smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ncc2c(n1)CCC[C@@H]2NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000737501834 945084480 /nfs/dbraw/zinc/08/44/80/945084480.db2.gz UYJWWZMSEDYGPL-HNNXBMFYSA-N -1 3 365.401 1.669 20 50 FDGDHM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000737501834 945084488 /nfs/dbraw/zinc/08/44/88/945084488.db2.gz UYJWWZMSEDYGPL-HNNXBMFYSA-N -1 3 365.401 1.669 20 50 FDGDHM N#Cc1ccc(CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000737717559 945117302 /nfs/dbraw/zinc/11/73/02/945117302.db2.gz FUOTZZRMYCTOKB-UHFFFAOYSA-N -1 3 352.333 1.704 20 50 FDGDHM N#Cc1ccc(CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000737717559 945117305 /nfs/dbraw/zinc/11/73/05/945117305.db2.gz FUOTZZRMYCTOKB-UHFFFAOYSA-N -1 3 352.333 1.704 20 50 FDGDHM O=C(C=CC1CCCCC1)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737800569 945128261 /nfs/dbraw/zinc/12/82/61/945128261.db2.gz ZIMZWLCCQCJVHO-IZZDOVSWSA-N -1 3 370.413 1.529 20 50 FDGDHM O=C(CCC(=O)c1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737822146 945131575 /nfs/dbraw/zinc/13/15/75/945131575.db2.gz SXFZAJKNTSTQJW-UHFFFAOYSA-N -1 3 364.365 1.291 20 50 FDGDHM O=C(CCC(=O)c1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737822146 945131577 /nfs/dbraw/zinc/13/15/77/945131577.db2.gz SXFZAJKNTSTQJW-UHFFFAOYSA-N -1 3 364.365 1.291 20 50 FDGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)CC1=CCCCC1 ZINC000737919211 945153514 /nfs/dbraw/zinc/15/35/14/945153514.db2.gz QKDPCCYIAGEDIB-UHFFFAOYSA-N -1 3 356.386 1.283 20 50 FDGDHM O=C(CSc1ccc(O)cc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737948820 945165079 /nfs/dbraw/zinc/16/50/79/945165079.db2.gz ZQEJSFHRXYLNBM-UHFFFAOYSA-N -1 3 370.394 1.126 20 50 FDGDHM O=C(CSc1ccc(O)cc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737948820 945165086 /nfs/dbraw/zinc/16/50/86/945165086.db2.gz ZQEJSFHRXYLNBM-UHFFFAOYSA-N -1 3 370.394 1.126 20 50 FDGDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)NNC(=O)c1ccccc1 ZINC000738098752 945186394 /nfs/dbraw/zinc/18/63/94/945186394.db2.gz BMVWIIKSUPELPY-UHFFFAOYSA-N -1 3 355.333 1.150 20 50 FDGDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)NNC(=O)c1ccccc1 ZINC000738098752 945186404 /nfs/dbraw/zinc/18/64/04/945186404.db2.gz BMVWIIKSUPELPY-UHFFFAOYSA-N -1 3 355.333 1.150 20 50 FDGDHM O=C(NNC(=O)[C@H]1CSc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000738129655 945203604 /nfs/dbraw/zinc/20/36/04/945203604.db2.gz GIERAPCIOSLDTO-ZDUSSCGKSA-N -1 3 366.406 1.517 20 50 FDGDHM O=C(NNC(=O)[C@H]1CSc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000738129655 945203611 /nfs/dbraw/zinc/20/36/11/945203611.db2.gz GIERAPCIOSLDTO-ZDUSSCGKSA-N -1 3 366.406 1.517 20 50 FDGDHM O=C(NNC(=O)c1cccc2ncccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000738134706 945222631 /nfs/dbraw/zinc/22/26/31/945222631.db2.gz RFVHMVUITQQUKR-UHFFFAOYSA-N -1 3 359.349 1.490 20 50 FDGDHM O=C(NNC(=O)c1cccc2ncccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000738134706 945222636 /nfs/dbraw/zinc/22/26/36/945222636.db2.gz RFVHMVUITQQUKR-UHFFFAOYSA-N -1 3 359.349 1.490 20 50 FDGDHM CC(C)CC1(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820062189 945341976 /nfs/dbraw/zinc/34/19/76/945341976.db2.gz JAWQEHSAINGSNA-UHFFFAOYSA-N -1 3 357.418 1.637 20 50 FDGDHM CC(C)CC1(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820062189 945341987 /nfs/dbraw/zinc/34/19/87/945341987.db2.gz JAWQEHSAINGSNA-UHFFFAOYSA-N -1 3 357.418 1.637 20 50 FDGDHM CC(=NNC(=O)NC(C)C)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735449056 944656533 /nfs/dbraw/zinc/65/65/33/944656533.db2.gz VCYCYLHYNGPLMK-UHFFFAOYSA-N -1 3 367.417 1.792 20 50 FDGDHM C[C@H](CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000735978231 944730774 /nfs/dbraw/zinc/73/07/74/944730774.db2.gz ZTNFUBHAYAJQIG-LLVKDONJSA-N -1 3 368.372 1.961 20 50 FDGDHM C[C@H](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000735978231 944730783 /nfs/dbraw/zinc/73/07/83/944730783.db2.gz ZTNFUBHAYAJQIG-LLVKDONJSA-N -1 3 368.372 1.961 20 50 FDGDHM CC[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736353578 944806690 /nfs/dbraw/zinc/80/66/90/944806690.db2.gz OKUGCHYTLZZUBB-AWEZNQCLSA-N -1 3 364.409 1.897 20 50 FDGDHM CC[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736353578 944806698 /nfs/dbraw/zinc/80/66/98/944806698.db2.gz OKUGCHYTLZZUBB-AWEZNQCLSA-N -1 3 364.409 1.897 20 50 FDGDHM CCN(CCC(F)(F)F)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736538057 944840247 /nfs/dbraw/zinc/84/02/47/944840247.db2.gz RQRRCHXKAOMBLQ-UHFFFAOYSA-N -1 3 371.323 1.495 20 50 FDGDHM CCN(CCC(F)(F)F)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736538057 944840250 /nfs/dbraw/zinc/84/02/50/944840250.db2.gz RQRRCHXKAOMBLQ-UHFFFAOYSA-N -1 3 371.323 1.495 20 50 FDGDHM CCN(Cc1ccoc1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736557102 944844484 /nfs/dbraw/zinc/84/44/84/944844484.db2.gz WPBUMDOMIBGBSQ-UHFFFAOYSA-N -1 3 355.358 1.336 20 50 FDGDHM CCN(Cc1ccoc1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736557102 944844489 /nfs/dbraw/zinc/84/44/89/944844489.db2.gz WPBUMDOMIBGBSQ-UHFFFAOYSA-N -1 3 355.358 1.336 20 50 FDGDHM CSc1ccc(C)c(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737193849 944980461 /nfs/dbraw/zinc/98/04/61/944980461.db2.gz XHCVHXUNBHVOCF-UHFFFAOYSA-N -1 3 368.422 1.972 20 50 FDGDHM CSc1ccc(C)c(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737193849 944980467 /nfs/dbraw/zinc/98/04/67/944980467.db2.gz XHCVHXUNBHVOCF-UHFFFAOYSA-N -1 3 368.422 1.972 20 50 FDGDHM Cc1c(C=C(C#N)C(=O)OCC2CCOCC2)cc(-c2nnn[n-]2)n1C ZINC000737211101 944984728 /nfs/dbraw/zinc/98/47/28/944984728.db2.gz APTOSQSFBNNNRX-AUWJEWJLSA-N -1 3 356.386 1.390 20 50 FDGDHM Cc1c(C=C(C#N)C(=O)OCC2CCOCC2)cc(-c2nn[n-]n2)n1C ZINC000737211101 944984732 /nfs/dbraw/zinc/98/47/32/944984732.db2.gz APTOSQSFBNNNRX-AUWJEWJLSA-N -1 3 356.386 1.390 20 50 FDGDHM Cc1c(C=C(C#N)C(=O)NNC(=O)CCC(C)C)cc(-c2nnn[n-]2)n1C ZINC000737212048 944990832 /nfs/dbraw/zinc/99/08/32/944990832.db2.gz HHZWLCVZPQDEOF-QPEQYQDCSA-N -1 3 370.417 1.004 20 50 FDGDHM Cc1c(C=C(C#N)C(=O)NNC(=O)CCC(C)C)cc(-c2nn[n-]n2)n1C ZINC000737212048 944990841 /nfs/dbraw/zinc/99/08/41/944990841.db2.gz HHZWLCVZPQDEOF-QPEQYQDCSA-N -1 3 370.417 1.004 20 50 FDGDHM Cc1cc(O)c(C=NNC(=O)COc2ccccc2-c2nnn[n-]2)cc1C ZINC000737280942 945028220 /nfs/dbraw/zinc/02/82/20/945028220.db2.gz XJAJBASMQDNPHU-UHFFFAOYSA-N -1 3 366.381 1.718 20 50 FDGDHM Cc1cc(O)c(C=NNC(=O)COc2ccccc2-c2nn[n-]n2)cc1C ZINC000737280942 945028226 /nfs/dbraw/zinc/02/82/26/945028226.db2.gz XJAJBASMQDNPHU-UHFFFAOYSA-N -1 3 366.381 1.718 20 50 FDGDHM Cc1cccc(C)c1NCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737388778 945053507 /nfs/dbraw/zinc/05/35/07/945053507.db2.gz FJWNWHPOMCRNCO-UHFFFAOYSA-N -1 3 365.397 1.357 20 50 FDGDHM Cc1cccc(C)c1NCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737388778 945053518 /nfs/dbraw/zinc/05/35/18/945053518.db2.gz FJWNWHPOMCRNCO-UHFFFAOYSA-N -1 3 365.397 1.357 20 50 FDGDHM CC[C@@H](C(=O)NNC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820841976 945568611 /nfs/dbraw/zinc/56/86/11/945568611.db2.gz HPEMYFIAUGQWSW-MRXNPFEDSA-N -1 3 364.409 1.750 20 50 FDGDHM CC[C@@H](C(=O)NNC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820841976 945568617 /nfs/dbraw/zinc/56/86/17/945568617.db2.gz HPEMYFIAUGQWSW-MRXNPFEDSA-N -1 3 364.409 1.750 20 50 FDGDHM CCCN(CC(C)(C)O)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821088446 945634222 /nfs/dbraw/zinc/63/42/22/945634222.db2.gz OMDAAQQNXXMKET-ZSOIEALJSA-N -1 3 371.445 1.430 20 50 FDGDHM CCCN(CC(C)(C)O)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821088446 945634224 /nfs/dbraw/zinc/63/42/24/945634224.db2.gz OMDAAQQNXXMKET-ZSOIEALJSA-N -1 3 371.445 1.430 20 50 FDGDHM CCCn1cc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)cn1 ZINC000821147460 945642785 /nfs/dbraw/zinc/64/27/85/945642785.db2.gz GOYQEYJURSSFNL-MLPAPPSSSA-N -1 3 365.401 1.666 20 50 FDGDHM CCc1cnc(COC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)o1 ZINC000821499861 945708923 /nfs/dbraw/zinc/70/89/23/945708923.db2.gz SUZXVHQRGIHHMT-XGICHPGQSA-N -1 3 367.369 1.714 20 50 FDGDHM CCc1cnc(COC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)o1 ZINC000821499861 945708930 /nfs/dbraw/zinc/70/89/30/945708930.db2.gz SUZXVHQRGIHHMT-XGICHPGQSA-N -1 3 367.369 1.714 20 50 FDGDHM COC(=O)[C@H](NNC(=O)CC1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645445 945772117 /nfs/dbraw/zinc/77/21/17/945772117.db2.gz ZSGJQBJGQWTOQU-OAHLLOKOSA-N -1 3 358.402 1.282 20 50 FDGDHM COC(=O)[C@H](NNC(=O)CC1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645445 945772123 /nfs/dbraw/zinc/77/21/23/945772123.db2.gz ZSGJQBJGQWTOQU-OAHLLOKOSA-N -1 3 358.402 1.282 20 50 FDGDHM Cc1c(C=C(C#N)C(=O)NCC2(C)CCOCC2)cc(-c2nnn[n-]2)n1C ZINC000822027137 945928071 /nfs/dbraw/zinc/92/80/71/945928071.db2.gz DMBFJFGGEANVQY-RIYZIHGNSA-N -1 3 369.429 1.354 20 50 FDGDHM Cc1c(C=C(C#N)C(=O)NCC2(C)CCOCC2)cc(-c2nn[n-]n2)n1C ZINC000822027137 945928082 /nfs/dbraw/zinc/92/80/82/945928082.db2.gz DMBFJFGGEANVQY-RIYZIHGNSA-N -1 3 369.429 1.354 20 50 FDGDHM Cc1cc(C=NNC(=O)COc2ccccc2-c2nnn[n-]2)cnc1Cl ZINC000822198943 945986301 /nfs/dbraw/zinc/98/63/01/945986301.db2.gz PDQFLRJMEJQETA-UHFFFAOYSA-N -1 3 371.788 1.753 20 50 FDGDHM Cc1cc(C=NNC(=O)COc2ccccc2-c2nn[n-]n2)cnc1Cl ZINC000822198943 945986313 /nfs/dbraw/zinc/98/63/13/945986313.db2.gz PDQFLRJMEJQETA-UHFFFAOYSA-N -1 3 371.788 1.753 20 50 FDGDHM Cc1ccc(NNC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000822258661 946032588 /nfs/dbraw/zinc/03/25/88/946032588.db2.gz ADGIYAKZIUQJSE-UHFFFAOYSA-N -1 3 354.374 1.275 20 50 FDGDHM Cc1cccc(C(=O)NNC(=O)CSc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000822284088 946042092 /nfs/dbraw/zinc/04/20/92/946042092.db2.gz JEHXMDQNYCDYKM-UHFFFAOYSA-N -1 3 369.410 1.123 20 50 FDGDHM Cc1cccc(C(=O)NNC(=O)CSc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000822284088 946042104 /nfs/dbraw/zinc/04/21/04/946042104.db2.gz JEHXMDQNYCDYKM-UHFFFAOYSA-N -1 3 369.410 1.123 20 50 FDGDHM Cc1ccc2c(c1)[C@@H](NC(=O)NNc1cccc(-c3nnn[n-]3)c1)CO2 ZINC000822275618 946043512 /nfs/dbraw/zinc/04/35/12/946043512.db2.gz XGMUDDCVCFWMDU-AWEZNQCLSA-N -1 3 351.370 1.935 20 50 FDGDHM Cc1ccc2c(c1)[C@@H](NC(=O)NNc1cccc(-c3nn[n-]n3)c1)CO2 ZINC000822275618 946043524 /nfs/dbraw/zinc/04/35/24/946043524.db2.gz XGMUDDCVCFWMDU-AWEZNQCLSA-N -1 3 351.370 1.935 20 50 FDGDHM Cc1cccc(C)c1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822294390 946048192 /nfs/dbraw/zinc/04/81/92/946048192.db2.gz ZCINIKXEPAHRHR-UHFFFAOYSA-N -1 3 365.397 1.628 20 50 FDGDHM Cc1cccc(C)c1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822294390 946048203 /nfs/dbraw/zinc/04/82/03/946048203.db2.gz ZCINIKXEPAHRHR-UHFFFAOYSA-N -1 3 365.397 1.628 20 50 FDGDHM Cc1cccc(NC(=S)NNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1C ZINC000822323423 946050797 /nfs/dbraw/zinc/05/07/97/946050797.db2.gz GPWNGCSPSZAKBV-UHFFFAOYSA-N -1 3 356.415 1.443 20 50 FDGDHM Cc1cccc(NC(=S)NNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1C ZINC000822323423 946050810 /nfs/dbraw/zinc/05/08/10/946050810.db2.gz GPWNGCSPSZAKBV-UHFFFAOYSA-N -1 3 356.415 1.443 20 50 FDGDHM O=C(CCOc1ccccc1)NNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822974669 946243636 /nfs/dbraw/zinc/24/36/36/946243636.db2.gz YEAWMRAFZSYFDN-UHFFFAOYSA-N -1 3 366.381 1.026 20 50 FDGDHM O=C(CCOc1ccccc1)NNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822974669 946243647 /nfs/dbraw/zinc/24/36/47/946243647.db2.gz YEAWMRAFZSYFDN-UHFFFAOYSA-N -1 3 366.381 1.026 20 50 FDGDHM O=C(Cc1ccc(F)cc1Cl)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823082578 946305797 /nfs/dbraw/zinc/30/57/97/946305797.db2.gz KPIFTHVJBAXUAV-UHFFFAOYSA-N -1 3 374.763 1.663 20 50 FDGDHM O=C(Cc1ccc(F)cc1Cl)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823082578 946305807 /nfs/dbraw/zinc/30/58/07/946305807.db2.gz KPIFTHVJBAXUAV-UHFFFAOYSA-N -1 3 374.763 1.663 20 50 FDGDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NNC(=O)NCCc1cccs1 ZINC000823104477 946311385 /nfs/dbraw/zinc/31/13/85/946311385.db2.gz XONYFYPNGOGQQF-UHFFFAOYSA-N -1 3 371.426 1.044 20 50 FDGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NNC(=O)NCCc1cccs1 ZINC000823104477 946311398 /nfs/dbraw/zinc/31/13/98/946311398.db2.gz XONYFYPNGOGQQF-UHFFFAOYSA-N -1 3 371.426 1.044 20 50 FDGDHM O=C(NCCCC(F)(F)F)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823188031 946339358 /nfs/dbraw/zinc/33/93/58/946339358.db2.gz SUZLTIXPJBOINX-UHFFFAOYSA-N -1 3 357.296 1.153 20 50 FDGDHM O=C(NCCCC(F)(F)F)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823188031 946339369 /nfs/dbraw/zinc/33/93/69/946339369.db2.gz SUZLTIXPJBOINX-UHFFFAOYSA-N -1 3 357.296 1.153 20 50 FDGDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)NNc1ccc(Cl)nc1 ZINC000823238493 946353065 /nfs/dbraw/zinc/35/30/65/946353065.db2.gz OAPDTCXFYZJROX-UHFFFAOYSA-N -1 3 362.756 1.881 20 50 FDGDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)NNc1ccc(Cl)nc1 ZINC000823238493 946353073 /nfs/dbraw/zinc/35/30/73/946353073.db2.gz OAPDTCXFYZJROX-UHFFFAOYSA-N -1 3 362.756 1.881 20 50 FDGDHM O=C(NNC(=O)[C@@H]1C[C@H]1Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000823273694 946385407 /nfs/dbraw/zinc/38/54/07/946385407.db2.gz UGEWADWBRDBJCD-HZPDHXFCSA-N -1 3 362.393 1.507 20 50 FDGDHM O=C(NNC(=O)[C@@H]1C[C@H]1Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000823273694 946385418 /nfs/dbraw/zinc/38/54/18/946385418.db2.gz UGEWADWBRDBJCD-HZPDHXFCSA-N -1 3 362.393 1.507 20 50 FDGDHM 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CCN(CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)C(=O)OC(C)(C)C ZINC000825396005 607349109 /nfs/dbraw/zinc/34/91/09/607349109.db2.gz ZGCYDGTTZQQEIN-UHFFFAOYSA-N -1 3 361.406 1.567 20 50 FDGDHM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824104628 607355870 /nfs/dbraw/zinc/35/58/70/607355870.db2.gz VURDLNYYZJBQLY-ZDUSSCGKSA-N -1 3 373.417 1.709 20 50 FDGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H]1CSC(=O)N1 ZINC000826482305 607395212 /nfs/dbraw/zinc/39/52/12/607395212.db2.gz ZNWOAAQCPFCOHQ-MRVPVSSYSA-N -1 3 373.320 1.154 20 50 FDGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H]1CSC(=O)N1 ZINC000826482305 607395213 /nfs/dbraw/zinc/39/52/13/607395213.db2.gz ZNWOAAQCPFCOHQ-MRVPVSSYSA-N -1 3 373.320 1.154 20 50 FDGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1csnn1 ZINC000826446359 607395221 /nfs/dbraw/zinc/39/52/21/607395221.db2.gz ISFYEVBKWUKSMA-UHFFFAOYSA-N -1 3 356.293 1.494 20 50 FDGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1csnn1 ZINC000826446359 607395222 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Cc1c(NNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000826243005 609254339 /nfs/dbraw/zinc/25/43/39/609254339.db2.gz PNJNPFVJVIAKKK-AWEZNQCLSA-N -1 3 369.341 1.260 20 50 FDGDHM Cc1c(NNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826243005 609254341 /nfs/dbraw/zinc/25/43/41/609254341.db2.gz PNJNPFVJVIAKKK-AWEZNQCLSA-N -1 3 369.341 1.260 20 50 FDGDHM CC(=NNC(=O)Cc1nc(C)cs1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948722 609275327 /nfs/dbraw/zinc/27/53/27/609275327.db2.gz VEMGLVOYRKHUCE-UHFFFAOYSA-N -1 3 359.390 1.854 20 50 FDGDHM CC(=NNC(=O)Cc1nc(C)cs1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948722 609275328 /nfs/dbraw/zinc/27/53/28/609275328.db2.gz VEMGLVOYRKHUCE-UHFFFAOYSA-N -1 3 359.390 1.854 20 50 FDGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H](C)[C@@H](F)C2)cc(-c2nnn[n-]2)n1C ZINC000826235496 609401830 /nfs/dbraw/zinc/40/18/30/609401830.db2.gz KXHDDCDQRYKPON-QFULOOFISA-N -1 3 357.393 1.627 20 50 FDGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H](C)[C@@H](F)C2)cc(-c2nn[n-]n2)n1C ZINC000826235496 609401833 /nfs/dbraw/zinc/40/18/33/609401833.db2.gz KXHDDCDQRYKPON-QFULOOFISA-N -1 3 357.393 1.627 20 50 FDGDHM CC[C@@H]1C[C@@H](C=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825182443 609514497 /nfs/dbraw/zinc/51/44/97/609514497.db2.gz JIDCYGQNGKLKOA-GXTWGEPZSA-N -1 3 358.402 1.553 20 50 FDGDHM CC[C@H]1C[C@H](C=NNC(=O)COc2ccccc2-c2nnn[n-]2)CCO1 ZINC000825183411 609514609 /nfs/dbraw/zinc/51/46/09/609514609.db2.gz ONZGUSAISBICIU-OLZOCXBDSA-N -1 3 358.402 1.553 20 50 FDGDHM CC[C@H]1C[C@H](C=NNC(=O)COc2ccccc2-c2nn[n-]n2)CCO1 ZINC000825183411 609514610 /nfs/dbraw/zinc/51/46/10/609514610.db2.gz ONZGUSAISBICIU-OLZOCXBDSA-N -1 3 358.402 1.553 20 50 FDGDHM Cc1nc(NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)sc1C ZINC000737481628 945079488 /nfs/dbraw/zinc/07/94/88/945079488.db2.gz BVFCHCGIQGIYLZ-UHFFFAOYSA-N -1 3 358.387 1.407 20 50 FDGDHM Cc1nc(NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)sc1C ZINC000737481628 945079501 /nfs/dbraw/zinc/07/95/01/945079501.db2.gz BVFCHCGIQGIYLZ-UHFFFAOYSA-N -1 3 358.387 1.407 20 50 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FDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccnc(OCC(F)F)c1 ZINC000826449584 607996017 /nfs/dbraw/zinc/99/60/17/607996017.db2.gz ZTZRCJQSGISRHL-UHFFFAOYSA-N -1 3 361.312 1.663 20 50 FDGDHM O=C(NCCc1cccc([N+](=O)[O-])c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826440032 607996493 /nfs/dbraw/zinc/99/64/93/607996493.db2.gz VLKZRHAGCXHUAJ-UHFFFAOYSA-N -1 3 368.357 1.644 20 50 FDGDHM O=C(NCCc1cccc([N+](=O)[O-])c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826440032 607996494 /nfs/dbraw/zinc/99/64/94/607996494.db2.gz VLKZRHAGCXHUAJ-UHFFFAOYSA-N -1 3 368.357 1.644 20 50 FDGDHM CCOC(=O)[C@@H]1CCC(=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H](C)C1 ZINC000825499135 608054048 /nfs/dbraw/zinc/05/40/48/608054048.db2.gz HDTABWMFNILFBO-SMDDNHRTSA-N -1 3 370.413 1.952 20 50 FDGDHM CCOC(=O)[C@@H]1CCC(=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC000825499135 608054049 /nfs/dbraw/zinc/05/40/49/608054049.db2.gz HDTABWMFNILFBO-SMDDNHRTSA-N -1 3 370.413 1.952 20 50 FDGDHM CCO/C=C(/C#N)C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825582564 608090276 /nfs/dbraw/zinc/09/02/76/608090276.db2.gz LILUQLWJSXUDTF-QKXCFHHRSA-N -1 3 354.370 1.211 20 50 FDGDHM CCO/C=C(/C#N)C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825582564 608090277 /nfs/dbraw/zinc/09/02/77/608090277.db2.gz LILUQLWJSXUDTF-QKXCFHHRSA-N -1 3 354.370 1.211 20 50 FDGDHM CC(C)(C)C(=O)NNC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824070761 608090951 /nfs/dbraw/zinc/09/09/51/608090951.db2.gz BRZWRUGXPDRBBX-ZDUSSCGKSA-N -1 3 373.417 1.027 20 50 FDGDHM CC(C)(C)C(=O)NNC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824070761 608090952 /nfs/dbraw/zinc/09/09/52/608090952.db2.gz BRZWRUGXPDRBBX-ZDUSSCGKSA-N -1 3 373.417 1.027 20 50 FDGDHM CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823943133 608094198 /nfs/dbraw/zinc/09/41/98/608094198.db2.gz OIRAYGKUYSOMRA-UHFFFAOYSA-N -1 3 369.410 1.716 20 50 FDGDHM Cc1cccc(NC(=O)C(=O)NNc2ncccc2Cl)c1-c1nnn[n-]1 ZINC000826299043 608141279 /nfs/dbraw/zinc/14/12/79/608141279.db2.gz OSTFQGAGOBZGRI-UHFFFAOYSA-N -1 3 372.776 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FDGDHM O=C(NNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738129371 945201377 /nfs/dbraw/zinc/20/13/77/945201377.db2.gz AHJDZOUFEFUGSB-CABCVRRESA-N -1 3 366.356 1.571 20 50 FDGDHM O=C(NNS(=O)(=O)C=Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738134298 945219489 /nfs/dbraw/zinc/21/94/89/945219489.db2.gz KBGJMXLHLAROSV-KTKRTIGZSA-N -1 3 370.394 1.102 20 50 FDGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000738136231 945232122 /nfs/dbraw/zinc/23/21/22/945232122.db2.gz ICONDTXZFNCVPD-HUUCEWRRSA-N -1 3 363.381 1.367 20 50 FDGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000738136231 945232130 /nfs/dbraw/zinc/23/21/30/945232130.db2.gz ICONDTXZFNCVPD-HUUCEWRRSA-N -1 3 363.381 1.367 20 50 FDGDHM O=C(NNC(=O)N1CCC[C@@H]1C1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738136309 945232759 /nfs/dbraw/zinc/23/27/59/945232759.db2.gz IQNHKLKDCZLBNO-CQSZACIVSA-N -1 3 355.402 1.486 20 50 FDGDHM O=C(NNC(=O)N1CCC[C@@H]1C1CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738136309 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FDGDHM C[C@H](C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1F ZINC000735552196 944671239 /nfs/dbraw/zinc/67/12/39/944671239.db2.gz VRODOPYRVOMFIQ-JTQLQIEISA-N -1 3 354.345 1.571 20 50 FDGDHM C[C@H](C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000735552196 944671242 /nfs/dbraw/zinc/67/12/42/944671242.db2.gz VRODOPYRVOMFIQ-JTQLQIEISA-N -1 3 354.345 1.571 20 50 FDGDHM CC(C)(C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000735581544 944673415 /nfs/dbraw/zinc/67/34/15/944673415.db2.gz XAHVGANYFZPCPL-UHFFFAOYSA-N -1 3 368.372 1.745 20 50 FDGDHM CC(C)(C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000735581544 944673422 /nfs/dbraw/zinc/67/34/22/944673422.db2.gz XAHVGANYFZPCPL-UHFFFAOYSA-N -1 3 368.372 1.745 20 50 FDGDHM C[C@H]1CC(NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H](C)C1 ZINC000736224910 944768970 /nfs/dbraw/zinc/76/89/70/944768970.db2.gz OJGBZYCDLUGIIR-GHMZBOCLSA-N -1 3 357.418 1.635 20 50 FDGDHM C[C@H]1CC(NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H](C)C1 ZINC000736224910 944768982 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FDGDHM COc1ccc(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000737081721 944952704 /nfs/dbraw/zinc/95/27/04/944952704.db2.gz AHLHZROHGGDGEN-UHFFFAOYSA-N -1 3 370.344 1.018 20 50 FDGDHM COc1ccc(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000737081721 944952709 /nfs/dbraw/zinc/95/27/09/944952709.db2.gz AHLHZROHGGDGEN-UHFFFAOYSA-N -1 3 370.344 1.018 20 50 FDGDHM Cc1ccc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000737313203 945037331 /nfs/dbraw/zinc/03/73/31/945037331.db2.gz RKCHPNFXCJHFID-UHFFFAOYSA-N -1 3 356.773 1.903 20 50 FDGDHM Cc1ccc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737313203 945037334 /nfs/dbraw/zinc/03/73/34/945037334.db2.gz RKCHPNFXCJHFID-UHFFFAOYSA-N -1 3 356.773 1.903 20 50 FDGDHM Cc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737341353 945043341 /nfs/dbraw/zinc/04/33/41/945043341.db2.gz GMGOZJDRNGZZIX-UHFFFAOYSA-N -1 3 351.370 1.319 20 50 FDGDHM Cc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737341353 945043350 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CO[C@]1(C)C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1(C)C ZINC000821678314 945795604 /nfs/dbraw/zinc/79/56/04/945795604.db2.gz MMBZULGKBKSATF-SJKOYZFVSA-N -1 3 373.417 1.014 20 50 FDGDHM CO[C@]1(C)C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1(C)C ZINC000821678314 945795613 /nfs/dbraw/zinc/79/56/13/945795613.db2.gz MMBZULGKBKSATF-SJKOYZFVSA-N -1 3 373.417 1.014 20 50 FDGDHM COc1ccc(NCC(=O)NN=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821835269 945877855 /nfs/dbraw/zinc/87/78/55/945877855.db2.gz GNEPNLIISVVUMR-UHFFFAOYSA-N -1 3 369.360 1.577 20 50 FDGDHM COc1ccc(NCC(=O)NN=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821835269 945877867 /nfs/dbraw/zinc/87/78/67/945877867.db2.gz GNEPNLIISVVUMR-UHFFFAOYSA-N -1 3 369.360 1.577 20 50 FDGDHM COc1ccc(OCC(=O)NN=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821841660 945881675 /nfs/dbraw/zinc/88/16/75/945881675.db2.gz LBDZARZSPAUIQU-UHFFFAOYSA-N -1 3 358.383 1.466 20 50 FDGDHM COc1ccc(OCC(=O)NN=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821841660 945881690 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Cc1cccc(F)c1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822308979 946050649 /nfs/dbraw/zinc/05/06/49/946050649.db2.gz LMQMYUBJDOYHGV-UHFFFAOYSA-N -1 3 369.360 1.458 20 50 FDGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000822645818 946144126 /nfs/dbraw/zinc/14/41/26/946144126.db2.gz QRWUDHIDTRXOCQ-UHFFFAOYSA-N -1 3 369.429 1.183 20 50 FDGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000822645818 946144134 /nfs/dbraw/zinc/14/41/34/946144134.db2.gz QRWUDHIDTRXOCQ-UHFFFAOYSA-N -1 3 369.429 1.183 20 50 FDGDHM O=C(NN=Cc1ccc(-c2nnn[n-]2)s1)c1ccc2c(c1)OCCO2 ZINC000823272935 946368999 /nfs/dbraw/zinc/36/89/99/946368999.db2.gz AAZZXUYRJZOFGP-UHFFFAOYSA-N -1 3 356.367 1.463 20 50 FDGDHM CC(C)(C)[C@@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824079933 946582226 /nfs/dbraw/zinc/58/22/26/946582226.db2.gz SVDOHGKSPHFSLF-CYBMUJFWSA-N -1 3 357.418 1.589 20 50 FDGDHM CC(C)(C)[C@@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824079933 946582234 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Cc1c(C=C(C#N)C(=O)OCCCCCCO)cc(-c2nn[n-]n2)n1C ZINC000826235130 947689474 /nfs/dbraw/zinc/68/94/74/947689474.db2.gz CHBNWRHPEPTLDV-ZROIWOOFSA-N -1 3 358.402 1.517 20 50 FDGDHM COc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826187417 607335869 /nfs/dbraw/zinc/33/58/69/607335869.db2.gz PFFULOJVCDSUOW-UHFFFAOYSA-N -1 3 355.314 1.540 20 50 FDGDHM COc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826187417 607335871 /nfs/dbraw/zinc/33/58/71/607335871.db2.gz PFFULOJVCDSUOW-UHFFFAOYSA-N -1 3 355.314 1.540 20 50 FDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000826448432 607336844 /nfs/dbraw/zinc/33/68/44/607336844.db2.gz VBRIDWJCCZQHMP-UHFFFAOYSA-N -1 3 366.385 1.188 20 50 FDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000826448432 607336846 /nfs/dbraw/zinc/33/68/46/607336846.db2.gz VBRIDWJCCZQHMP-UHFFFAOYSA-N -1 3 366.385 1.188 20 50 FDGDHM CC(C)(C)OC(=O)NC1(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824109893 607348773 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Cc1oc2nc[nH]c(=O)c2c1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826342650 607715799 /nfs/dbraw/zinc/71/57/99/607715799.db2.gz USUXHXVDROLSQQ-UHFFFAOYSA-N -1 3 352.314 1.174 20 50 FDGDHM Cc1oc2nc[nH]c(=O)c2c1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826342650 607715801 /nfs/dbraw/zinc/71/58/01/607715801.db2.gz USUXHXVDROLSQQ-UHFFFAOYSA-N -1 3 352.314 1.174 20 50 FDGDHM O=C(Cc1cnn(-c2ccccc2)c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826423944 607717803 /nfs/dbraw/zinc/71/78/03/607717803.db2.gz OREHXZOZKUCOIX-UHFFFAOYSA-N -1 3 360.381 1.738 20 50 FDGDHM O=C(Cc1cnn(-c2ccccc2)c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826423944 607717805 /nfs/dbraw/zinc/71/78/05/607717805.db2.gz OREHXZOZKUCOIX-UHFFFAOYSA-N -1 3 360.381 1.738 20 50 FDGDHM COc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826177516 607722198 /nfs/dbraw/zinc/72/21/98/607722198.db2.gz LMRNXFFKPDMMLD-UHFFFAOYSA-N -1 3 355.314 1.540 20 50 FDGDHM COc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826177516 607722200 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361.369 1.419 20 50 FDGDHM Cn1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c(-c2ccncc2)n1 ZINC000826359054 607726245 /nfs/dbraw/zinc/72/62/45/607726245.db2.gz TXFSMFCTLVYNPQ-UHFFFAOYSA-N -1 3 361.369 1.419 20 50 FDGDHM O=C(CCc1ccc2c(c1)OCCO2)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409353 607728085 /nfs/dbraw/zinc/72/80/85/607728085.db2.gz TZBBZDPJXYWJAT-UHFFFAOYSA-N -1 3 366.381 1.714 20 50 FDGDHM O=C(CCc1ccc2c(c1)OCCO2)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409353 607728086 /nfs/dbraw/zinc/72/80/86/607728086.db2.gz TZBBZDPJXYWJAT-UHFFFAOYSA-N -1 3 366.381 1.714 20 50 FDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1csc(-c2cnccn2)n1 ZINC000826449504 607730817 /nfs/dbraw/zinc/73/08/17/607730817.db2.gz WBODRJGVHSYRSE-UHFFFAOYSA-N -1 3 365.382 1.537 20 50 FDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1csc(-c2cnccn2)n1 ZINC000826449504 607730819 /nfs/dbraw/zinc/73/08/19/607730819.db2.gz WBODRJGVHSYRSE-UHFFFAOYSA-N -1 3 365.382 1.537 20 50 FDGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H]1CCCOC1 ZINC000823281448 606129216 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FDGDHM CC[C@@H](C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736312704 944797272 /nfs/dbraw/zinc/79/72/72/944797272.db2.gz JMDBFAPCPAEMFT-OAHLLOKOSA-N -1 3 350.382 1.822 20 50 FDGDHM CC[C@@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736312704 944797284 /nfs/dbraw/zinc/79/72/84/944797284.db2.gz JMDBFAPCPAEMFT-OAHLLOKOSA-N -1 3 350.382 1.822 20 50 FDGDHM CC[C@@H](OC1CCCC1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736374998 944812916 /nfs/dbraw/zinc/81/29/16/944812916.db2.gz HCWVJNQECBLPER-CQSZACIVSA-N -1 3 358.402 1.366 20 50 FDGDHM CC[C@@H](OC1CCCC1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736374998 944812921 /nfs/dbraw/zinc/81/29/21/944812921.db2.gz HCWVJNQECBLPER-CQSZACIVSA-N -1 3 358.402 1.366 20 50 FDGDHM CC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736400889 944814238 /nfs/dbraw/zinc/81/42/38/944814238.db2.gz TWBSJXNTNQWAHL-SMDDNHRTSA-N -1 3 357.418 1.780 20 50 FDGDHM CC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736400889 944814250 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COc1cc(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc2c1OCO2 ZINC000737044280 944939666 /nfs/dbraw/zinc/93/96/66/944939666.db2.gz NVVGKSQUIPLLBD-UHFFFAOYSA-N -1 3 366.337 1.368 20 50 FDGDHM COc1cc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc2c1OCO2 ZINC000737044280 944939670 /nfs/dbraw/zinc/93/96/70/944939670.db2.gz NVVGKSQUIPLLBD-UHFFFAOYSA-N -1 3 366.337 1.368 20 50 FDGDHM COc1ccc([C@@H](C)C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737070781 944941516 /nfs/dbraw/zinc/94/15/16/944941516.db2.gz BUGCRSBKSFBYKI-LLVKDONJSA-N -1 3 366.381 1.440 20 50 FDGDHM COc1ccc([C@@H](C)C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737070781 944941527 /nfs/dbraw/zinc/94/15/27/944941527.db2.gz BUGCRSBKSFBYKI-LLVKDONJSA-N -1 3 366.381 1.440 20 50 FDGDHM Cc1c(C=C(C#N)C(=O)NCC2CCSCC2)cc(-c2nnn[n-]2)n1C ZINC000737212032 944988755 /nfs/dbraw/zinc/98/87/55/944988755.db2.gz GUMGFIJNTUOASB-VGOFMYFVSA-N -1 3 371.470 1.680 20 50 FDGDHM Cc1c(C=C(C#N)C(=O)NCC2CCSCC2)cc(-c2nn[n-]n2)n1C ZINC000737212032 944988760 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FDGDHM C[C@H](Oc1ccc(F)cc1)C(=O)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000820536429 945478592 /nfs/dbraw/zinc/47/85/92/945478592.db2.gz SZNHLMUDQAEKOO-VIFPVBQESA-N -1 3 360.374 1.985 20 50 FDGDHM C[C@@H]1Cc2ccccc2C1=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820813809 945558394 /nfs/dbraw/zinc/55/83/94/945558394.db2.gz NIXWSETUBLPFIE-GFCCVEGCSA-N -1 3 362.393 1.958 20 50 FDGDHM CCO[C@H]1C[C@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)C12CCC2 ZINC000821361204 945681794 /nfs/dbraw/zinc/68/17/94/945681794.db2.gz UJYBJOQGLADJQY-KBPBESRZSA-N -1 3 357.418 1.841 20 50 FDGDHM CCO[C@H]1C[C@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)C12CCC2 ZINC000821361204 945681801 /nfs/dbraw/zinc/68/18/01/945681801.db2.gz UJYBJOQGLADJQY-KBPBESRZSA-N -1 3 357.418 1.841 20 50 FDGDHM COc1ccc(NCC(=O)NN=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821835796 945882813 /nfs/dbraw/zinc/88/28/13/945882813.db2.gz RTAWSNRITVVVSQ-UHFFFAOYSA-N -1 3 357.399 1.499 20 50 FDGDHM COc1ccc(NCC(=O)NN=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821835796 945882828 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945981586 /nfs/dbraw/zinc/98/15/86/945981586.db2.gz FHGULOVFWKNLNE-UHFFFAOYSA-N -1 3 364.413 1.537 20 50 FDGDHM Cc1cc(C)n(CC(=O)NN=C2CCCc3cc(-c4nn[n-]n4)ccc32)n1 ZINC000822197540 945981598 /nfs/dbraw/zinc/98/15/98/945981598.db2.gz FHGULOVFWKNLNE-UHFFFAOYSA-N -1 3 364.413 1.537 20 50 FDGDHM Cc1cc(Cl)ccc1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822202286 945987910 /nfs/dbraw/zinc/98/79/10/945987910.db2.gz UKKLKPIMDMIDDS-UHFFFAOYSA-N -1 3 356.773 1.903 20 50 FDGDHM Cc1cc(Cl)ccc1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822202286 945987914 /nfs/dbraw/zinc/98/79/14/945987914.db2.gz UKKLKPIMDMIDDS-UHFFFAOYSA-N -1 3 356.773 1.903 20 50 FDGDHM Cc1nc(N)sc1C(=O)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000822449738 946093327 /nfs/dbraw/zinc/09/33/27/946093327.db2.gz MXCGGFWELYYGOD-UHFFFAOYSA-N -1 3 368.426 1.684 20 50 FDGDHM Cc1nc(N)sc1C(=O)NN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000822449738 946093335 /nfs/dbraw/zinc/09/33/35/946093335.db2.gz MXCGGFWELYYGOD-UHFFFAOYSA-N -1 3 368.426 1.684 20 50 FDGDHM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000822492122 946106046 /nfs/dbraw/zinc/10/60/46/946106046.db2.gz RKYPCVVVEXGITB-JTQLQIEISA-N -1 3 369.433 1.474 20 50 FDGDHM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000822492122 946106059 /nfs/dbraw/zinc/10/60/59/946106059.db2.gz RKYPCVVVEXGITB-JTQLQIEISA-N -1 3 369.433 1.474 20 50 FDGDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NNC(=S)Nc1ccccn1 ZINC000822928432 946220001 /nfs/dbraw/zinc/22/00/01/946220001.db2.gz IHRXZARJJPBVHX-CMDGGOBGSA-N -1 3 366.410 1.293 20 50 FDGDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NNC(=S)Nc1ccccn1 ZINC000822928432 946220011 /nfs/dbraw/zinc/22/00/11/946220011.db2.gz IHRXZARJJPBVHX-CMDGGOBGSA-N -1 3 366.410 1.293 20 50 FDGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=Cc1cccc2nccn21 ZINC000823037209 946287091 /nfs/dbraw/zinc/28/70/91/946287091.db2.gz UHHTXWBUXHQDBK-UHFFFAOYSA-N -1 3 362.353 1.044 20 50 FDGDHM O=C(NNC(=O)[C@H]1C[C@]12CCc1ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000823273151 946375901 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FDGDHM O=C(NNc1cccc2c1CCCC2)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826449432 609255020 /nfs/dbraw/zinc/25/50/20/609255020.db2.gz SJMNUXNLKAATBH-KRWDZBQOSA-N -1 3 364.409 1.922 20 50 FDGDHM O=C(NNc1cccc2c1CCCC2)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826449432 609255021 /nfs/dbraw/zinc/25/50/21/609255021.db2.gz SJMNUXNLKAATBH-KRWDZBQOSA-N -1 3 364.409 1.922 20 50 FDGDHM COC1(CNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CCC1 ZINC000826143799 609262615 /nfs/dbraw/zinc/26/26/15/609262615.db2.gz PYGJRRHRICHCGI-QPEQYQDCSA-N -1 3 355.402 1.106 20 50 FDGDHM COC1(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CCC1 ZINC000826143799 609262616 /nfs/dbraw/zinc/26/26/16/609262616.db2.gz PYGJRRHRICHCGI-QPEQYQDCSA-N -1 3 355.402 1.106 20 50 FDGDHM Cn1cc(C=C(C#N)S(C)(=O)=O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359296 609308034 /nfs/dbraw/zinc/30/80/34/609308034.db2.gz BQRNJONCWSMWTR-QPEQYQDCSA-N -1 3 355.383 1.176 20 50 FDGDHM Cn1cc(C=C(C#N)S(C)(=O)=O)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359296 609308036 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O=C(CSCc1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737936486 945163222 /nfs/dbraw/zinc/16/32/22/945163222.db2.gz RDZUBOXPINXDNH-UHFFFAOYSA-N -1 3 368.422 1.561 20 50 FDGDHM O=C(NCc1cc(F)ccc1F)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738102112 945190870 /nfs/dbraw/zinc/19/08/70/945190870.db2.gz PTTRYCXKNSDLOQ-UHFFFAOYSA-N -1 3 373.323 1.289 20 50 FDGDHM O=C(NCc1cc(F)ccc1F)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738102112 945190878 /nfs/dbraw/zinc/19/08/78/945190878.db2.gz PTTRYCXKNSDLOQ-UHFFFAOYSA-N -1 3 373.323 1.289 20 50 FDGDHM O=C(NCc1ccc(F)cc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738102728 945191311 /nfs/dbraw/zinc/19/13/11/945191311.db2.gz AXQPLMYEXBTUCN-UHFFFAOYSA-N -1 3 355.333 1.150 20 50 FDGDHM O=C(NCc1ccc(F)cc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738102728 945191314 /nfs/dbraw/zinc/19/13/14/945191314.db2.gz AXQPLMYEXBTUCN-UHFFFAOYSA-N -1 3 355.333 1.150 20 50 FDGDHM O=C(NN=Cc1cccc2c1OCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000738129677 945204952 /nfs/dbraw/zinc/20/49/52/945204952.db2.gz 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CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNc1nccnc1Cl ZINC000820001525 945324492 /nfs/dbraw/zinc/32/44/92/945324492.db2.gz QZVPEFLHERQJQP-UHFFFAOYSA-N -1 3 374.792 1.611 20 50 FDGDHM CC(=NNC(=O)C1CC1)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735446690 944653534 /nfs/dbraw/zinc/65/35/34/944653534.db2.gz DHAUPYKFFOREMG-UHFFFAOYSA-N -1 3 350.386 1.611 20 50 FDGDHM C[C@H](C#N)Oc1ccc(C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735506638 944669664 /nfs/dbraw/zinc/66/96/64/944669664.db2.gz XXZWWLMEQVHHJZ-GFCCVEGCSA-N -1 3 361.365 1.921 20 50 FDGDHM C[C@H](C#N)Oc1ccc(C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735506638 944669670 /nfs/dbraw/zinc/66/96/70/944669670.db2.gz XXZWWLMEQVHHJZ-GFCCVEGCSA-N -1 3 361.365 1.921 20 50 FDGDHM CC(C)C(=O)NNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735685724 944692605 /nfs/dbraw/zinc/69/26/05/944692605.db2.gz ZSHFLEHGCCZSDH-UHFFFAOYSA-N -1 3 367.369 1.471 20 50 FDGDHM CC(C)C(=O)NNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735685724 944692609 /nfs/dbraw/zinc/69/26/09/944692609.db2.gz ZSHFLEHGCCZSDH-UHFFFAOYSA-N -1 3 367.369 1.471 20 50 FDGDHM CC(C)n1nccc1NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735963956 944728191 /nfs/dbraw/zinc/72/81/91/944728191.db2.gz RWTJRMNHNLEQIT-UHFFFAOYSA-N -1 3 355.362 1.111 20 50 FDGDHM CC(C)n1nccc1NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735963956 944728197 /nfs/dbraw/zinc/72/81/97/944728197.db2.gz RWTJRMNHNLEQIT-UHFFFAOYSA-N -1 3 355.362 1.111 20 50 FDGDHM C[C@H]1CCC[C@H](OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736260495 944777766 /nfs/dbraw/zinc/77/77/66/944777766.db2.gz HXGNUMKBRBATBC-FZMZJTMJSA-N -1 3 358.402 1.223 20 50 FDGDHM C[C@H]1CCC[C@H](OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736260495 944777769 /nfs/dbraw/zinc/77/77/69/944777769.db2.gz HXGNUMKBRBATBC-FZMZJTMJSA-N -1 3 358.402 1.223 20 50 FDGDHM CCCOc1cccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000736492749 944832777 /nfs/dbraw/zinc/83/27/77/944832777.db2.gz OGSQBWXWUGWKBJ-UHFFFAOYSA-N -1 3 366.381 1.730 20 50 FDGDHM CCCOc1cccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000736492749 944832782 /nfs/dbraw/zinc/83/27/82/944832782.db2.gz OGSQBWXWUGWKBJ-UHFFFAOYSA-N -1 3 366.381 1.730 20 50 FDGDHM CCNC(=O)NNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736575833 944846316 /nfs/dbraw/zinc/84/63/16/944846316.db2.gz KSCKMTCKCMBGCG-UHFFFAOYSA-N -1 3 368.357 1.018 20 50 FDGDHM CCNC(=O)NNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736575833 944846323 /nfs/dbraw/zinc/84/63/23/944846323.db2.gz KSCKMTCKCMBGCG-UHFFFAOYSA-N -1 3 368.357 1.018 20 50 FDGDHM COC(=O)[C@H](NNC(=O)CC1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900567 944909257 /nfs/dbraw/zinc/90/92/57/944909257.db2.gz YWPOSLJVJQKKFZ-OAHLLOKOSA-N -1 3 358.402 1.282 20 50 FDGDHM COC(=O)[C@H](NNC(=O)CC1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900567 944909261 /nfs/dbraw/zinc/90/92/61/944909261.db2.gz YWPOSLJVJQKKFZ-OAHLLOKOSA-N -1 3 358.402 1.282 20 50 FDGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000737194897 944980926 /nfs/dbraw/zinc/98/09/26/944980926.db2.gz UFFHLIXAMWKONQ-LLVKDONJSA-N -1 3 351.370 1.572 20 50 FDGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000737194897 944980932 /nfs/dbraw/zinc/98/09/32/944980932.db2.gz UFFHLIXAMWKONQ-LLVKDONJSA-N -1 3 351.370 1.572 20 50 FDGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCC[C@H](O)C2)cc(-c2nnn[n-]2)n1C ZINC000737213455 945004761 /nfs/dbraw/zinc/00/47/61/945004761.db2.gz SXRBAXLZZMAFKL-PMOLXROHSA-N -1 3 369.429 1.088 20 50 FDGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCC[C@H](O)C2)cc(-c2nn[n-]n2)n1C ZINC000737213455 945004774 /nfs/dbraw/zinc/00/47/74/945004774.db2.gz SXRBAXLZZMAFKL-PMOLXROHSA-N -1 3 369.429 1.088 20 50 FDGDHM Cc1c(NNC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000737217896 945014332 /nfs/dbraw/zinc/01/43/32/945014332.db2.gz FMLAGCDKKPTDQX-UHFFFAOYSA-N -1 3 368.357 1.910 20 50 FDGDHM Cc1c(NNC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000737217896 945014339 /nfs/dbraw/zinc/01/43/39/945014339.db2.gz FMLAGCDKKPTDQX-UHFFFAOYSA-N -1 3 368.357 1.910 20 50 FDGDHM Cc1ccc(C(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)cc1F ZINC000737311702 945033991 /nfs/dbraw/zinc/03/39/91/945033991.db2.gz BWBWOTUILRNGCR-UHFFFAOYSA-N -1 3 370.344 1.154 20 50 FDGDHM Cc1ccc(C(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)cc1F ZINC000737311702 945034001 /nfs/dbraw/zinc/03/40/01/945034001.db2.gz BWBWOTUILRNGCR-UHFFFAOYSA-N -1 3 370.344 1.154 20 50 FDGDHM C[C@H](OC1CCCCCC1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518643 945473184 /nfs/dbraw/zinc/47/31/84/945473184.db2.gz IDEAOVXTCKUZBF-LBPRGKRZSA-N -1 3 372.429 1.756 20 50 FDGDHM C[C@H](OC1CCCCCC1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518643 945473190 /nfs/dbraw/zinc/47/31/90/945473190.db2.gz IDEAOVXTCKUZBF-LBPRGKRZSA-N -1 3 372.429 1.756 20 50 FDGDHM CCC(=O)N[C@H](C)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820838693 945568839 /nfs/dbraw/zinc/56/88/39/945568839.db2.gz ZUALJDFXXQKOBX-SSDOTTSWSA-N -1 3 371.323 1.243 20 50 FDGDHM CCC(=O)N[C@H](C)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820838693 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COc1ccc2c(c1)OC[C@@H](C(=O)NNc1cccc(-c3nn[n-]n3)c1)C2 ZINC000826212916 607717161 /nfs/dbraw/zinc/71/71/61/607717161.db2.gz FNLILDOSQZCQPI-ZDUSSCGKSA-N -1 3 366.381 1.570 20 50 FDGDHM Cc1ccc(-c2cc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)[nH]n2)o1 ZINC000826273240 607726079 /nfs/dbraw/zinc/72/60/79/607726079.db2.gz VEVSTMPRDJGJHL-UHFFFAOYSA-N -1 3 350.342 1.915 20 50 FDGDHM Cc1ccc(-c2cc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)[nH]n2)o1 ZINC000826273240 607726081 /nfs/dbraw/zinc/72/60/81/607726081.db2.gz VEVSTMPRDJGJHL-UHFFFAOYSA-N -1 3 350.342 1.915 20 50 FDGDHM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)[C@@H](C)CN1C[C@@H](C)O[C@H](C)C1 ZINC000833623299 605039333 /nfs/dbraw/zinc/03/93/33/605039333.db2.gz JVHSJDSTOJSCKN-GBJTYRQASA-N -1 3 364.446 1.329 20 50 FDGDHM CC(=O)c1cccc(O[C@H](C)C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824029170 607732470 /nfs/dbraw/zinc/73/24/70/607732470.db2.gz GLRFFNQTIUSLRK-GFCCVEGCSA-N -1 3 366.381 1.980 20 50 FDGDHM CC(=O)c1cccc(O[C@H](C)C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824029170 607732471 /nfs/dbraw/zinc/73/24/71/607732471.db2.gz GLRFFNQTIUSLRK-GFCCVEGCSA-N -1 3 366.381 1.980 20 50 FDGDHM Cc1c(C=C(C#N)C(=O)OCc2nccc(C)n2)cc(-c2nnn[n-]2)n1C ZINC000826308848 607914585 /nfs/dbraw/zinc/91/45/85/607914585.db2.gz SDRHAJGIDMQJHQ-MLPAPPSSSA-N -1 3 364.369 1.262 20 50 FDGDHM Cc1c(C=C(C#N)C(=O)OCc2nccc(C)n2)cc(-c2nn[n-]n2)n1C ZINC000826308848 607914586 /nfs/dbraw/zinc/91/45/86/607914586.db2.gz SDRHAJGIDMQJHQ-MLPAPPSSSA-N -1 3 364.369 1.262 20 50 FDGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)c2cn[nH]c2)cc(-c2nnn[n-]2)n1C ZINC000826235680 607955810 /nfs/dbraw/zinc/95/58/10/607955810.db2.gz OVGICLHINXJTNO-JIGMTCFASA-N -1 3 351.374 1.021 20 50 FDGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)c2cn[nH]c2)cc(-c2nn[n-]n2)n1C ZINC000826235680 607955811 /nfs/dbraw/zinc/95/58/11/607955811.db2.gz OVGICLHINXJTNO-JIGMTCFASA-N -1 3 351.374 1.021 20 50 FDGDHM Cc1c(C=C(C#N)C(=O)NCc2cncc(C)c2)cc(-c2nn[n-]n2)n1C ZINC000826319022 608076384 /nfs/dbraw/zinc/07/63/84/608076384.db2.gz LFFPEPGUVRVFIH-WCSRMQSCSA-N -1 3 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FDGDHM C[C@H]1Cc2ccccc2C1=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820813813 945558687 /nfs/dbraw/zinc/55/86/87/945558687.db2.gz NIXWSETUBLPFIE-LBPRGKRZSA-N -1 3 362.393 1.958 20 50 FDGDHM CCC(=NNC(=O)COc1ccccc1-c1nnn[n-]1)C1CCOCC1 ZINC000820832591 945565177 /nfs/dbraw/zinc/56/51/77/945565177.db2.gz MCGRQYSQEZLEJF-UHFFFAOYSA-N -1 3 358.402 1.554 20 50 FDGDHM CCC(=NNC(=O)COc1ccccc1-c1nn[n-]n1)C1CCOCC1 ZINC000820832591 945565187 /nfs/dbraw/zinc/56/51/87/945565187.db2.gz MCGRQYSQEZLEJF-UHFFFAOYSA-N -1 3 358.402 1.554 20 50 FDGDHM CCC(CC)NC(=O)C(=O)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000820897494 945583706 /nfs/dbraw/zinc/58/37/06/945583706.db2.gz GYYVURRYNMZNNA-UHFFFAOYSA-N -1 3 369.429 1.328 20 50 FDGDHM CCC(CC)NC(=O)C(=O)NN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000820897494 945583713 /nfs/dbraw/zinc/58/37/13/945583713.db2.gz GYYVURRYNMZNNA-UHFFFAOYSA-N -1 3 369.429 1.328 20 50 FDGDHM CC[C@@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCOCC1 ZINC000820920442 945590135 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FDGDHM CC(C)(C)n1cc(C(=O)C(=O)NNc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000824148568 607725495 /nfs/dbraw/zinc/72/54/95/607725495.db2.gz ZZRYOKCMNCOQQM-UHFFFAOYSA-N -1 3 354.374 1.144 20 50 FDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCN1Cc1ccccn1 ZINC000826448327 607727099 /nfs/dbraw/zinc/72/70/99/607727099.db2.gz QYMRWQDWMMRXGR-INIZCTEOSA-N -1 3 364.413 1.369 20 50 FDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCN1Cc1ccccn1 ZINC000826448327 607727102 /nfs/dbraw/zinc/72/71/02/607727102.db2.gz QYMRWQDWMMRXGR-INIZCTEOSA-N -1 3 364.413 1.369 20 50 FDGDHM C=CCCOCCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000823899133 607944565 /nfs/dbraw/zinc/94/45/65/607944565.db2.gz MYVJDRKJSQGRHI-NTEUORMPSA-N -1 3 355.402 1.130 20 50 FDGDHM C=CCCOCCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000823899133 607944566 /nfs/dbraw/zinc/94/45/66/607944566.db2.gz MYVJDRKJSQGRHI-NTEUORMPSA-N -1 3 355.402 1.130 20 50 FDGDHM Cc1c(C=C(C#N)C(=O)Nc2nc3cc[nH]cc-3n2)cc(-c2nnn[n-]2)n1C ZINC000826235565 608077121 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/nfs/dbraw/zinc/88/61/82/607886182.db2.gz QVYHKFSTRKHSLB-UHFFFAOYSA-N -1 3 370.394 1.034 20 50 FDGDHM CS(=O)(=O)c1cccc(C(=O)NN=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826224150 607886183 /nfs/dbraw/zinc/88/61/83/607886183.db2.gz QVYHKFSTRKHSLB-UHFFFAOYSA-N -1 3 370.394 1.034 20 50 FDGDHM CC(=NNC(=O)COc1ccccc1-c1nnn[n-]1)c1cnc(C)s1 ZINC000823948569 608053707 /nfs/dbraw/zinc/05/37/07/608053707.db2.gz SKARWOWQAJEXNZ-UHFFFAOYSA-N -1 3 357.399 1.551 20 50 FDGDHM CC(=NNC(=O)COc1ccccc1-c1nn[n-]n1)c1cnc(C)s1 ZINC000823948569 608053708 /nfs/dbraw/zinc/05/37/08/608053708.db2.gz SKARWOWQAJEXNZ-UHFFFAOYSA-N -1 3 357.399 1.551 20 50 FDGDHM CC1(C)CC[C@@H](NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824803771 608622374 /nfs/dbraw/zinc/62/23/74/608622374.db2.gz XCZHSCCOSQXYSC-GFCCVEGCSA-N -1 3 373.417 1.155 20 50 FDGDHM CN1CCOc2ccc(NC(=O)NNc3cccc(-c4nnn[n-]4)c3)cc21 ZINC000826045090 608814181 /nfs/dbraw/zinc/81/41/81/608814181.db2.gz PANLJUZBGSBZHH-UHFFFAOYSA-N -1 3 366.385 1.844 20 50 FDGDHM CN1CCOc2ccc(NC(=O)NNc3cccc(-c4nn[n-]n4)c3)cc21 ZINC000826045090 608814182 /nfs/dbraw/zinc/81/41/82/608814182.db2.gz PANLJUZBGSBZHH-UHFFFAOYSA-N -1 3 366.385 1.844 20 50 FDGDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC=C(C#N)CC1 ZINC000824207158 609164394 /nfs/dbraw/zinc/16/43/94/609164394.db2.gz QRESNWHNQBVBAZ-INIZCTEOSA-N -1 3 352.398 1.952 20 50 FDGDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC=C(C#N)CC1 ZINC000824207158 609164396 /nfs/dbraw/zinc/16/43/96/609164396.db2.gz QRESNWHNQBVBAZ-INIZCTEOSA-N -1 3 352.398 1.952 20 50 FDGDHM CC(C)CCCSCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824243562 609181702 /nfs/dbraw/zinc/18/17/02/609181702.db2.gz JBYQPKNOKOLDJK-UHFFFAOYSA-N -1 3 362.459 1.797 20 50 FDGDHM CC(C)CCCSCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824243562 609181704 /nfs/dbraw/zinc/18/17/04/609181704.db2.gz JBYQPKNOKOLDJK-UHFFFAOYSA-N -1 3 362.459 1.797 20 50 FDGDHM Cc1c(NNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000826243006 609254405 /nfs/dbraw/zinc/25/44/05/609254405.db2.gz PNJNPFVJVIAKKK-CQSZACIVSA-N -1 3 369.341 1.260 20 50 FDGDHM Cc1c(NNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826243006 609254407 /nfs/dbraw/zinc/25/44/07/609254407.db2.gz PNJNPFVJVIAKKK-CQSZACIVSA-N -1 3 369.341 1.260 20 50 FDGDHM Cn1cc(C=C(C#N)C(N)=C(C#N)C#N)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359524 609303057 /nfs/dbraw/zinc/30/30/57/609303057.db2.gz JLJHAGKRONRNLI-AWNIVKPZSA-N -1 3 368.364 1.434 20 50 FDGDHM Cn1cc(C=C(C#N)C(N)=C(C#N)C#N)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359524 609303058 /nfs/dbraw/zinc/30/30/58/609303058.db2.gz JLJHAGKRONRNLI-AWNIVKPZSA-N -1 3 368.364 1.434 20 50 FDGDHM CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000823948222 609307404 /nfs/dbraw/zinc/30/74/04/609307404.db2.gz HZVKERJDRLKFBY-UHFFFAOYSA-N -1 3 359.390 1.232 20 50 FDGDHM CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000823948222 609307406 /nfs/dbraw/zinc/30/74/06/609307406.db2.gz HZVKERJDRLKFBY-UHFFFAOYSA-N -1 3 359.390 1.232 20 50 FDGDHM O=C(NC[C@H]1CCCCS1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826435625 609606924 /nfs/dbraw/zinc/60/69/24/609606924.db2.gz SLVBYMDTZHGDFC-GFCCVEGCSA-N -1 3 361.431 1.096 20 50 FDGDHM O=C(NC[C@H]1CCCCS1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826435625 609606926 /nfs/dbraw/zinc/60/69/26/609606926.db2.gz SLVBYMDTZHGDFC-GFCCVEGCSA-N -1 3 361.431 1.096 20 50 FDGDHM