 2.898 20 50 EFGDMM CCN(CC)Cc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2C)o1 ZINC001596275546 983694384 /nfs/dbraw/zinc/69/43/84/983694384.db2.gz JWQXBAPJFMJQAF-UHFFFAOYSA-N -1 1 345.399 2.885 20 50 EFGDMM CC(C)(C)[C@H](Br)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000272561575 1424757243 /nfs/dbraw/zinc/75/72/43/1424757243.db2.gz ABUVWZRTPLPMPB-SNVBAGLBSA-N -1 1 338.209 2.615 20 50 EFGDMM CCCCCCNC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821056832 1428363894 /nfs/dbraw/zinc/36/38/94/1428363894.db2.gz YOSDQQSFDGRVCR-NTEUORMPSA-N -1 1 342.378 2.609 20 50 EFGDMM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)Nc1ccc(F)cc1 ZINC000822795650 1428840711 /nfs/dbraw/zinc/84/07/11/1428840711.db2.gz FHSLMCXPTLCHMC-WEVVVXLNSA-N -1 1 340.343 2.613 20 50 EFGDMM C[C@@H]1CC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000736224069 1429571418 /nfs/dbraw/zinc/57/14/18/1429571418.db2.gz LGYMCDJLMVZWBG-LLVKDONJSA-N -1 1 326.404 2.799 20 50 EFGDMM Cc1cccc(C2(C(=O)NNc3ccc(-c4nnn[n-]4)cc3)CCC2)c1 ZINC000826297097 1429573029 /nfs/dbraw/zinc/57/30/29/1429573029.db2.gz VFKMHYZTXHMBRY-UHFFFAOYSA-N -1 1 348.410 2.740 20 50 EFGDMM CC[C@@H](C(=O)NN=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000825039171 1429580173 /nfs/dbraw/zinc/58/01/73/1429580173.db2.gz NNMNIXNNNLELHM-OAHLLOKOSA-N -1 1 334.383 2.511 20 50 EFGDMM CC[C@H]1CCC[C@H](C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825192337 1424006506 /nfs/dbraw/zinc/00/65/06/1424006506.db2.gz GLIPKYRZSSYYTI-STQMWFEESA-N -1 1 326.404 2.799 20 50 EFGDMM COc1ccccc1C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821882435 1424486429 /nfs/dbraw/zinc/48/64/29/1424486429.db2.gz ALVAFTCWSGDFBI-POHAHGRESA-N -1 1 337.364 2.727 20 50 EFGDMM CC(=NNC(=O)C(C)(C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000735449165 1424859315 /nfs/dbraw/zinc/85/93/15/1424859315.db2.gz WXNGBOSYQWZQPW-UHFFFAOYSA-N -1 1 348.410 2.685 20 50 EFGDMM O=C(NNc1cccc2c1CCCC2)c1cc(-c2nnn[n-]2)cs1 ZINC000826449170 1425126115 /nfs/dbraw/zinc/12/61/15/1425126115.db2.gz FKBKVPLYEYZEEU-UHFFFAOYSA-N -1 1 340.412 2.564 20 50 EFGDMM CC(C)(Cc1ccccc1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824163042 1425395115 /nfs/dbraw/zinc/39/51/15/1425395115.db2.gz WYGBVDWUYFVYMV-UHFFFAOYSA-N -1 1 336.399 2.579 20 50 EFGDMM O=C(NN=C(Cc1ccccc1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738129569 1425650345 /nfs/dbraw/zinc/65/03/45/1425650345.db2.gz VHKDAYGRHGRPRN-UHFFFAOYSA-N -1 1 346.394 2.605 20 50 EFGDMM CC(C=NNC(=O)c1cccc(-c2nnn[n-]2)c1)=Cc1ccccc1 ZINC000735963519 1425661023 /nfs/dbraw/zinc/66/10/23/1425661023.db2.gz GHQQUNSKVZPCPI-SOLKCNCLSA-N -1 1 332.367 2.686 20 50 EFGDMM CC1(C)CCC(C(=O)NNc2cc(-c3nnn[n-]3)cc(Cl)n2)CC1 ZINC000824795924 1425920788 /nfs/dbraw/zinc/92/07/88/1425920788.db2.gz JAXSVVAKGGFIJE-UHFFFAOYSA-N -1 1 349.826 2.575 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000826447268 1426197343 /nfs/dbraw/zinc/19/73/43/1426197343.db2.gz XMWSBMYBZKSCFZ-UHFFFAOYSA-N -1 1 348.288 2.642 20 50 EFGDMM CC(=Cc1ccc(C)cc1)C(=O)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000823942328 1426202488 /nfs/dbraw/zinc/20/24/88/1426202488.db2.gz BFKNCCBHABJVNI-ACCUITESSA-N -1 1 334.383 2.722 20 50 EFGDMM CCCC(CCC)C(=O)NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825242139 1426450023 /nfs/dbraw/zinc/45/00/23/1426450023.db2.gz JFQAIXPQBLQFAJ-UHFFFAOYSA-N -1 1 337.815 2.575 20 50 EFGDMM C[C@@H](C=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824385115 1426631387 /nfs/dbraw/zinc/63/13/87/1426631387.db2.gz LYXRIWHAKRWMGT-NSHDSACASA-N -1 1 338.346 2.525 20 50 EFGDMM CC[C@H](C(=O)NN=C(C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736311965 1426802094 /nfs/dbraw/zinc/80/20/94/1426802094.db2.gz CZIFOVIWTRMYSU-KRWDZBQOSA-N -1 1 348.410 2.901 20 50 EFGDMM Cc1ccccc1[C@H](C)CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826306458 1426992164 /nfs/dbraw/zinc/99/21/64/1426992164.db2.gz ZMLAPVNBRITNRC-CYBMUJFWSA-N -1 1 336.399 2.812 20 50 EFGDMM CCCC[C@@H](CC)C(=O)NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825260452 1427851165 /nfs/dbraw/zinc/85/11/65/1427851165.db2.gz PLGGHMHIJWUCTF-SECBINFHSA-N -1 1 337.815 2.575 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)C1(c2ccccc2)CCCC1 ZINC000826447733 1428021490 /nfs/dbraw/zinc/02/14/90/1428021490.db2.gz TWFPVLSYEKNLLH-UHFFFAOYSA-N -1 1 348.410 2.822 20 50 EFGDMM C[C@H]1CCC[C@@H](CCNC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736247338 1429981205 /nfs/dbraw/zinc/98/12/05/1429981205.db2.gz BQHKROGLLJBQPJ-STQMWFEESA-N -1 1 343.435 2.709 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1ccc(F)cc1 ZINC000822796220 1430055842 /nfs/dbraw/zinc/05/58/42/1430055842.db2.gz NCWPXYFJRLEZFV-JXMROGBWSA-N -1 1 325.328 2.857 20 50 EFGDMM C[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000824039620 1430154182 /nfs/dbraw/zinc/15/41/82/1430154182.db2.gz GACIQEHISGUVKE-JTQLQIEISA-N -1 1 342.790 2.767 20 50 EFGDMM O=C(NN=C1CC[C@H]2CCCC[C@H]2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738128673 1430176472 /nfs/dbraw/zinc/17/64/72/1430176472.db2.gz GOPCNPLIZLBUJX-OLZOCXBDSA-N -1 1 338.415 2.943 20 50 EFGDMM C[C@H](C=NNC(=O)c1cccc(-c2nnn[n-]2)c1)CCc1ccccc1 ZINC000820220187 1441567019 /nfs/dbraw/zinc/56/70/19/1441567019.db2.gz OKPZRBDIKVWWCV-AWEZNQCLSA-N -1 1 348.410 2.851 20 50 EFGDMM N#CC(=Cc1ccc(F)c(F)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379659 1441653511 /nfs/dbraw/zinc/65/35/11/1441653511.db2.gz YGFVOVOHQHURRJ-MLPAPPSSSA-N -1 1 337.289 2.935 20 50 EFGDMM CC(Cc1ccccc1C)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820300341 1441691797 /nfs/dbraw/zinc/69/17/97/1441691797.db2.gz PXQIAJDYSLKKKA-UHFFFAOYSA-N -1 1 334.383 2.524 20 50 EFGDMM CC(C)(C)c1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824136241 1441834797 /nfs/dbraw/zinc/83/47/97/1441834797.db2.gz NQOQYQLGJXKTOK-UHFFFAOYSA-N -1 1 336.399 2.921 20 50 EFGDMM Cc1cc(C)cc(NNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000826264274 1441938052 /nfs/dbraw/zinc/93/80/52/1441938052.db2.gz IBEKSSPEUVANMW-UHFFFAOYSA-N -1 1 344.325 2.519 20 50 EFGDMM CCc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000821487071 1442038911 /nfs/dbraw/zinc/03/89/11/1442038911.db2.gz PIVXBYUEPNPXCO-XFXZXTDPSA-N -1 1 334.339 2.568 20 50 EFGDMM COc1cccc(C(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826213917 1442440210 /nfs/dbraw/zinc/44/02/10/1442440210.db2.gz RPUUSFDZWCNDOE-ZROIWOOFSA-N -1 1 331.335 2.665 20 50 EFGDMM O=C(CCc1ccccc1Cl)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826409083 1443096164 /nfs/dbraw/zinc/09/61/64/1443096164.db2.gz HXZQLPZWGIPNQM-UHFFFAOYSA-N -1 1 342.790 2.596 20 50 EFGDMM O=C(NN=Cc1ccccc1C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000823273765 1443189938 /nfs/dbraw/zinc/18/99/38/1443189938.db2.gz XDOAFEMCDZGAID-UHFFFAOYSA-N -1 1 332.367 2.508 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)c1ccc2sccc2c1 ZINC000826447073 1443298272 /nfs/dbraw/zinc/29/82/72/1443298272.db2.gz LTBAVXSUMXHHTF-UHFFFAOYSA-N -1 1 336.380 2.838 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)c1cc2ccccc2o1 ZINC000822795622 1443308921 /nfs/dbraw/zinc/30/89/21/1443308921.db2.gz DFVIXPWCXFSLKP-YRNVUSSQSA-N -1 1 331.291 2.996 20 50 EFGDMM CCCCCCNC(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825272136 1443340812 /nfs/dbraw/zinc/34/08/12/1443340812.db2.gz WCIHNUOGOSTIMN-LCYFTJDESA-N -1 1 342.378 2.609 20 50 EFGDMM Cc1cccc2cc(C(=O)NNc3ccc(-c4nnn[n-]4)cc3)oc21 ZINC000826305056 1443595397 /nfs/dbraw/zinc/59/53/97/1443595397.db2.gz IXQOXQFVHVOBMQ-UHFFFAOYSA-N -1 1 334.339 2.678 20 50 EFGDMM COCc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826164357 1443722127 /nfs/dbraw/zinc/72/21/27/1443722127.db2.gz TYMCADRDKNXNNO-MFOYZWKCSA-N -1 1 345.362 2.803 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1cccc(C#N)c1 ZINC000826378985 1444030890 /nfs/dbraw/zinc/03/08/90/1444030890.db2.gz GJSJWKURXKWGJP-GHXNOFRVSA-N -1 1 332.348 2.590 20 50 EFGDMM Cc1cccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822323994 1446500816 /nfs/dbraw/zinc/50/08/16/1446500816.db2.gz RTHYMYFKRBBEHF-FLIBITNWSA-N -1 1 336.380 2.782 20 50 EFGDMM O=C(Cc1cccc2ccccc21)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826423257 1446608314 /nfs/dbraw/zinc/60/83/14/1446608314.db2.gz GGAFDLBOWHEFTF-UHFFFAOYSA-N -1 1 344.378 2.706 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(C#N)c1 ZINC000826379264 1446829543 /nfs/dbraw/zinc/82/95/43/1446829543.db2.gz NMEJNTGUJKSKQU-PXNMLYILSA-N -1 1 326.319 2.528 20 50 EFGDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNc1cccc2c1CCCC2 ZINC000826249390 1446925204 /nfs/dbraw/zinc/92/52/04/1446925204.db2.gz ABXJFKJKFIFRPJ-UHFFFAOYSA-N -1 1 348.410 2.811 20 50 EFGDMM C[C@H](CC(=O)NNc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000824385284 1446969814 /nfs/dbraw/zinc/96/98/14/1446969814.db2.gz PMTZNWXBTILURE-GFCCVEGCSA-N -1 1 328.420 2.916 20 50 EFGDMM Cc1ccc2[nH]c(C(=O)NNc3cccc(-c4nnn[n-]4)c3)cc2c1C ZINC000826293178 1446981327 /nfs/dbraw/zinc/98/13/27/1446981327.db2.gz DTBHLDGRXANSSV-UHFFFAOYSA-N -1 1 347.382 2.722 20 50 EFGDMM C[C@@]1(C(=O)NNc2ccc(-c3nnn[n-]3)cc2)CCc2ccccc2C1 ZINC000824784395 1447001151 /nfs/dbraw/zinc/00/11/51/1447001151.db2.gz SALNQMVDFOWEAP-LJQANCHMSA-N -1 1 348.410 2.505 20 50 EFGDMM CC(C)=C[C@@H]1[C@@H](C(=O)NNc2ccc(-c3nnn[n-]3)cc2)C1(C)C ZINC000824176895 1447028554 /nfs/dbraw/zinc/02/85/54/1447028554.db2.gz CDYNSUCPMRVPLB-KGLIPLIRSA-N -1 1 326.404 2.548 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000826446702 1447107037 /nfs/dbraw/zinc/10/70/37/1447107037.db2.gz VHFKSJSNJMFWAZ-NWANDNLSSA-N -1 1 340.431 2.916 20 50 EFGDMM C[C@H]1C(=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1c1ccccc1 ZINC000820642323 1447216090 /nfs/dbraw/zinc/21/60/90/1447216090.db2.gz HZWXBRBBZGIUNP-WBMJQRKESA-N -1 1 346.394 2.776 20 50 EFGDMM BrC[C@H]1CCCCN1Cc1cccc(-c2nnn[n-]2)c1 ZINC001139853123 1447289999 /nfs/dbraw/zinc/28/99/99/1447289999.db2.gz GHHKBEHHEVHKCM-CYBMUJFWSA-N -1 1 336.237 2.616 20 50 EFGDMM BrC[C@H]1CCCCN1Cc1cccc(-c2nn[n-]n2)c1 ZINC001139853123 1447289995 /nfs/dbraw/zinc/28/99/95/1447289995.db2.gz GHHKBEHHEVHKCM-CYBMUJFWSA-N -1 1 336.237 2.616 20 50 EFGDMM COc1cccc(C(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826213916 1447312464 /nfs/dbraw/zinc/31/24/64/1447312464.db2.gz RPUUSFDZWCNDOE-NTEUORMPSA-N -1 1 331.335 2.665 20 50 EFGDMM Cc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822242213 1449276864 /nfs/dbraw/zinc/27/68/64/1449276864.db2.gz DVAKUORXJMMRDZ-DHZHZOJOSA-N -1 1 336.380 2.782 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)F)c1 ZINC000826448583 1449564862 /nfs/dbraw/zinc/56/48/62/1449564862.db2.gz BFBARNSIIANQMG-UHFFFAOYSA-N -1 1 330.298 2.561 20 50 EFGDMM O=C(NN=Cc1cc2ccccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000823273665 1450052614 /nfs/dbraw/zinc/05/26/14/1450052614.db2.gz SWYGTJRYBIKEHK-UHFFFAOYSA-N -1 1 348.391 2.845 20 50 EFGDMM N#CC(=Cc1cccc(C#N)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379013 1450141028 /nfs/dbraw/zinc/14/10/28/1450141028.db2.gz HCNWWPZKUTULQT-LZYBPNLTSA-N -1 1 326.319 2.528 20 50 EFGDMM CCC[C@H]1CCCC[C@@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000736436201 1450360573 /nfs/dbraw/zinc/36/05/73/1450360573.db2.gz PJQOOCQESFDWIZ-WFASDCNBSA-N -1 1 343.435 2.852 20 50 EFGDMM CC(=NNC(=O)c1ccc(O)c(Cl)c1)c1cc(C(=O)[O-])cs1 ZINC000814849979 978892146 /nfs/dbraw/zinc/89/21/46/978892146.db2.gz SAJONKCYWGIGQP-UHFFFAOYSA-N -1 1 338.772 2.959 20 50 EFGDMM COc1ccc(=NNC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)[nH]c1 ZINC001599597006 993761145 /nfs/dbraw/zinc/76/11/45/993761145.db2.gz FUTJMPCVZVMREJ-UHFFFAOYSA-N -1 1 330.344 2.554 20 50 EFGDMM CC(=Cc1ccc(C)cc1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000823943112 1428005820 /nfs/dbraw/zinc/00/58/20/1428005820.db2.gz NNWUXEMQKSNCQE-JLHYYAGUSA-N -1 1 334.383 2.722 20 50 EFGDMM CC(C)(C)SCCCC(=O)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000824123875 1429130689 /nfs/dbraw/zinc/13/06/89/1429130689.db2.gz KYIGEIAPMBMKEM-UHFFFAOYSA-N -1 1 334.449 2.622 20 50 EFGDMM CC(C)(C)[C@H](Br)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000274328527 1423726624 /nfs/dbraw/zinc/72/66/24/1423726624.db2.gz QIUKRJZPHZRBAM-SNVBAGLBSA-N -1 1 338.209 2.615 20 50 EFGDMM Cc1cccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)o2)c1C ZINC000822324194 1424049373 /nfs/dbraw/zinc/04/93/73/1424049373.db2.gz XLAWEMNCOMDKJZ-WQLSENKSSA-N -1 1 334.339 2.622 20 50 EFGDMM Cc1ccc2c(CC(=O)NNc3ccc(-c4nnn[n-]4)cc3)coc2c1 ZINC000826293153 1429696790 /nfs/dbraw/zinc/69/67/90/1429696790.db2.gz CQUGSOPVBPHBOQ-UHFFFAOYSA-N -1 1 348.366 2.607 20 50 EFGDMM CCSc1cccc(C(=O)NNc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825674703 1424547713 /nfs/dbraw/zinc/54/77/13/1424547713.db2.gz QSUASGJBKGEEIH-UHFFFAOYSA-N -1 1 340.412 2.736 20 50 EFGDMM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cc(C)sc1C ZINC000735449476 1424616654 /nfs/dbraw/zinc/61/66/54/1424616654.db2.gz ZGQIJULXKJYRKR-UHFFFAOYSA-N -1 1 340.412 2.699 20 50 EFGDMM C[C@@H]1CCCC[C@@H]1NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)cs1 ZINC000820703739 1424872480 /nfs/dbraw/zinc/87/24/80/1424872480.db2.gz JXYITTZTPJPBRX-SNBHFIRGSA-N -1 1 342.428 2.530 20 50 EFGDMM O=C(CCCC[C@@H]1CCSS1)N1CCC(c2nnn[n-]2)CC1 ZINC000913742099 1424949178 /nfs/dbraw/zinc/94/91/78/1424949178.db2.gz HDGXISPAKXSGFH-GFCCVEGCSA-N -1 1 341.506 2.620 20 50 EFGDMM C[C@@H](C=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)CCc1ccccc1 ZINC000820220238 1424952685 /nfs/dbraw/zinc/95/26/85/1424952685.db2.gz PFCXDVNKIXCCFE-CQSZACIVSA-N -1 1 348.410 2.851 20 50 EFGDMM CN(C(=O)C(C#N)=Cc1ccccc1-c1nnn[n-]1)C1CCCCC1 ZINC000825812018 1425102079 /nfs/dbraw/zinc/10/20/79/1425102079.db2.gz FXSULGNAHWRTSH-KAMYIIQDSA-N -1 1 336.399 2.565 20 50 EFGDMM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1ccc(F)cc1 ZINC000826379620 1425897620 /nfs/dbraw/zinc/89/76/20/1425897620.db2.gz XDHFYERPCKRISN-KPKJPENVSA-N -1 1 337.289 2.935 20 50 EFGDMM C[C@H]1CCC[C@H](CCNC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736247337 1426061629 /nfs/dbraw/zinc/06/16/29/1426061629.db2.gz BQHKROGLLJBQPJ-QWHCGFSZSA-N -1 1 343.435 2.709 20 50 EFGDMM COc1ccsc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826221566 1426566497 /nfs/dbraw/zinc/56/64/97/1426566497.db2.gz KXZNGQZEGRZLAJ-WQLSENKSSA-N -1 1 337.364 2.727 20 50 EFGDMM Cc1cccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822324314 1426578955 /nfs/dbraw/zinc/57/89/55/1426578955.db2.gz ZSNGFCHSLZEUFX-RIYZIHGNSA-N -1 1 348.341 2.860 20 50 EFGDMM CCC[C@@H]1CCCC[C@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000736436195 1426597358 /nfs/dbraw/zinc/59/73/58/1426597358.db2.gz PJQOOCQESFDWIZ-IUODEOHRSA-N -1 1 343.435 2.852 20 50 EFGDMM CCC[C@@H]1CCCC[C@@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000736436192 1426792316 /nfs/dbraw/zinc/79/23/16/1426792316.db2.gz PJQOOCQESFDWIZ-DOMZBBRYSA-N -1 1 343.435 2.852 20 50 EFGDMM Cc1ccccc1C(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000737414730 1426983477 /nfs/dbraw/zinc/98/34/77/1426983477.db2.gz CCXPYIILWNHXJC-UHFFFAOYSA-N -1 1 346.394 2.719 20 50 EFGDMM COc1ccc(C)cc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826190409 1427211827 /nfs/dbraw/zinc/21/18/27/1427211827.db2.gz ZZRWWNJXLZZJKP-YBEGLDIGSA-N -1 1 345.362 2.974 20 50 EFGDMM CC[C@@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000736365164 1427311188 /nfs/dbraw/zinc/31/11/88/1427311188.db2.gz VKFYIVZYKQTRCL-OAHLLOKOSA-N -1 1 343.435 2.852 20 50 EFGDMM CC(C)c1ccc(CC=NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824348002 1427411908 /nfs/dbraw/zinc/41/19/08/1427411908.db2.gz WKSCVNCMSSJHIC-UHFFFAOYSA-N -1 1 348.410 2.948 20 50 EFGDMM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)[C@@H]2CCCC(C)(C)C2)o1 ZINC000824352556 1427661807 /nfs/dbraw/zinc/66/18/07/1427661807.db2.gz IHWZGFKENXUDPH-SNVBAGLBSA-N -1 1 347.423 2.638 20 50 EFGDMM CSc1ccc(C)c(C(=O)NNc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826230558 1428040797 /nfs/dbraw/zinc/04/07/97/1428040797.db2.gz YZPNYEJUWUBURQ-UHFFFAOYSA-N -1 1 340.412 2.654 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)c1c(Cl)cccc1Cl ZINC000826446374 1428136608 /nfs/dbraw/zinc/13/66/08/1428136608.db2.gz JEDMPEUURWCXMH-UHFFFAOYSA-N -1 1 349.181 2.930 20 50 EFGDMM O=C(CCC=Cc1ccccc1)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826405865 1429869745 /nfs/dbraw/zinc/86/97/45/1429869745.db2.gz WZKVWXUMGZRGAD-YWEYNIOJSA-N -1 1 334.383 2.803 20 50 EFGDMM C[C@@H]1CCC[C@H](CC(=O)NNc2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC000824925145 1430050822 /nfs/dbraw/zinc/05/08/22/1430050822.db2.gz AWPKVAKNIKHJOH-ZJUUUORDSA-N -1 1 349.826 2.575 20 50 EFGDMM Cc1ccccc1NC(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826307447 1441497897 /nfs/dbraw/zinc/49/78/97/1441497897.db2.gz IOXOCCWUGZHGSB-JYRVWZFOSA-N -1 1 348.341 2.860 20 50 EFGDMM Cc1cccc2cc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)oc21 ZINC000826305027 1441704234 /nfs/dbraw/zinc/70/42/34/1441704234.db2.gz HNCWQTPEXYGHDK-UHFFFAOYSA-N -1 1 334.339 2.678 20 50 EFGDMM CCC[C@H](C)C(=O)C(C#N)=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000736420345 1441788748 /nfs/dbraw/zinc/78/87/48/1441788748.db2.gz RXYHMTBUCROTFP-LFTLCWSBSA-N -1 1 325.372 2.788 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000826448062 1442034286 /nfs/dbraw/zinc/03/42/86/1442034286.db2.gz GMLNVSUEPSIIFJ-UMVBOHGHSA-N -1 1 340.431 2.916 20 50 EFGDMM CCCC[C@@H](CCC)NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000821042765 1442087584 /nfs/dbraw/zinc/08/75/84/1442087584.db2.gz HQRSIHIPWVTFHV-CYBMUJFWSA-N -1 1 331.424 2.852 20 50 EFGDMM O=C(CCc1ccc(Cl)cc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826408382 1442117260 /nfs/dbraw/zinc/11/72/60/1442117260.db2.gz CXOXMUFQYYGIKT-UHFFFAOYSA-N -1 1 342.790 2.596 20 50 EFGDMM O=C(NNc1cccc2cnccc21)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738137493 1442360168 /nfs/dbraw/zinc/36/01/68/1442360168.db2.gz OOLJCYJODXBKJD-UHFFFAOYSA-N -1 1 346.354 2.564 20 50 EFGDMM C[C@H]1CCC[C@H](CC(=O)NNc2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC000824925140 1443281047 /nfs/dbraw/zinc/28/10/47/1443281047.db2.gz AWPKVAKNIKHJOH-UWVGGRQHSA-N -1 1 349.826 2.575 20 50 EFGDMM CC(C)[C@H]1CCCCC1=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820039134 1443320342 /nfs/dbraw/zinc/32/03/42/1443320342.db2.gz WAMLNCSRSQZOPG-CQSZACIVSA-N -1 1 326.404 2.799 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1ccsc1 ZINC000822795841 1443456651 /nfs/dbraw/zinc/45/66/51/1443456651.db2.gz IETPXHOTKXOHBW-XGICHPGQSA-N -1 1 325.328 2.857 20 50 EFGDMM CC(C)(C)c1ccc(C(=O)NNc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824136239 1443562874 /nfs/dbraw/zinc/56/28/74/1443562874.db2.gz NNXZOXUGAGTMCA-UHFFFAOYSA-N -1 1 336.399 2.921 20 50 EFGDMM C=CCn1c(C)cc(C(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)o2)c1C ZINC000819759507 1443584881 /nfs/dbraw/zinc/58/48/81/1443584881.db2.gz YCHMQFCWIIVZIX-LCYFTJDESA-N -1 1 348.366 2.854 20 50 EFGDMM C[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000824039878 1443770139 /nfs/dbraw/zinc/77/01/39/1443770139.db2.gz IYINURBFXLHUEP-QMMMGPOBSA-N -1 1 348.819 2.828 20 50 EFGDMM CC(C)(C)[C@H](Br)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000913357944 1443819219 /nfs/dbraw/zinc/81/92/19/1443819219.db2.gz QYHXMGANKFRHRF-SNVBAGLBSA-N -1 1 338.209 2.615 20 50 EFGDMM CC[C@H](C(=O)NN=Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736312062 1444035120 /nfs/dbraw/zinc/03/51/20/1444035120.db2.gz FBNRFBARYAHDJG-INIZCTEOSA-N -1 1 334.383 2.511 20 50 EFGDMM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccccc1F ZINC000826379325 1446254951 /nfs/dbraw/zinc/25/49/51/1446254951.db2.gz OTKJNTKTPRPYJI-XFXZXTDPSA-N -1 1 334.314 2.551 20 50 EFGDMM CCCCCCNC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821056456 1446265779 /nfs/dbraw/zinc/26/57/79/1446265779.db2.gz RVVJNRQUUBLIEZ-PKNBQFBNSA-N -1 1 330.417 2.532 20 50 EFGDMM C[C@@H](CC(=O)NNc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000824385285 1447151937 /nfs/dbraw/zinc/15/19/37/1447151937.db2.gz PMTZNWXBTILURE-LBPRGKRZSA-N -1 1 328.420 2.916 20 50 EFGDMM CC[C@@H](C(=O)NN=C(C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736311967 1447333233 /nfs/dbraw/zinc/33/32/33/1447333233.db2.gz CZIFOVIWTRMYSU-QGZVFWFLSA-N -1 1 348.410 2.901 20 50 EFGDMM O=C(CCc1ccc(Cl)s1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826408606 1449371812 /nfs/dbraw/zinc/37/18/12/1449371812.db2.gz NXZLCDBVFOFGCY-UHFFFAOYSA-N -1 1 348.819 2.658 20 50 EFGDMM Cc1cc(C)cc(C2(C(=O)NNc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826264147 1449496698 /nfs/dbraw/zinc/49/66/98/1449496698.db2.gz DMXLBAVCZCATDH-UHFFFAOYSA-N -1 1 348.410 2.658 20 50 EFGDMM Cc1cccc(NC(=O)NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826299577 1449561792 /nfs/dbraw/zinc/56/17/92/1449561792.db2.gz LNMIHJSPVGKROA-UHFFFAOYSA-N -1 1 343.778 2.977 20 50 EFGDMM COc1cccc(C(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000826213859 1449586304 /nfs/dbraw/zinc/58/63/04/1449586304.db2.gz PGHCBIIUZIWGJV-QPEQYQDCSA-N -1 1 349.325 2.804 20 50 EFGDMM COc1cc(C(C#N)=Cc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000826177694 1449611814 /nfs/dbraw/zinc/61/18/14/1449611814.db2.gz RGFMTVAFHNLGJU-RIYZIHGNSA-N -1 1 348.322 2.848 20 50 EFGDMM CC[C@@H](C(=O)NN=C(C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736311658 1449968250 /nfs/dbraw/zinc/96/82/50/1449968250.db2.gz CALCVTUKFDFCCE-QGZVFWFLSA-N -1 1 348.410 2.901 20 50 EFGDMM O=C(CCCC1CCCC1)NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826405961 1449976557 /nfs/dbraw/zinc/97/65/57/1449976557.db2.gz AWKUMADQYQBHQN-UHFFFAOYSA-N -1 1 349.826 2.719 20 50 EFGDMM C[C@H]1CCCC[C@@H]1CC(=O)NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824936623 1450039160 /nfs/dbraw/zinc/03/91/60/1450039160.db2.gz KKTLAVYQTRZKOE-VHSXEESVSA-N -1 1 349.826 2.575 20 50 EFGDMM CC(=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cc(C)cc(C)c1 ZINC000735449494 1450090669 /nfs/dbraw/zinc/09/06/69/1450090669.db2.gz ZVZSGDPADDHFBI-UHFFFAOYSA-N -1 1 334.383 2.638 20 50 EFGDMM Cc1cc[nH]c2nc(C(C#N)=Cc3ccc(F)c(-c4nnn[n-]4)c3)nc1-2 ZINC000826315000 1450177451 /nfs/dbraw/zinc/17/74/51/1450177451.db2.gz VPRGGVDIWIASKK-IZZDOVSWSA-N -1 1 346.329 2.650 20 50 EFGDMM O=C(C=Cc1ccc(Cl)s1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826401144 1450246301 /nfs/dbraw/zinc/24/63/01/1450246301.db2.gz QOHKKEWNERULRO-ALCCZGGFSA-N -1 1 346.803 2.738 20 50 EFGDMM C[C@H]1C[C@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000824864974 1450257072 /nfs/dbraw/zinc/25/70/72/1450257072.db2.gz GLBBYDYBZQPLQI-AAEUAGOBSA-N -1 1 328.420 2.772 20 50 EFGDMM O=C(NN=Cc1ccccc1-c1nnn[n-]1)c1cccc2ccccc21 ZINC000826444417 1450376122 /nfs/dbraw/zinc/37/61/22/1450376122.db2.gz FNVKVDUDJMYCFT-UHFFFAOYSA-N -1 1 342.362 2.784 20 50 EFGDMM O=C(NNc1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826447692 1450382842 /nfs/dbraw/zinc/38/28/42/1450382842.db2.gz RWCFPOXLPPXTOA-UHFFFAOYSA-N -1 1 347.741 2.808 20 50 EFGDMM N#CC(=Cc1ccccc1C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379655 1450476267 /nfs/dbraw/zinc/47/62/67/1450476267.db2.gz YFUJUPZMMPUJCG-PXNMLYILSA-N -1 1 326.319 2.528 20 50 EFGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)c1ccccc1F ZINC000822796299 946181701 /nfs/dbraw/zinc/18/17/01/946181701.db2.gz PKWRMMQVJANUKK-VQHVLOKHSA-N -1 1 325.328 2.857 20 50 EFGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)Nc1ccc(F)cc1 ZINC000822796453 946184713 /nfs/dbraw/zinc/18/47/13/946184713.db2.gz RMSXUZBFHDQLJE-CLFYSBASSA-N -1 1 340.343 2.613 20 50 EFGDMM Cc1ccc(CC(=O)NNc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826286396 1428221865 /nfs/dbraw/zinc/22/18/65/1428221865.db2.gz AKFRDQBPWGDXTM-UHFFFAOYSA-N -1 1 342.790 2.514 20 50 EFGDMM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000735449023 1428937353 /nfs/dbraw/zinc/93/73/53/1428937353.db2.gz UQPWASWXWPIHJS-UHFFFAOYSA-N -1 1 340.774 2.674 20 50 EFGDMM CC[C@H](CC1CCCC1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825115144 1428982402 /nfs/dbraw/zinc/98/24/02/1428982402.db2.gz UUIHKSVIYWZJRL-CYBMUJFWSA-N -1 1 328.420 2.916 20 50 EFGDMM COc1ccc(C=C(C#N)C(=O)C2CCCCC2)cc1-c1nnn[n-]1 ZINC000821786822 1429325655 /nfs/dbraw/zinc/32/56/55/1429325655.db2.gz KFPBUBDJUWAGOR-NTEUORMPSA-N -1 1 337.383 2.932 20 50 EFGDMM CN(C(=O)C(C#N)=Cc1ccccc1-c1nnn[n-]1)C1CCCCC1 ZINC000825812019 1429437107 /nfs/dbraw/zinc/43/71/07/1429437107.db2.gz FXSULGNAHWRTSH-SDNWHVSQSA-N -1 1 336.399 2.565 20 50 EFGDMM CC(C)(C)[C@@H](Br)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000274328525 1423277920 /nfs/dbraw/zinc/27/79/20/1423277920.db2.gz QIUKRJZPHZRBAM-JTQLQIEISA-N -1 1 338.209 2.615 20 50 EFGDMM O=C(NN=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2ccccc2c1 ZINC000738128495 1423593399 /nfs/dbraw/zinc/59/33/99/1423593399.db2.gz DMYRKIOWIMRKCS-UHFFFAOYSA-N -1 1 342.362 2.784 20 50 EFGDMM COc1cc(C(C#N)=Cc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826177398 1423727734 /nfs/dbraw/zinc/72/77/34/1423727734.db2.gz GTJZBNSCQCFKQH-JYRVWZFOSA-N -1 1 348.322 2.848 20 50 EFGDMM CC(C)c1ccc(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735923531 1424830539 /nfs/dbraw/zinc/83/05/39/1424830539.db2.gz LVVNUVFQMNMJDG-UHFFFAOYSA-N -1 1 334.383 2.754 20 50 EFGDMM Cc1ccccc1C(C)(C)C(=O)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826305922 1424885360 /nfs/dbraw/zinc/88/53/60/1424885360.db2.gz LWXZLHJGDQRQBY-UHFFFAOYSA-N -1 1 336.399 2.596 20 50 EFGDMM Cc1cc(C)c(NNC(=O)c2cc(-c3nn[n-]n3)cs2)c(C)c1 ZINC000822193962 1424944683 /nfs/dbraw/zinc/94/46/83/1424944683.db2.gz BNABDAPISSIOHI-UHFFFAOYSA-N -1 1 328.401 2.610 20 50 EFGDMM CCC(Cc1ccccc1)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736350432 1425612750 /nfs/dbraw/zinc/61/27/50/1425612750.db2.gz AJIMWFZZHBNLQY-UHFFFAOYSA-N -1 1 334.383 2.605 20 50 EFGDMM C[C@@H]1CCCC[C@@H]1NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000820703753 1426176655 /nfs/dbraw/zinc/17/66/55/1426176655.db2.gz JZFPONRUFDOLPA-PFVNGKLPSA-N -1 1 342.428 2.530 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)ccc1Cl ZINC000826446889 1426210284 /nfs/dbraw/zinc/21/02/84/1426210284.db2.gz CRCZRTMMUHQHEP-UHFFFAOYSA-N -1 1 349.181 2.930 20 50 EFGDMM Cc1cc2[nH]c(C(=O)NNc3ccc(-c4nnn[n-]4)cc3)cc2c(C)c1 ZINC000826263985 1426857126 /nfs/dbraw/zinc/85/71/26/1426857126.db2.gz YELODTKZRDHQKG-UHFFFAOYSA-N -1 1 347.382 2.722 20 50 EFGDMM CC(C)=C[C@H]1[C@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)C1(C)C ZINC000824178485 1426892385 /nfs/dbraw/zinc/89/23/85/1426892385.db2.gz UNMIRVKJUNHTQQ-UONOGXRCSA-N -1 1 326.404 2.548 20 50 EFGDMM CCCC[C@H](CCC)NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000821042766 1427305640 /nfs/dbraw/zinc/30/56/40/1427305640.db2.gz HQRSIHIPWVTFHV-ZDUSSCGKSA-N -1 1 331.424 2.852 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccccc1 ZINC000822795460 1427591314 /nfs/dbraw/zinc/59/13/14/1427591314.db2.gz BDVHFPWCDRSNTA-JYRVWZFOSA-N -1 1 334.314 2.551 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)c1ccccc1C(F)(F)F ZINC000826447177 1427610952 /nfs/dbraw/zinc/61/09/52/1427610952.db2.gz RMYKMJKWQPTOPZ-UHFFFAOYSA-N -1 1 348.288 2.642 20 50 EFGDMM COc1ccccc1C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821882676 1427653021 /nfs/dbraw/zinc/65/30/21/1427653021.db2.gz HXEBEUKRQKFACY-CSKARUKUSA-N -1 1 337.364 2.727 20 50 EFGDMM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1ccccc1F ZINC000826379556 1427826332 /nfs/dbraw/zinc/82/63/32/1427826332.db2.gz VMHLAOSWNBTYQP-XFFZJAGNSA-N -1 1 337.289 2.935 20 50 EFGDMM O=C(CC=Cc1ccc(F)cc1)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826404780 1427867956 /nfs/dbraw/zinc/86/79/56/1427867956.db2.gz LIKZMQWKGVYITG-OWOJBTEDSA-N -1 1 338.346 2.552 20 50 EFGDMM CC(C)[C@H]1CC[C@H](C(=O)NNc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824342589 1428018605 /nfs/dbraw/zinc/01/86/05/1428018605.db2.gz QJVILHJBEMTREQ-MQMHXKEQSA-N -1 1 328.420 2.772 20 50 EFGDMM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000826259874 1428090174 /nfs/dbraw/zinc/09/01/74/1428090174.db2.gz KMKZKAFQFHEGPS-UHFFFAOYSA-N -1 1 328.763 2.585 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000826446701 1428160200 /nfs/dbraw/zinc/16/02/00/1428160200.db2.gz VHFKSJSNJMFWAZ-BPLDGKMQSA-N -1 1 340.431 2.916 20 50 EFGDMM CCCCCCNC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821056454 1430222974 /nfs/dbraw/zinc/22/29/74/1430222974.db2.gz RVVJNRQUUBLIEZ-LUAWRHEFSA-N -1 1 330.417 2.532 20 50 EFGDMM CCC[C@H](C)C(=O)C(C#N)=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000736420346 1441540780 /nfs/dbraw/zinc/54/07/80/1441540780.db2.gz RXYHMTBUCROTFP-ZWSXMNCCSA-N -1 1 325.372 2.788 20 50 EFGDMM CC[C@H](CC1CCCC1)C(=O)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000825113763 1441616971 /nfs/dbraw/zinc/61/69/71/1441616971.db2.gz FTTLFRXZJALGOA-CYBMUJFWSA-N -1 1 328.420 2.916 20 50 EFGDMM Cc1ccc(NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822242501 1441640368 /nfs/dbraw/zinc/64/03/68/1441640368.db2.gz MYSMKKMXPYLSBK-IZZDOVSWSA-N -1 1 336.380 2.782 20 50 EFGDMM CC(=CC(=O)NNc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000823944010 1442158008 /nfs/dbraw/zinc/15/80/08/1442158008.db2.gz WUYFMILCBIDKDT-PKNBQFBNSA-N -1 1 338.346 2.552 20 50 EFGDMM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)[C@H]2CCCC(C)(C)C2)o1 ZINC000824352555 1442411916 /nfs/dbraw/zinc/41/19/16/1442411916.db2.gz IHWZGFKENXUDPH-JTQLQIEISA-N -1 1 347.423 2.638 20 50 EFGDMM N#CC(C(=O)c1cccc(-c2nnn[n-]2)c1)=C1COc2ccc(F)cc21 ZINC000826379612 1442453818 /nfs/dbraw/zinc/45/38/18/1442453818.db2.gz WYXGHCHWBBILRE-PFONDFGASA-N -1 1 347.309 2.558 20 50 EFGDMM Cc1ccc(CCCC(=O)NNc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826287395 1442456603 /nfs/dbraw/zinc/45/66/03/1442456603.db2.gz NHWCOGPPRRWTIG-UHFFFAOYSA-N -1 1 336.399 2.641 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)F)c1 ZINC000826447089 1443077035 /nfs/dbraw/zinc/07/70/35/1443077035.db2.gz MFCRCTVRLJGACF-UHFFFAOYSA-N -1 1 330.298 2.561 20 50 EFGDMM CCC[C@@H](C)C(=O)C(C#N)=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000736420343 1443136573 /nfs/dbraw/zinc/13/65/73/1443136573.db2.gz RXYHMTBUCROTFP-JYVXZMADSA-N -1 1 325.372 2.788 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cccc(Cl)c1F ZINC000826447879 1443203594 /nfs/dbraw/zinc/20/35/94/1443203594.db2.gz AAPCKEFTMHXODX-UHFFFAOYSA-N -1 1 347.741 2.808 20 50 EFGDMM CC[C@@H](Cc1ccccc1)C(=O)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000825128587 1443254575 /nfs/dbraw/zinc/25/45/75/1443254575.db2.gz VYQYWVJFOQQYBC-AWEZNQCLSA-N -1 1 336.399 2.579 20 50 EFGDMM C[C@@H](C(=O)NNc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC000824040376 1443351477 /nfs/dbraw/zinc/35/14/77/1443351477.db2.gz OSEVOFLEVLLBRP-MRVPVSSYSA-N -1 1 348.819 2.828 20 50 EFGDMM C[C@@H](C=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000824385057 1443457019 /nfs/dbraw/zinc/45/70/19/1443457019.db2.gz KOMAFGPJMMXFOW-NSHDSACASA-N -1 1 338.346 2.525 20 50 EFGDMM O=C(CC=Cc1cccc(F)c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826405041 1443639314 /nfs/dbraw/zinc/63/93/14/1443639314.db2.gz UDSILHNUVXOSQG-GORDUTHDSA-N -1 1 338.346 2.552 20 50 EFGDMM Cc1ccsc1CCCC(=O)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826316448 1443660637 /nfs/dbraw/zinc/66/06/37/1443660637.db2.gz ONNWZJOGDSIDNE-UHFFFAOYSA-N -1 1 342.428 2.703 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccccc2)[nH]1 ZINC000826447162 1443688555 /nfs/dbraw/zinc/68/85/55/1443688555.db2.gz QRXFBQVXVSZZEZ-UHFFFAOYSA-N -1 1 345.366 2.619 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)c1cc2c(s1)CCCC2 ZINC000826447060 1446461463 /nfs/dbraw/zinc/46/14/63/1446461463.db2.gz LIAZPHQUWQBFOB-UHFFFAOYSA-N -1 1 340.412 2.564 20 50 EFGDMM O=C(C=Cc1ccc2[nH]ccc2c1)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826400802 1447145810 /nfs/dbraw/zinc/14/58/10/1447145810.db2.gz IQULUENASRXAFE-KRXBUXKQSA-N -1 1 345.366 2.505 20 50 EFGDMM COc1cccc(C(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821854713 1449374005 /nfs/dbraw/zinc/37/40/05/1449374005.db2.gz SJMVZVMQOKKACV-AUWJEWJLSA-N -1 1 349.325 2.804 20 50 EFGDMM CCC[C@@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825225773 1449601782 /nfs/dbraw/zinc/60/17/82/1449601782.db2.gz XJIWLDODZOTDDN-MRXNPFEDSA-N -1 1 336.399 2.894 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc2cccc(F)c2o1 ZINC000826448647 1449731249 /nfs/dbraw/zinc/73/12/49/1449731249.db2.gz FCYOEDCBNOOWDB-UHFFFAOYSA-N -1 1 338.302 2.509 20 50 EFGDMM N#CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379680 1449845031 /nfs/dbraw/zinc/84/50/31/1449845031.db2.gz YOPNZPPKFDEPLC-RIYZIHGNSA-N -1 1 346.306 2.565 20 50 EFGDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNc1cccc(Cl)c1C ZINC000826249832 1449943306 /nfs/dbraw/zinc/94/33/06/1449943306.db2.gz XFHKFBIPSUAIIQ-UHFFFAOYSA-N -1 1 342.790 2.894 20 50 EFGDMM Cc1cccc(C(=O)NNc2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC000826296466 1450025849 /nfs/dbraw/zinc/02/58/49/1450025849.db2.gz YDGAZVSSRPWNNH-UHFFFAOYSA-N -1 1 328.763 2.585 20 50 EFGDMM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)[C@H](C)c1ccccc1 ZINC000819772797 1450404117 /nfs/dbraw/zinc/40/41/17/1450404117.db2.gz LTQHQNSYVMPPET-LBPRGKRZSA-N -1 1 334.383 2.776 20 50 EFGDMM CCCN(NC(=O)c1oc(C(=O)[O-])cc1C)C(=O)OC(C)(C)C ZINC001595894550 982930150 /nfs/dbraw/zinc/93/01/50/982930150.db2.gz KHDMSDKCRMAAED-UHFFFAOYSA-N -1 1 326.349 2.578 20 50 EFGDMM CCN(CC)Cc1ccc(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)o1 ZINC001596275595 983694457 /nfs/dbraw/zinc/69/44/57/983694457.db2.gz MICSMUSYVUYVJF-UHFFFAOYSA-N -1 1 349.362 2.716 20 50 EFGDMM C=C(CBr)CN(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001588606324 983697215 /nfs/dbraw/zinc/69/72/15/983697215.db2.gz WSUIZFBJDWQTII-UHFFFAOYSA-N -1 1 334.160 2.803 20 50 EFGDMM O=C(CCC=Cc1ccccc1)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826405864 1427513681 /nfs/dbraw/zinc/51/36/81/1427513681.db2.gz WZKVWXUMGZRGAD-XBXARRHUSA-N -1 1 334.383 2.803 20 50 EFGDMM O=C(CCCC[C@H]1CCSS1)N1CCC(c2nnn[n-]2)CC1 ZINC000913742100 1428721085 /nfs/dbraw/zinc/72/10/85/1428721085.db2.gz HDGXISPAKXSGFH-LBPRGKRZSA-N -1 1 341.506 2.620 20 50 EFGDMM CC[C@H](C(=O)NN=C(C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736311657 1429018719 /nfs/dbraw/zinc/01/87/19/1429018719.db2.gz CALCVTUKFDFCCE-KRWDZBQOSA-N -1 1 348.410 2.901 20 50 EFGDMM C[C@@H]1CC(C)(C)CCC1=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820649298 1429033853 /nfs/dbraw/zinc/03/38/53/1429033853.db2.gz KGCPUPCIXJLHAU-LLVKDONJSA-N -1 1 326.404 2.799 20 50 EFGDMM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)C2CCCCCCC2)o1 ZINC000735939360 1429176535 /nfs/dbraw/zinc/17/65/35/1429176535.db2.gz NPAQHNLNJJXYGP-UHFFFAOYSA-N -1 1 347.423 2.782 20 50 EFGDMM CC(C)(C)c1ccc(NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824135614 1429252997 /nfs/dbraw/zinc/25/29/97/1429252997.db2.gz HFMNCNHWVRHBEQ-UHFFFAOYSA-N -1 1 336.399 2.921 20 50 EFGDMM CC(CCc1ccc(C)cc1)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735986640 1429322495 /nfs/dbraw/zinc/32/24/95/1429322495.db2.gz OXIOPFBBGAWXIH-UHFFFAOYSA-N -1 1 348.410 2.914 20 50 EFGDMM Cc1c(Cl)cccc1NNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826236932 1429414652 /nfs/dbraw/zinc/41/46/52/1429414652.db2.gz HQYOGHUXNRHXGE-UHFFFAOYSA-N -1 1 342.790 2.514 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)c1c[nH]cc1-c1ccccc1 ZINC000826446769 1429473552 /nfs/dbraw/zinc/47/35/52/1429473552.db2.gz XULQTVGXEFCTJR-UHFFFAOYSA-N -1 1 345.366 2.619 20 50 EFGDMM CC(C)=C[C@H]1[C@H](C(=O)NNc2ccc(-c3nnn[n-]3)cc2)C1(C)C ZINC000824176896 1429501435 /nfs/dbraw/zinc/50/14/35/1429501435.db2.gz CDYNSUCPMRVPLB-UONOGXRCSA-N -1 1 326.404 2.548 20 50 EFGDMM CC(CCCC(C)C)=NNC(=O)COc1ccc(-c2nnn[n-]2)cc1 ZINC000820242745 1429567344 /nfs/dbraw/zinc/56/73/44/1429567344.db2.gz QMDHIJYCRWIAIG-UHFFFAOYSA-N -1 1 344.419 2.564 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)c1cc2cc(F)ccc2o1 ZINC000826446921 1429572388 /nfs/dbraw/zinc/57/23/88/1429572388.db2.gz FKQQNKUMWYUSHZ-UHFFFAOYSA-N -1 1 338.302 2.509 20 50 EFGDMM O=C(NN=C1CCCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000738129109 1429582275 /nfs/dbraw/zinc/58/22/75/1429582275.db2.gz OKPPAHBGJIXPIU-UHFFFAOYSA-N -1 1 346.394 2.727 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)Nc1ccccc1Cl ZINC000826446695 1423670678 /nfs/dbraw/zinc/67/06/78/1423670678.db2.gz VDFOURWBGGSBKH-UHFFFAOYSA-N -1 1 329.751 2.669 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1ccccc1F ZINC000826446602 1424256982 /nfs/dbraw/zinc/25/69/82/1424256982.db2.gz RMMVCDHLGXSNDT-UHFFFAOYSA-N -1 1 347.741 2.808 20 50 EFGDMM O=C(C[C@H]1CCc2ccccc2C1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826405063 1424474557 /nfs/dbraw/zinc/47/45/57/1424474557.db2.gz UXMMEVZOBJWFHM-ZDUSSCGKSA-N -1 1 348.410 2.505 20 50 EFGDMM CC(C)(C)[C@@H](Br)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000272561573 1424597419 /nfs/dbraw/zinc/59/74/19/1424597419.db2.gz ABUVWZRTPLPMPB-JTQLQIEISA-N -1 1 338.209 2.615 20 50 EFGDMM O=C(CCC1CCCCC1)NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737824049 1424674746 /nfs/dbraw/zinc/67/47/46/1424674746.db2.gz NWZZYHHCINWNNN-UHFFFAOYSA-N -1 1 326.404 2.677 20 50 EFGDMM Cc1cccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1Cl ZINC000826299514 1424705407 /nfs/dbraw/zinc/70/54/07/1424705407.db2.gz IUKHAVWGZYLFHR-UHFFFAOYSA-N -1 1 343.778 2.977 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc2c(c1)CCC2 ZINC000826448473 1426525654 /nfs/dbraw/zinc/52/56/54/1426525654.db2.gz XDJJMUYRSVRBGI-UHFFFAOYSA-N -1 1 335.371 2.504 20 50 EFGDMM Cc1ccccc1C1CC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000822350294 1426698795 /nfs/dbraw/zinc/69/87/95/1426698795.db2.gz BVWKYRBCXCBLQU-UHFFFAOYSA-N -1 1 346.394 2.839 20 50 EFGDMM C[C@H]1C[C@@H](C(=O)NNc2ccc(-c3nnn[n-]3)cc2)CC(C)(C)C1 ZINC000824866756 1426754494 /nfs/dbraw/zinc/75/44/94/1426754494.db2.gz NHRLYMTYYHIXGT-WCQYABFASA-N -1 1 328.420 2.772 20 50 EFGDMM Cc1ccsc1CCCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826316613 1426861720 /nfs/dbraw/zinc/86/17/20/1426861720.db2.gz SVEMESRJTZMDPZ-UHFFFAOYSA-N -1 1 342.428 2.703 20 50 EFGDMM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000826190746 1426882383 /nfs/dbraw/zinc/88/23/83/1426882383.db2.gz MEEXWFVVORJQCO-CXUHLZMHSA-N -1 1 345.362 2.974 20 50 EFGDMM CCC(CC)(CC)C(=O)NNc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000820882649 1427310168 /nfs/dbraw/zinc/31/01/68/1427310168.db2.gz WRGBHUXRCCGXBB-UHFFFAOYSA-N -1 1 335.412 2.638 20 50 EFGDMM CC1(C)CCC[C@H](CC(=O)NNc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824802330 1427442717 /nfs/dbraw/zinc/44/27/17/1427442717.db2.gz LVRDEIBPHBUVHJ-GFCCVEGCSA-N -1 1 328.420 2.916 20 50 EFGDMM CC(C)(C)c1ccc(NNC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000824135640 1427471404 /nfs/dbraw/zinc/47/14/04/1427471404.db2.gz IDAKDTYHRRXXKE-UHFFFAOYSA-N -1 1 342.428 2.983 20 50 EFGDMM CC(C)c1ccsc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824352937 1429906662 /nfs/dbraw/zinc/90/66/62/1429906662.db2.gz RPTOPRFQODWTHB-UHFFFAOYSA-N -1 1 328.401 2.809 20 50 EFGDMM Cc1ccc(NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822242502 1429929985 /nfs/dbraw/zinc/92/99/85/1429929985.db2.gz MYSMKKMXPYLSBK-WDZFZDKYSA-N -1 1 336.380 2.782 20 50 EFGDMM N#CC(=Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379287 1430073024 /nfs/dbraw/zinc/07/30/24/1430073024.db2.gz NXDCOTCHCFQVPS-RIYZIHGNSA-N -1 1 346.306 2.565 20 50 EFGDMM COc1ccccc1C(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826217910 1441526985 /nfs/dbraw/zinc/52/69/85/1441526985.db2.gz HUNCCEQNGAORSX-XYOKQWHBSA-N -1 1 349.325 2.804 20 50 EFGDMM COc1ccc(C=C(C#N)c2nc3ccccc3[nH]2)cc1-c1nnn[n-]1 ZINC000737077479 1441615416 /nfs/dbraw/zinc/61/54/16/1441615416.db2.gz UUWPVHUGIDMVPK-XYOKQWHBSA-N -1 1 343.350 2.816 20 50 EFGDMM N#CC(=Cc1ccc(F)c(F)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379658 1441815443 /nfs/dbraw/zinc/81/54/43/1441815443.db2.gz YGFVOVOHQHURRJ-AWNIVKPZSA-N -1 1 337.289 2.935 20 50 EFGDMM O=C(C=Cc1ccc2[nH]ccc2c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826400878 1442147448 /nfs/dbraw/zinc/14/74/48/1442147448.db2.gz KGBJMZYGGLOWIL-ALCCZGGFSA-N -1 1 345.366 2.505 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1Cl ZINC000826448942 1443167251 /nfs/dbraw/zinc/16/72/51/1443167251.db2.gz UIOCVKVMXPRZOS-UHFFFAOYSA-N -1 1 349.181 2.930 20 50 EFGDMM CCC(CC)C(=O)C(C#N)=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000736337583 1443291905 /nfs/dbraw/zinc/29/19/05/1443291905.db2.gz KWFITLMRLYUOGI-MDWZMJQESA-N -1 1 325.372 2.788 20 50 EFGDMM CC1(C)CCC[C@@H](C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824801137 1443408858 /nfs/dbraw/zinc/40/88/58/1443408858.db2.gz BWGARAFLMDLTOH-GFCCVEGCSA-N -1 1 326.404 2.799 20 50 EFGDMM Cn1c2ccccc2nc1C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822596503 1443425706 /nfs/dbraw/zinc/42/57/06/1443425706.db2.gz MWNRPQHGMFUOQZ-NTMALXAHSA-N -1 1 333.380 2.879 20 50 EFGDMM Cc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)o2)c(C)c1 ZINC000822242523 1443479105 /nfs/dbraw/zinc/47/91/05/1443479105.db2.gz NWUCFFXFCMHLEH-WQLSENKSSA-N -1 1 334.339 2.622 20 50 EFGDMM Cc1cc[nH]c2nc(C(C#N)=Cc3cc(-c4nn[n-]n4)cs3)nc1-2 ZINC000822379691 1443805006 /nfs/dbraw/zinc/80/50/06/1443805006.db2.gz SEJGAAKFRMTTBG-WTKPLQERSA-N -1 1 334.368 2.572 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1cccc(C#N)c1 ZINC000826379016 1446087795 /nfs/dbraw/zinc/08/77/95/1446087795.db2.gz HFAQTHHXGPEEBZ-CHHVJCJISA-N -1 1 344.309 2.667 20 50 EFGDMM CCCCCCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)cs1 ZINC000821055565 1446271851 /nfs/dbraw/zinc/27/18/51/1446271851.db2.gz DCUOHOZYSBCPLL-YRNVUSSQSA-N -1 1 330.417 2.532 20 50 EFGDMM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000826378967 1446273624 /nfs/dbraw/zinc/27/36/24/1446273624.db2.gz GACZBHHQILNYPD-KPKJPENVSA-N -1 1 336.286 2.978 20 50 EFGDMM C[C@@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000824385081 1446417118 /nfs/dbraw/zinc/41/71/18/1446417118.db2.gz LJDQCLVBNDMIDX-NSHDSACASA-N -1 1 340.362 2.643 20 50 EFGDMM CC1(C)CCCC[C@H]1CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824802668 1446433237 /nfs/dbraw/zinc/43/32/37/1446433237.db2.gz NXNDQEYVRYIQDS-ZDUSSCGKSA-N -1 1 328.420 2.916 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)c1cc2sccc2s1 ZINC000826447068 1446853403 /nfs/dbraw/zinc/85/34/03/1446853403.db2.gz LNWRSCLZBAIBFX-UHFFFAOYSA-N -1 1 342.409 2.900 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)OC1CCCCC1 ZINC000822795601 1447155021 /nfs/dbraw/zinc/15/50/21/1447155021.db2.gz DADWBWQIUGTYMQ-JYRVWZFOSA-N -1 1 341.346 2.789 20 50 EFGDMM O=C(NN=C(CC1CC1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738129994 1447198256 /nfs/dbraw/zinc/19/82/56/1447198256.db2.gz ZOYXNAMYHAHTNT-UHFFFAOYSA-N -1 1 346.394 2.801 20 50 EFGDMM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cc(C)cc(C)c1 ZINC000735448616 1447202290 /nfs/dbraw/zinc/20/22/90/1447202290.db2.gz STAJZRNVDFRJHV-UHFFFAOYSA-N -1 1 334.383 2.638 20 50 EFGDMM CC(C)C1CCC(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820037288 1449423933 /nfs/dbraw/zinc/42/39/33/1449423933.db2.gz BOVUPXMWHYKWJA-UHFFFAOYSA-N -1 1 343.435 2.708 20 50 EFGDMM O=C(C=Cc1ccccc1Cl)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826402293 1449593999 /nfs/dbraw/zinc/59/39/99/1449593999.db2.gz QILIBILTXYYBGA-YFHOEESVSA-N -1 1 340.774 2.677 20 50 EFGDMM C[C@@]1(C(=O)NNc2cccc(-c3nnn[n-]3)c2)CCCc2ccccc21 ZINC000824783756 1449744693 /nfs/dbraw/zinc/74/46/93/1449744693.db2.gz JUHCKNSIEGBPLN-LJQANCHMSA-N -1 1 348.410 2.604 20 50 EFGDMM C[C@@H]1CC(C)(C)CCC1=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820649598 1450267547 /nfs/dbraw/zinc/26/75/47/1450267547.db2.gz NCVXUAXXOKJIDT-LLVKDONJSA-N -1 1 326.404 2.799 20 50 EFGDMM N#CC(=Cc1ccc(C#N)cc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379127 1450275814 /nfs/dbraw/zinc/27/58/14/1450275814.db2.gz JOKBXYUTKLFTFA-PXNMLYILSA-N -1 1 326.319 2.528 20 50 EFGDMM CCCc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)sc1C ZINC000825348362 1450301547 /nfs/dbraw/zinc/30/15/47/1450301547.db2.gz HJTGRWVLVHNFBB-UHFFFAOYSA-N -1 1 342.428 2.946 20 50 EFGDMM CN(C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000736731834 1450378981 /nfs/dbraw/zinc/37/89/81/1450378981.db2.gz JUUOPPIDEGKHPK-RVDMUPIBSA-N -1 1 336.399 2.565 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)c1c[nH]c2ccccc21 ZINC000822796244 946182626 /nfs/dbraw/zinc/18/26/26/946182626.db2.gz NKDBEVDLCGIXBA-JXMROGBWSA-N -1 1 330.307 2.731 20 50 EFGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)c1c[nH]c2ccccc21 ZINC000822796244 946182638 /nfs/dbraw/zinc/18/26/38/946182638.db2.gz NKDBEVDLCGIXBA-JXMROGBWSA-N -1 1 330.307 2.731 20 50 EFGDMM CCCC(CCC)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825241970 607806595 /nfs/dbraw/zinc/80/65/95/607806595.db2.gz FWKZFDDCUFMTED-UHFFFAOYSA-N -1 1 335.412 2.638 20 50 EFGDMM CC(=NNC(=O)c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823953551 608092199 /nfs/dbraw/zinc/09/21/99/608092199.db2.gz GIXOHJBHXQZFNG-UHFFFAOYSA-N -1 1 346.803 2.736 20 50 EFGDMM BrC[C@@H]1CCCC[N@H+]1Cc1cccc(-c2nnn[n-]2)c1 ZINC001139853124 1425195182 /nfs/dbraw/zinc/19/51/82/1425195182.db2.gz GHHKBEHHEVHKCM-ZDUSSCGKSA-N -1 1 336.237 2.616 20 50 EFGDMM BrC[C@@H]1CCCCN1Cc1cccc(-c2nn[n-]n2)c1 ZINC001139853124 1425195193 /nfs/dbraw/zinc/19/51/93/1425195193.db2.gz GHHKBEHHEVHKCM-ZDUSSCGKSA-N -1 1 336.237 2.616 20 50 EFGDMM BrC[C@@H]1CCCCN1Cc1cccc(-c2nnn[n-]2)c1 ZINC001139853124 1425195200 /nfs/dbraw/zinc/19/52/00/1425195200.db2.gz GHHKBEHHEVHKCM-ZDUSSCGKSA-N -1 1 336.237 2.616 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1csc2c1CCCC2 ZINC000826449151 1426309773 /nfs/dbraw/zinc/30/97/73/1426309773.db2.gz DTFZTVVFACPJTR-UHFFFAOYSA-N -1 1 340.412 2.564 20 50 EFGDMM CC(C)(C)CCCCNC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000735603062 1428968602 /nfs/dbraw/zinc/96/86/02/1428968602.db2.gz WHJMQLGYJQIWQS-UHFFFAOYSA-N -1 1 331.424 2.709 20 50 EFGDMM N#CC(=Cc1ccc(F)cc1F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379335 1429165016 /nfs/dbraw/zinc/16/50/16/1429165016.db2.gz PAGISQONRPJXNI-MLPAPPSSSA-N -1 1 337.289 2.935 20 50 EFGDMM O=C(NN=C(CC1CC1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738128468 1429241281 /nfs/dbraw/zinc/24/12/81/1429241281.db2.gz CPWABBBBQBUKJV-UHFFFAOYSA-N -1 1 346.394 2.801 20 50 EFGDMM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c(Cl)cc1F ZINC000826259956 1423825666 /nfs/dbraw/zinc/82/56/66/1423825666.db2.gz ODBHXYNSHMQIDH-UHFFFAOYSA-N -1 1 346.753 2.725 20 50 EFGDMM Cc1nc(C(C#N)=Cc2cnc3ccc(-c4nnn[n-]4)cn23)sc1C ZINC000737467349 1423861958 /nfs/dbraw/zinc/86/19/58/1423861958.db2.gz BEEFEBAHFTUMSJ-LFYBBSHMSA-N -1 1 348.395 2.652 20 50 EFGDMM CC(C)=C[C@H]1[C@@H](C(=O)NNc2ccc(-c3nnn[n-]3)cc2)C1(C)C ZINC000824176893 1423921783 /nfs/dbraw/zinc/92/17/83/1423921783.db2.gz CDYNSUCPMRVPLB-KBPBESRZSA-N -1 1 326.404 2.548 20 50 EFGDMM N#CC(=Cc1ncc[nH]1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737672936 1424829921 /nfs/dbraw/zinc/82/99/21/1424829921.db2.gz SJAPWIPXHUFBPR-KPKJPENVSA-N -1 1 346.379 2.777 20 50 EFGDMM O=C(NNc1cccc2c1CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000826449460 1424888461 /nfs/dbraw/zinc/88/84/61/1424888461.db2.gz UJIRZZMDMUWZLH-UHFFFAOYSA-N -1 1 334.383 2.502 20 50 EFGDMM N#CC(=Cc1cnc2ccc(-c3nnn[n-]3)cn12)C(=O)C1CCCCC1 ZINC000822795422 1425353690 /nfs/dbraw/zinc/35/36/90/1425353690.db2.gz AFWFHTVGFBCDOI-ZSOIEALJSA-N -1 1 347.382 2.571 20 50 EFGDMM O=C(CCc1ccc(Cl)s1)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826408831 1425560554 /nfs/dbraw/zinc/56/05/54/1425560554.db2.gz WUYBDZGYDWSHRS-UHFFFAOYSA-N -1 1 348.819 2.658 20 50 EFGDMM Cc1cc(Cl)ccc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826267691 1425566423 /nfs/dbraw/zinc/56/64/23/1425566423.db2.gz QKDRHHGEVPWQKV-UHFFFAOYSA-N -1 1 343.778 2.977 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)c1cc2cccc(F)c2o1 ZINC000826447096 1425789161 /nfs/dbraw/zinc/78/91/61/1425789161.db2.gz MTSUWNCHDNKFOE-UHFFFAOYSA-N -1 1 338.302 2.509 20 50 EFGDMM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cc(C)c(C)cc1C ZINC000735447477 1425966863 /nfs/dbraw/zinc/96/68/63/1425966863.db2.gz KLROSBOMNGIBAF-UHFFFAOYSA-N -1 1 348.410 2.946 20 50 EFGDMM Cc1c(Cl)cccc1NNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000826237388 1426165865 /nfs/dbraw/zinc/16/58/65/1426165865.db2.gz XWTWPORZABBSGH-UHFFFAOYSA-N -1 1 334.792 2.647 20 50 EFGDMM CC(C)=C[C@@H]1[C@H](C(=O)NNc2ccc(-c3nnn[n-]3)cc2)C1(C)C ZINC000824176898 1426474037 /nfs/dbraw/zinc/47/40/37/1426474037.db2.gz CDYNSUCPMRVPLB-ZIAGYGMSSA-N -1 1 326.404 2.548 20 50 EFGDMM N#CC(C#N)=CNCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737673253 1426591814 /nfs/dbraw/zinc/59/18/14/1426591814.db2.gz XOTLAFWFBIFCDO-UHFFFAOYSA-N -1 1 333.380 2.616 20 50 EFGDMM CCCc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825348662 1427060392 /nfs/dbraw/zinc/06/03/92/1427060392.db2.gz VGWJNUVBSYXZAH-UHFFFAOYSA-N -1 1 337.387 2.968 20 50 EFGDMM COc1ccc(C=C(C#N)C(=O)c2ccsc2)cc1-c1nnn[n-]1 ZINC000737074467 1427111319 /nfs/dbraw/zinc/11/13/19/1427111319.db2.gz GJHZNHDOMXETIL-SDQBBNPISA-N -1 1 337.364 2.727 20 50 EFGDMM CCc1ccc([C@H](C)C(=O)NNc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825704633 1427713099 /nfs/dbraw/zinc/71/30/99/1427713099.db2.gz LDPXEOGDFCLYEC-LBPRGKRZSA-N -1 1 336.399 2.676 20 50 EFGDMM CC(C)C1CCC(=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735746925 1427917488 /nfs/dbraw/zinc/91/74/88/1427917488.db2.gz MIPODORNYZBDRO-UHFFFAOYSA-N -1 1 326.404 2.799 20 50 EFGDMM CN(N=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12)C(=O)OC(C)(C)C ZINC000821619288 1428034826 /nfs/dbraw/zinc/03/48/26/1428034826.db2.gz PZTRAHUOOANPPB-UHFFFAOYSA-N -1 1 341.375 2.549 20 50 EFGDMM CC(C)(Cc1ccccc1)C(=O)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000824162852 1428137774 /nfs/dbraw/zinc/13/77/74/1428137774.db2.gz RDJMTZLELSAPSA-UHFFFAOYSA-N -1 1 336.399 2.579 20 50 EFGDMM CCCC(=CC(=O)NNc1oc(C(C)C)nc1-c1nnn[n-]1)CCC ZINC000825218519 1428184905 /nfs/dbraw/zinc/18/49/05/1428184905.db2.gz DEBDFAZTGHYRIU-UHFFFAOYSA-N -1 1 347.423 2.948 20 50 EFGDMM C[C@@H]1CCCC[C@H]1NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)cs1 ZINC000820703740 1430051006 /nfs/dbraw/zinc/05/10/06/1430051006.db2.gz JXYITTZTPJPBRX-UUBATVGYSA-N -1 1 342.428 2.530 20 50 EFGDMM Cc1oc2ccccc2c1C=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826342775 1441465432 /nfs/dbraw/zinc/46/54/32/1441465432.db2.gz ZESINKXVXRUQHZ-UHFFFAOYSA-N -1 1 346.350 2.685 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H](c1ccccc1)C1CC1 ZINC000826447406 1441497675 /nfs/dbraw/zinc/49/76/75/1441497675.db2.gz DLVNVZIMJPLEJU-INIZCTEOSA-N -1 1 334.383 2.504 20 50 EFGDMM Cc1ccccc1[C@@H](C)CC(=O)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826306249 1441512653 /nfs/dbraw/zinc/51/26/53/1441512653.db2.gz UKKOVXQVEVYQEG-ZDUSSCGKSA-N -1 1 336.399 2.812 20 50 EFGDMM Cc1c(Cl)cccc1NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826237132 1441680132 /nfs/dbraw/zinc/68/01/32/1441680132.db2.gz PHYQRSHXCQZJMD-UHFFFAOYSA-N -1 1 328.763 2.585 20 50 EFGDMM N#CC(=Cc1ccc(F)cc1F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379334 1442114865 /nfs/dbraw/zinc/11/48/65/1442114865.db2.gz PAGISQONRPJXNI-AWNIVKPZSA-N -1 1 337.289 2.935 20 50 EFGDMM CC(=CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000823942491 1442121881 /nfs/dbraw/zinc/12/18/81/1442121881.db2.gz DAZRZMAHANAQBY-DHZHZOJOSA-N -1 1 338.346 2.552 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1ccc(F)cc1 ZINC000822796078 1442130579 /nfs/dbraw/zinc/13/05/79/1442130579.db2.gz LXSZQZUGBYEJQE-NTUHNPAUSA-N -1 1 337.289 2.935 20 50 EFGDMM CC(C)[C@@H](C)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820017566 1442272646 /nfs/dbraw/zinc/27/26/46/1442272646.db2.gz ZZBLSUHUUFSKEC-MRVPVSSYSA-N -1 1 342.325 2.621 20 50 EFGDMM CCC[C@H]1CCCC[C@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000736436198 1442433242 /nfs/dbraw/zinc/43/32/42/1442433242.db2.gz PJQOOCQESFDWIZ-SWLSCSKDSA-N -1 1 343.435 2.852 20 50 EFGDMM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)CC2(C)CCCCC2)o1 ZINC000824358594 1443132788 /nfs/dbraw/zinc/13/27/88/1443132788.db2.gz NPWNTICLTQYJAL-UHFFFAOYSA-N -1 1 347.423 2.782 20 50 EFGDMM CC1(C(=O)NNc2cc(-c3nnn[n-]3)cc(Cl)n2)CCCCCC1 ZINC000824784214 1443192387 /nfs/dbraw/zinc/19/23/87/1443192387.db2.gz OQRPNZNDRRLCDC-UHFFFAOYSA-N -1 1 349.826 2.719 20 50 EFGDMM COc1ccccc1C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821882436 1443306313 /nfs/dbraw/zinc/30/63/13/1443306313.db2.gz ALVAFTCWSGDFBI-UXBLZVDNSA-N -1 1 337.364 2.727 20 50 EFGDMM CC(C)(CNC(=O)NNc1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000824157479 1443310703 /nfs/dbraw/zinc/31/07/03/1443310703.db2.gz HCVXUKPTXCUMQX-UHFFFAOYSA-N -1 1 343.435 2.709 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccc2ccccc21 ZINC000826448642 1443368240 /nfs/dbraw/zinc/36/82/40/1443368240.db2.gz DYDMIYYZZGIAGC-UHFFFAOYSA-N -1 1 330.351 2.777 20 50 EFGDMM CC(C)(C)c1ccc(NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824136400 1443591230 /nfs/dbraw/zinc/59/12/30/1443591230.db2.gz PIFLPYLJRKHFAL-UHFFFAOYSA-N -1 1 336.399 2.921 20 50 EFGDMM CC[C@H](C(=O)NN=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000825039170 1443764081 /nfs/dbraw/zinc/76/40/81/1443764081.db2.gz NNMNIXNNNLELHM-HNNXBMFYSA-N -1 1 334.383 2.511 20 50 EFGDMM C[C@@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000824385203 1443837051 /nfs/dbraw/zinc/83/70/51/1443837051.db2.gz OBYJJSPMYNFKNG-NSHDSACASA-N -1 1 340.362 2.643 20 50 EFGDMM Cc1ccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000826290508 1443911908 /nfs/dbraw/zinc/91/19/08/1443911908.db2.gz ORFLUZFUHKBEEP-MDWZMJQESA-N -1 1 348.341 2.860 20 50 EFGDMM O=C(CCc1ccccc1Cl)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409147 1443920888 /nfs/dbraw/zinc/92/08/88/1443920888.db2.gz KJQMKYNHAIOCNP-UHFFFAOYSA-N -1 1 342.790 2.596 20 50 EFGDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNc1ccc(Cl)cc1 ZINC000826249647 1446199673 /nfs/dbraw/zinc/19/96/73/1446199673.db2.gz MUADLMZIMHPLIP-UHFFFAOYSA-N -1 1 328.763 2.585 20 50 EFGDMM CCC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(CC)cc1 ZINC000736304815 1446278568 /nfs/dbraw/zinc/27/85/68/1446278568.db2.gz QYVOVJAQKSDZAA-UHFFFAOYSA-N -1 1 348.410 2.973 20 50 EFGDMM O=C(NNc1ccccc1F)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826449309 1446596224 /nfs/dbraw/zinc/59/62/24/1446596224.db2.gz LXKVWLFWSWWGSQ-UHFFFAOYSA-N -1 1 347.741 2.808 20 50 EFGDMM CCC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000736305451 1446625179 /nfs/dbraw/zinc/62/51/79/1446625179.db2.gz VZKKHVZZZXILEQ-UHFFFAOYSA-N -1 1 338.346 2.550 20 50 EFGDMM CC1(C)CCC(C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820590638 1446687168 /nfs/dbraw/zinc/68/71/68/1446687168.db2.gz XMNMBXAWZUTSGG-UHFFFAOYSA-N -1 1 326.404 2.799 20 50 EFGDMM O=C(CCC1CCCCC1)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822950592 1449422968 /nfs/dbraw/zinc/42/29/68/1449422968.db2.gz UKLCKKGOKLXUEN-UHFFFAOYSA-N -1 1 332.433 2.739 20 50 EFGDMM CCc1ccc(C(C)=NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736688737 1449705421 /nfs/dbraw/zinc/70/54/21/1449705421.db2.gz RLBHBMHAECXMDD-UHFFFAOYSA-N -1 1 334.383 2.583 20 50 EFGDMM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000820648605 1450204260 /nfs/dbraw/zinc/20/42/60/1450204260.db2.gz CUJWJJWGEHORIE-RISCZKNCSA-N -1 1 343.435 2.708 20 50 EFGDMM CC(C)(CC(=O)NNc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824152777 1450230806 /nfs/dbraw/zinc/23/08/06/1450230806.db2.gz MQUVHVHOTDDYFI-UHFFFAOYSA-N -1 1 336.399 2.678 20 50 EFGDMM O=C(NN=C1CCC[C@@H]1c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738129131 1450285108 /nfs/dbraw/zinc/28/51/08/1450285108.db2.gz ORRZZUCFQHEZGH-MRXNPFEDSA-N -1 1 346.394 2.920 20 50 EFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C2CCC(C)(C)CC2)o1 ZINC000820202793 945375132 /nfs/dbraw/zinc/37/51/32/945375132.db2.gz LQXCNWYKTAYHHK-UHFFFAOYSA-N -1 1 347.423 2.638 20 50 EFGDMM Cc1ccnc2[nH]c(C(C#N)=Cc3ccc(-c4nn[n-]n4)s3)nc21 ZINC000822378983 946076551 /nfs/dbraw/zinc/07/65/51/946076551.db2.gz ILNQZJACYRENMX-TWGQIWQCSA-N -1 1 334.368 2.572 20 50 EFGDMM O=C([O-])[C@@H](C(=O)NNc1ncc(Cl)cc1Cl)C1CCCC1 ZINC001594835857 954026115 /nfs/dbraw/zinc/02/61/15/954026115.db2.gz MGCIHHXMWODNBV-SNVBAGLBSA-N -1 1 332.187 2.723 20 50 EFGDMM CCN(CC)Cc1ccc(C(=O)NNc2ccc(C)c(C(=O)[O-])c2)o1 ZINC001596275519 983694063 /nfs/dbraw/zinc/69/40/63/983694063.db2.gz HZSVMHVJUHHXNF-UHFFFAOYSA-N -1 1 345.399 2.885 20 50 EFGDMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NN=c1ccc(C(F)(F)F)c[nH]1 ZINC001599957303 985711127 /nfs/dbraw/zinc/71/11/27/985711127.db2.gz NQDKWRPXMOGJLD-UHFFFAOYSA-N -1 1 342.277 2.500 20 50 EFGDMM COc1ccc(=NNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)[nH]c1 ZINC001599597497 993767899 /nfs/dbraw/zinc/76/78/99/993767899.db2.gz VRALGCJIBWBQPZ-UHFFFAOYSA-N -1 1 336.735 2.590 20 50 EFGDMM COc1ccc(C=C(C#N)C(=O)c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000737076211 1428442996 /nfs/dbraw/zinc/44/29/96/1428442996.db2.gz NATRCHBABWOJKT-MDWZMJQESA-N -1 1 349.325 2.804 20 50 EFGDMM CC(C)c1ccsc1C(=O)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000824352585 1428735687 /nfs/dbraw/zinc/73/56/87/1428735687.db2.gz JMULLUHKEJRHLI-UHFFFAOYSA-N -1 1 328.401 2.809 20 50 EFGDMM O=C(NN=C1CCC[C@@H]1c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738128741 1428824645 /nfs/dbraw/zinc/82/46/45/1428824645.db2.gz KTFTXHWRZMQYPC-MRXNPFEDSA-N -1 1 346.394 2.920 20 50 EFGDMM Cc1c2cccc(C)c2oc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826234964 1429023285 /nfs/dbraw/zinc/02/32/85/1429023285.db2.gz WWDLBOLBTPKAFP-UHFFFAOYSA-N -1 1 348.366 2.987 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)Nc1ccccc1F ZINC000822796711 1429320502 /nfs/dbraw/zinc/32/05/02/1429320502.db2.gz WSENMIATYHRTPE-CLFYSBASSA-N -1 1 340.343 2.613 20 50 EFGDMM CC[C@H](Cc1ccccc1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825128218 1429342629 /nfs/dbraw/zinc/34/26/29/1429342629.db2.gz RXPOLCHWAXQQLV-CQSZACIVSA-N -1 1 336.399 2.579 20 50 EFGDMM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)Nc1ccc(F)cc1 ZINC000822795649 1429408820 /nfs/dbraw/zinc/40/88/20/1429408820.db2.gz FHSLMCXPTLCHMC-UITAMQMPSA-N -1 1 340.343 2.613 20 50 EFGDMM C[C@H](CC(=O)NNc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000824384480 1429580010 /nfs/dbraw/zinc/58/00/10/1429580010.db2.gz CJHWBRSDIYDWMJ-LLVKDONJSA-N -1 1 340.362 2.643 20 50 EFGDMM O=C(CC1CCC1)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822940949 1424360996 /nfs/dbraw/zinc/36/09/96/1424360996.db2.gz KVXBEKFEPGDTSD-UHFFFAOYSA-N -1 1 340.309 2.519 20 50 EFGDMM C[C@H](CCC(C)(C)C)NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000735985403 1424660293 /nfs/dbraw/zinc/66/02/93/1424660293.db2.gz KSBHBJPXKNWXJY-LLVKDONJSA-N -1 1 331.424 2.708 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccccc1 ZINC000822795461 1425013563 /nfs/dbraw/zinc/01/35/63/1425013563.db2.gz BDVHFPWCDRSNTA-MDWZMJQESA-N -1 1 334.314 2.551 20 50 EFGDMM CC(C)[C@@H]1CCCCC1=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820038428 1425277055 /nfs/dbraw/zinc/27/70/55/1425277055.db2.gz NWQZFPYJRCMVLM-AWEZNQCLSA-N -1 1 326.404 2.799 20 50 EFGDMM O=C(NN=C[C@@H]1CCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000823270030 1425473018 /nfs/dbraw/zinc/47/30/18/1425473018.db2.gz VVUMMWWVCSRRBE-INIZCTEOSA-N -1 1 346.394 2.702 20 50 EFGDMM O=C(CC1CCCCCC1)NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826404216 1425713314 /nfs/dbraw/zinc/71/33/14/1425713314.db2.gz SQAXTONIRWEVKN-UHFFFAOYSA-N -1 1 349.826 2.719 20 50 EFGDMM CCc1ccc(CCC(=O)NNc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825712606 1426120091 /nfs/dbraw/zinc/12/00/91/1426120091.db2.gz SHHXIIHEDOVKJW-UHFFFAOYSA-N -1 1 336.399 2.505 20 50 EFGDMM O=C(NN=Cc1ccc(-c2nnn[n-]2)s1)c1cccc2ccccc21 ZINC000823273663 1426316751 /nfs/dbraw/zinc/31/67/51/1426316751.db2.gz SWGMLAOJSSQNQG-UHFFFAOYSA-N -1 1 348.391 2.845 20 50 EFGDMM COc1ccccc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826219367 1426552319 /nfs/dbraw/zinc/55/23/19/1426552319.db2.gz ZPYHCFZXDQFQFX-OQLLNIDSSA-N -1 1 331.335 2.665 20 50 EFGDMM C[C@H]1CC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000736224073 1426565947 /nfs/dbraw/zinc/56/59/47/1426565947.db2.gz LGYMCDJLMVZWBG-NSHDSACASA-N -1 1 326.404 2.799 20 50 EFGDMM O=C(NNc1cccc2c1CCCC2)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826449374 1426829461 /nfs/dbraw/zinc/82/94/61/1426829461.db2.gz PDNPTDZAXGCHQJ-UHFFFAOYSA-N -1 1 349.398 2.894 20 50 EFGDMM CCCC[C@@H]1CCC[C@@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000736440539 1427691358 /nfs/dbraw/zinc/69/13/58/1427691358.db2.gz DANQNIMOLWJTMQ-DOMZBBRYSA-N -1 1 343.435 2.852 20 50 EFGDMM C[C@@H]1C[C@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000824864983 1427943871 /nfs/dbraw/zinc/94/38/71/1427943871.db2.gz GLBBYDYBZQPLQI-YPMHNXCESA-N -1 1 328.420 2.772 20 50 EFGDMM CC[C@@H]1CCC[C@@H](C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825192332 1428027744 /nfs/dbraw/zinc/02/77/44/1428027744.db2.gz GLIPKYRZSSYYTI-CHWSQXEVSA-N -1 1 326.404 2.799 20 50 EFGDMM N#CC(=Cc1ccc([O-])c(F)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379508 1428105888 /nfs/dbraw/zinc/10/58/88/1428105888.db2.gz UESWXMOVKKMWTH-AWNIVKPZSA-N -1 1 335.298 2.501 20 50 EFGDMM C[C@H](CC=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824400390 1428146109 /nfs/dbraw/zinc/14/61/09/1428146109.db2.gz GWPISWRMNRRVAQ-CYBMUJFWSA-N -1 1 334.383 2.776 20 50 EFGDMM CC(C)Cc1ccc(C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820108760 1429907614 /nfs/dbraw/zinc/90/76/14/1429907614.db2.gz RCHTVQUOKKKDOL-UHFFFAOYSA-N -1 1 348.410 2.829 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(C2CC2)cc1 ZINC000826448344 1441447141 /nfs/dbraw/zinc/44/71/41/1441447141.db2.gz RCEPVOIWIOHEJP-UHFFFAOYSA-N -1 1 335.371 2.893 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccc(-c2ccoc2)c1 ZINC000826448712 1441449238 /nfs/dbraw/zinc/44/92/38/1441449238.db2.gz HWGPRKBAEHAFDO-UHFFFAOYSA-N -1 1 346.350 2.884 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1Cl ZINC000826447169 1441596084 /nfs/dbraw/zinc/59/60/84/1441596084.db2.gz RAVNJWCJBFFEKM-UHFFFAOYSA-N -1 1 349.181 2.930 20 50 EFGDMM O=C(NN=Cc1cc(-c2nnn[n-]2)cs1)c1ccc2ccccc2c1 ZINC000823272976 1441605518 /nfs/dbraw/zinc/60/55/18/1441605518.db2.gz ATGYHPISVQEDBL-UHFFFAOYSA-N -1 1 348.391 2.845 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000826448061 1441875956 /nfs/dbraw/zinc/87/59/56/1441875956.db2.gz GMLNVSUEPSIIFJ-KCQAQPDRSA-N -1 1 340.431 2.916 20 50 EFGDMM CCCC[C@@H]1CCCC1=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736440970 1441879677 /nfs/dbraw/zinc/87/96/77/1441879677.db2.gz KKCBRLIRJKRTQA-GFCCVEGCSA-N -1 1 326.404 2.943 20 50 EFGDMM CCC(CC)(CC)C(=O)NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825089719 1441881660 /nfs/dbraw/zinc/88/16/60/1441881660.db2.gz LQEWSSIBYSKMPU-UHFFFAOYSA-N -1 1 337.815 2.575 20 50 EFGDMM C=C[C@@H](CC(=O)NNc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823883230 1442089673 /nfs/dbraw/zinc/08/96/73/1442089673.db2.gz LQGCSFGYFPNACZ-ZDUSSCGKSA-N -1 1 334.383 2.670 20 50 EFGDMM C[C@H]1CCCC[C@@H]1CCNC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000736262151 1442096963 /nfs/dbraw/zinc/09/69/63/1442096963.db2.gz MOUNVZOVWUFXBX-QWHCGFSZSA-N -1 1 343.435 2.709 20 50 EFGDMM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)Nc1ccccc1 ZINC000826378794 1442319015 /nfs/dbraw/zinc/31/90/15/1442319015.db2.gz ALFSPDMTVXATBQ-XYOKQWHBSA-N -1 1 334.314 2.551 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1ccc(F)cc1 ZINC000822796221 1442336765 /nfs/dbraw/zinc/33/67/65/1442336765.db2.gz NCWPXYFJRLEZFV-YFHOEESVSA-N -1 1 325.328 2.857 20 50 EFGDMM Cc1ccccc1NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822361455 1443582192 /nfs/dbraw/zinc/58/21/92/1443582192.db2.gz BJIFYFQMLYFTBY-FLIBITNWSA-N -1 1 336.380 2.782 20 50 EFGDMM Cc1cc(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000826266670 1443621729 /nfs/dbraw/zinc/62/17/29/1443621729.db2.gz XIYJRYYEGBPMCQ-UHFFFAOYSA-N -1 1 340.774 2.592 20 50 EFGDMM COc1ccc(C=C(C#N)C(=O)c2ccccc2)cc1-c1nnn[n-]1 ZINC000737074547 1443730310 /nfs/dbraw/zinc/73/03/10/1443730310.db2.gz HFQGGROKTZQLOX-NTEUORMPSA-N -1 1 331.335 2.665 20 50 EFGDMM CC(C)CC1(C(=O)NNc2cc(-c3nnn[n-]3)cc(Cl)n2)CCC1 ZINC000824235115 1443752222 /nfs/dbraw/zinc/75/22/22/1443752222.db2.gz CBGNVCQMEMPNID-UHFFFAOYSA-N -1 1 349.826 2.575 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)c1nc2ccccc2[nH]1 ZINC000822795655 1443851439 /nfs/dbraw/zinc/85/14/39/1443851439.db2.gz FKPUIZIVIZSXSC-GHXNOFRVSA-N -1 1 331.314 2.946 20 50 EFGDMM Cc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822242690 1443927779 /nfs/dbraw/zinc/92/77/79/1443927779.db2.gz UMPPFNQCSFUHDT-RIYZIHGNSA-N -1 1 348.341 2.860 20 50 EFGDMM O=C(NN=Cc1cccc(-c2nnn[n-]2)c1)c1cccc2ccccc21 ZINC000738128417 1443999505 /nfs/dbraw/zinc/99/95/05/1443999505.db2.gz BQRVJXVGGVWODI-UHFFFAOYSA-N -1 1 342.362 2.784 20 50 EFGDMM CC(C)(C)c1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)s1 ZINC000824136403 1446401287 /nfs/dbraw/zinc/40/12/87/1446401287.db2.gz PPXYPGHMLWWHKX-UHFFFAOYSA-N -1 1 342.428 2.983 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)OC1CCCCC1 ZINC000822795504 1446827289 /nfs/dbraw/zinc/82/72/89/1446827289.db2.gz BPJMQLTZLKFYIY-NTMALXAHSA-N -1 1 329.385 2.711 20 50 EFGDMM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)CC2CCCCCC2)o1 ZINC000820202703 1446954630 /nfs/dbraw/zinc/95/46/30/1446954630.db2.gz JZXFWXUVGXOXTN-UHFFFAOYSA-N -1 1 347.423 2.782 20 50 EFGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)c1nc(-c2ccccc2)no1 ZINC000822795470 1447101272 /nfs/dbraw/zinc/10/12/72/1447101272.db2.gz BJWBDXRXWDZDHY-FLIBITNWSA-N -1 1 331.295 2.574 20 50 EFGDMM CC[C@H]1CCC[C@@H](C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825195757 1447172069 /nfs/dbraw/zinc/17/20/69/1447172069.db2.gz YRCGHDFXPPLIMM-QWHCGFSZSA-N -1 1 326.404 2.799 20 50 EFGDMM CC[C@@H](C(=O)NN=Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736314054 1449141408 /nfs/dbraw/zinc/14/14/08/1449141408.db2.gz QPNRRLGTILGBGQ-MRXNPFEDSA-N -1 1 334.383 2.511 20 50 EFGDMM O=C(NNc1cc(Cl)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000823280566 1449444661 /nfs/dbraw/zinc/44/46/61/1449444661.db2.gz BJAODOUFRZJFTJ-UHFFFAOYSA-N -1 1 349.181 2.930 20 50 EFGDMM CC(C)[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824184005 1449504710 /nfs/dbraw/zinc/50/47/10/1449504710.db2.gz BDZDJZMQJFNEEZ-INIZCTEOSA-N -1 1 336.399 2.750 20 50 EFGDMM C[C@H]1C(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H]1c1ccccc1 ZINC000820641279 1449573390 /nfs/dbraw/zinc/57/33/90/1449573390.db2.gz BKDAQLNRPDVBQX-WBMJQRKESA-N -1 1 346.394 2.776 20 50 EFGDMM O=C(C=Cc1ccc(Cl)s1)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826400501 1449622691 /nfs/dbraw/zinc/62/26/91/1449622691.db2.gz AHNKWEYIKBKAOR-VURMDHGXSA-N -1 1 346.803 2.738 20 50 EFGDMM CCCC(=CC(=O)NNc1cc(-c2nnn[n-]2)cc(Cl)n1)CCC ZINC000825218057 1449679577 /nfs/dbraw/zinc/67/95/77/1449679577.db2.gz BGPLRAICYZPHAY-UHFFFAOYSA-N -1 1 349.826 2.885 20 50 EFGDMM C[C@@H]1C(=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1c1ccccc1 ZINC000820642321 1450248084 /nfs/dbraw/zinc/24/80/84/1450248084.db2.gz HZWXBRBBZGIUNP-LRDDRELGSA-N -1 1 346.394 2.776 20 50 EFGDMM CC(C)(C)CCCC(=O)NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824087543 1450315725 /nfs/dbraw/zinc/31/57/25/1450315725.db2.gz WQAQAQZELVGZPD-UHFFFAOYSA-N -1 1 337.815 2.575 20 50 EFGDMM C[C@H](C=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)CCc1ccccc1 ZINC000820220237 1450487863 /nfs/dbraw/zinc/48/78/63/1450487863.db2.gz PFCXDVNKIXCCFE-AWEZNQCLSA-N -1 1 348.410 2.851 20 50 EFGDMM O=C([O-])C1(C(=O)NNc2cc(C(F)(F)F)ccn2)CCCCCC1 ZINC001594865508 954315559 /nfs/dbraw/zinc/31/55/59/954315559.db2.gz WOBSCXKQDNDEGR-UHFFFAOYSA-N -1 1 345.321 2.969 20 50 EFGDMM CC(C)(NC[C@@H](CBr)C1CC1)c1nocc1C(=O)[O-] ZINC001590866455 990758421 /nfs/dbraw/zinc/75/84/21/990758421.db2.gz AQUVOIBRFFKVOY-SECBINFHSA-N -1 1 331.210 2.619 20 50 EFGDMM O=C([O-])Nc1ccccc1C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000833287731 605704690 /nfs/dbraw/zinc/70/46/90/605704690.db2.gz NPPMLUYPKIKEHS-UHFFFAOYSA-N -1 1 339.307 2.598 20 50 EFGDMM COc1ccccc1C(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826217909 1428697361 /nfs/dbraw/zinc/69/73/61/1428697361.db2.gz HUNCCEQNGAORSX-WQLSENKSSA-N -1 1 349.325 2.804 20 50 EFGDMM CC(C)CC1(C(=O)NNc2oc(C(C)C)nc2-c2nnn[n-]2)CCC1 ZINC000820063158 1429065347 /nfs/dbraw/zinc/06/53/47/1429065347.db2.gz RVPZKXGNWTZOPG-UHFFFAOYSA-N -1 1 347.423 2.638 20 50 EFGDMM CC(C)(C)c1ccc(NNC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000824137274 1429314228 /nfs/dbraw/zinc/31/42/28/1429314228.db2.gz ZXWBGOUYOKOFHX-UHFFFAOYSA-N -1 1 342.428 2.983 20 50 EFGDMM CC1(C)CCCC[C@H]1CC(=O)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000824801764 1429372932 /nfs/dbraw/zinc/37/29/32/1429372932.db2.gz IPVWCFZDRZTZEU-ZDUSSCGKSA-N -1 1 328.420 2.916 20 50 EFGDMM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000826191059 1429427068 /nfs/dbraw/zinc/42/70/68/1429427068.db2.gz VZRGSCBQEGVFBK-AUWJEWJLSA-N -1 1 349.325 2.804 20 50 EFGDMM CC[C@@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825082941 1423325095 /nfs/dbraw/zinc/32/50/95/1423325095.db2.gz WDEANSPHLUSYQJ-ZDUSSCGKSA-N -1 1 336.399 2.894 20 50 EFGDMM CC(CCCC(C)C)=NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000820241557 1424092723 /nfs/dbraw/zinc/09/27/23/1424092723.db2.gz GVJHQZMMZDIWQM-UHFFFAOYSA-N -1 1 344.419 2.564 20 50 EFGDMM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1ccc(F)cc1 ZINC000822796666 1424529459 /nfs/dbraw/zinc/52/94/59/1424529459.db2.gz UYPASOFSMJOBDE-BJMVGYQFSA-N -1 1 325.328 2.857 20 50 EFGDMM CC(=CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000823942492 1425229455 /nfs/dbraw/zinc/22/94/55/1425229455.db2.gz DAZRZMAHANAQBY-FLIBITNWSA-N -1 1 338.346 2.552 20 50 EFGDMM COc1cccc(C(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000821854775 1425728303 /nfs/dbraw/zinc/72/83/03/1425728303.db2.gz UZRBMPQEEUMLFM-FLIBITNWSA-N -1 1 337.364 2.727 20 50 EFGDMM O=C(NN=Cc1cc(-c2nnn[n-]2)cs1)c1cccc2ccccc21 ZINC000823273381 1425740492 /nfs/dbraw/zinc/74/04/92/1425740492.db2.gz LINSXKVMWMHLIL-UHFFFAOYSA-N -1 1 348.391 2.845 20 50 EFGDMM CC(=CC(=O)NNc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000823944008 1425858002 /nfs/dbraw/zinc/85/80/02/1425858002.db2.gz WUYFMILCBIDKDT-LUAWRHEFSA-N -1 1 338.346 2.552 20 50 EFGDMM CCC[C@@H](C)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821008234 1425889747 /nfs/dbraw/zinc/88/97/47/1425889747.db2.gz IJHAPKLIBNTXLF-MRVPVSSYSA-N -1 1 342.325 2.765 20 50 EFGDMM Cc1ccccc1NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822361893 1426093983 /nfs/dbraw/zinc/09/39/83/1426093983.db2.gz KDFVJVAVBKLPRJ-ZSOIEALJSA-N -1 1 348.341 2.860 20 50 EFGDMM Cc1ccc(-c2noc(C(C#N)=Cc3ccc(-c4nn[n-]n4)o3)n2)cc1 ZINC000822223540 1426518717 /nfs/dbraw/zinc/51/87/17/1426518717.db2.gz ANCIYBJAGDNSAH-XYOKQWHBSA-N -1 1 345.322 2.882 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc2sccc2s1 ZINC000826448594 1426664923 /nfs/dbraw/zinc/66/49/23/1426664923.db2.gz BUEDAPSQAROHIR-UHFFFAOYSA-N -1 1 342.409 2.900 20 50 EFGDMM CC(=CC(=O)NNc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000823943933 1426929856 /nfs/dbraw/zinc/92/98/56/1426929856.db2.gz VKBXBTNOWFANNX-KHPPLWFESA-N -1 1 338.346 2.552 20 50 EFGDMM CCc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000825711819 1426955222 /nfs/dbraw/zinc/95/52/22/1426955222.db2.gz GSCGDGTTYYLELD-UHFFFAOYSA-N -1 1 341.350 2.717 20 50 EFGDMM Cc1ccccc1NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822361453 1427531434 /nfs/dbraw/zinc/53/14/34/1427531434.db2.gz BJIFYFQMLYFTBY-DHZHZOJOSA-N -1 1 336.380 2.782 20 50 EFGDMM O=C(NNc1cccc2c1CCCC2)c1sccc1-c1nn[n-]n1 ZINC000826449424 1427624231 /nfs/dbraw/zinc/62/42/31/1427624231.db2.gz RRRBSPQCMYCMSE-UHFFFAOYSA-N -1 1 340.412 2.564 20 50 EFGDMM CSc1ccc(C)c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826230266 1427693493 /nfs/dbraw/zinc/69/34/93/1427693493.db2.gz LTRYXYUYIWRRSD-UHFFFAOYSA-N -1 1 340.412 2.654 20 50 EFGDMM Cc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)o2)c(C)c1 ZINC000822242524 1427983987 /nfs/dbraw/zinc/98/39/87/1427983987.db2.gz NWUCFFXFCMHLEH-XYOKQWHBSA-N -1 1 334.339 2.622 20 50 EFGDMM C[C@@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000824039876 1429871619 /nfs/dbraw/zinc/87/16/19/1429871619.db2.gz IYINURBFXLHUEP-MRVPVSSYSA-N -1 1 348.819 2.828 20 50 EFGDMM CCC[C@H](C)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821008236 1430122418 /nfs/dbraw/zinc/12/24/18/1430122418.db2.gz IJHAPKLIBNTXLF-QMMMGPOBSA-N -1 1 342.325 2.765 20 50 EFGDMM CN(C(=O)C(C#N)=Cc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000736732740 1441827361 /nfs/dbraw/zinc/82/73/61/1441827361.db2.gz PPDKZTNNAHJHIL-RVDMUPIBSA-N -1 1 336.399 2.565 20 50 EFGDMM CC(C=NNC(=O)c1cccc(-c2nnn[n-]2)c1)=Cc1ccccc1 ZINC000735963518 1441880856 /nfs/dbraw/zinc/88/08/56/1441880856.db2.gz GHQQUNSKVZPCPI-GIMJTVCNSA-N -1 1 332.367 2.686 20 50 EFGDMM CC(C)[C@H]1CCCCC1=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820038429 1441923102 /nfs/dbraw/zinc/92/31/02/1441923102.db2.gz NWQZFPYJRCMVLM-CQSZACIVSA-N -1 1 326.404 2.799 20 50 EFGDMM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(C(F)F)cc1 ZINC000826448817 1442040550 /nfs/dbraw/zinc/04/05/50/1442040550.db2.gz NDEACKHMPLQAMR-UHFFFAOYSA-N -1 1 330.298 2.561 20 50 EFGDMM Cc1cc[nH]c2nc(C(C#N)=Cc3ccc(-c4nnn[n-]4)cc3F)nc1-2 ZINC000822380158 1442069467 /nfs/dbraw/zinc/06/94/67/1442069467.db2.gz ZHRDJSYCOLODHH-WUXMJOGZSA-N -1 1 346.329 2.650 20 50 EFGDMM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000820648604 1442082107 /nfs/dbraw/zinc/08/21/07/1442082107.db2.gz CUJWJJWGEHORIE-FZMZJTMJSA-N -1 1 343.435 2.708 20 50 EFGDMM Cc1cc(Cl)c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000826267786 1442308507 /nfs/dbraw/zinc/30/85/07/1442308507.db2.gz WTQAXRJBMCLKJO-UHFFFAOYSA-N -1 1 342.790 2.894 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)c1cc2ccccc2s1 ZINC000826447055 1442352254 /nfs/dbraw/zinc/35/22/54/1442352254.db2.gz LBSUMRLBIJMLGT-UHFFFAOYSA-N -1 1 336.380 2.838 20 50 EFGDMM Cc1ccccc1C(C)(C)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826305689 1442395239 /nfs/dbraw/zinc/39/52/39/1442395239.db2.gz FWMUJMAILWSMSM-UHFFFAOYSA-N -1 1 336.399 2.596 20 50 EFGDMM COc1ccc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000737077451 1443288897 /nfs/dbraw/zinc/28/88/97/1443288897.db2.gz UIMFEBVXGIOFEF-MDWZMJQESA-N -1 1 348.322 2.848 20 50 EFGDMM Cc1ccc(-c2noc(C(C#N)=Cc3ccc(-c4nn[n-]n4)o3)n2)cc1 ZINC000822223539 1443647202 /nfs/dbraw/zinc/64/72/02/1443647202.db2.gz ANCIYBJAGDNSAH-WQLSENKSSA-N -1 1 345.322 2.882 20 50 EFGDMM Cc1cc(C(=O)NNc2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000826259702 1443801311 /nfs/dbraw/zinc/80/13/11/1443801311.db2.gz ASXAFDQOXBCQFA-UHFFFAOYSA-N -1 1 328.763 2.585 20 50 EFGDMM CC1(C)CCC[C@H](C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824803714 1443874367 /nfs/dbraw/zinc/87/43/67/1443874367.db2.gz WIVBNTNNCRFFGQ-LBPRGKRZSA-N -1 1 326.404 2.799 20 50 EFGDMM CC[C@@H](C(=O)NN=Cc1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC000820843418 1443956654 /nfs/dbraw/zinc/95/66/54/1443956654.db2.gz YPDCZIBNNUAQCM-CQSZACIVSA-N -1 1 340.412 2.572 20 50 EFGDMM Cc1ccc(Cl)c(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826288469 1446187841 /nfs/dbraw/zinc/18/78/41/1446187841.db2.gz IINVMNRCFJRODN-UHFFFAOYSA-N -1 1 343.778 2.977 20 50 EFGDMM O=C(NNc1ccc2ccccc2n1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738136634 1446275741 /nfs/dbraw/zinc/27/57/41/1446275741.db2.gz HTGQBPGRWWQBLO-UHFFFAOYSA-N -1 1 346.354 2.564 20 50 EFGDMM COc1ccc(C=C(C#N)c2nc3ccccc3[nH]2)cc1-c1nnn[n-]1 ZINC000737077478 1446328671 /nfs/dbraw/zinc/32/86/71/1446328671.db2.gz UUWPVHUGIDMVPK-WQLSENKSSA-N -1 1 343.350 2.816 20 50 EFGDMM O=C(C[C@H]1CCCc2ccccc21)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826405260 1446464210 /nfs/dbraw/zinc/46/42/10/1446464210.db2.gz ZUYCUVUEWQVEBF-OAHLLOKOSA-N -1 1 348.410 2.820 20 50 EFGDMM N#CC(=Cc1cn[nH]c1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826379261 1446470421 /nfs/dbraw/zinc/47/04/21/1446470421.db2.gz NJHNIVABPSOIPE-ACAGNQJTSA-N -1 1 346.379 2.777 20 50 EFGDMM COc1ccccc1C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737137121 1446567177 /nfs/dbraw/zinc/56/71/77/1446567177.db2.gz DUGGMVNVKTZRER-UVTDQMKNSA-N -1 1 331.335 2.665 20 50 EFGDMM COCc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826164358 1446632647 /nfs/dbraw/zinc/63/26/47/1446632647.db2.gz TYMCADRDKNXNNO-RQZCQDPDSA-N -1 1 345.362 2.803 20 50 EFGDMM Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822213048 1446949699 /nfs/dbraw/zinc/94/96/99/1446949699.db2.gz RYXJVFILPWDLJH-UHFFFAOYSA-N -1 1 345.340 2.672 20 50 EFGDMM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000826190747 1449262868 /nfs/dbraw/zinc/26/28/68/1449262868.db2.gz MEEXWFVVORJQCO-SXGWCWSVSA-N -1 1 345.362 2.974 20 50 EFGDMM O=C(CC=Cc1ccc(F)cc1)NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826404781 1449375605 /nfs/dbraw/zinc/37/56/05/1449375605.db2.gz LIKZMQWKGVYITG-UPHRSURJSA-N -1 1 338.346 2.552 20 50 EFGDMM C[C@@H](NC(=O)C(C#N)=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000824471160 1449501534 /nfs/dbraw/zinc/50/15/34/1449501534.db2.gz OSPODMXGNKBLFM-KWWJGWKXSA-N -1 1 344.378 2.651 20 50 EFGDMM Cc1ccccc1NC(=O)C(C#N)=Cc1ccccc1-c1nnn[n-]1 ZINC000826307514 1449876924 /nfs/dbraw/zinc/87/69/24/1449876924.db2.gz LDXZAUKDPNXXMH-GXDHUFHOSA-N -1 1 330.351 2.721 20 50 EFGDMM CCc1cc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000825700653 1449957379 /nfs/dbraw/zinc/95/73/79/1449957379.db2.gz OAWMPWRSUIHIKK-UHFFFAOYSA-N -1 1 337.387 2.886 20 50 EFGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)c1cc2ccccc2o1 ZINC000822795621 1449963794 /nfs/dbraw/zinc/96/37/94/1449963794.db2.gz DFVIXPWCXFSLKP-XFFZJAGNSA-N -1 1 331.291 2.996 20 50 EFGDMM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000826378966 1450027938 /nfs/dbraw/zinc/02/79/38/1450027938.db2.gz GACZBHHQILNYPD-GHXNOFRVSA-N -1 1 336.286 2.978 20 50 EFGDMM N#CC(=Cc1ccccc1-c1nn[n-]n1)c1nc(-c2ccccc2)no1 ZINC000826379390 1450048562 /nfs/dbraw/zinc/04/85/62/1450048562.db2.gz QNZURCFQBVEGRM-GXDHUFHOSA-N -1 1 341.334 2.981 20 50 EFGDMM O=C(NNc1ccc(-c2nnn[n-]2)cc1)c1ccc(C(F)F)cc1 ZINC000826446903 1450061855 /nfs/dbraw/zinc/06/18/55/1450061855.db2.gz DEMWMZVYCBKFRD-UHFFFAOYSA-N -1 1 330.298 2.561 20 50 EFGDMM C[C@H](C(=O)NNc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000824039989 1450112413 /nfs/dbraw/zinc/11/24/13/1450112413.db2.gz KHMPOPOKBFGRSF-JTQLQIEISA-N -1 1 342.790 2.767 20 50 EFGDMM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NNc1ccccc1Cl ZINC000826278264 1450337289 /nfs/dbraw/zinc/33/72/89/1450337289.db2.gz WCDHBAQQMFOTDY-UHFFFAOYSA-N -1 1 343.778 2.977 20 50 EFGDMM