smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000004337541 537039553 /nfs/dbraw/zinc/03/95/53/537039553.db2.gz JZGCRMVGPLXFES-UHFFFAOYSA-N -1 1 353.400 -0.386 20 0 FBADMM Cn1c2ccccc2nc1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000007322787 484134243 /nfs/dbraw/zinc/13/42/43/484134243.db2.gz UMUQLGYEHBWNOS-UHFFFAOYSA-N -1 1 363.399 -0.551 20 0 FBADMM CCC(Nc1cccc(S(N)(=O)=O)c1)=C1C(=O)[N-]C(=S)NC1=O ZINC000009771583 661333501 /nfs/dbraw/zinc/33/35/01/661333501.db2.gz CXYFOSVTEFMLPA-UHFFFAOYSA-N -1 1 354.413 -0.059 20 0 FBADMM COc1ccc(NC(C)=C2C(=O)[N-]C(=S)NC2=O)cc1S(N)(=O)=O ZINC000009772205 661333488 /nfs/dbraw/zinc/33/34/88/661333488.db2.gz FESGWJDHEUUKTI-UHFFFAOYSA-N -1 1 370.412 -0.441 20 0 FBADMM CNS(=O)(=O)c1ccc(NC(C)=C2C(=O)[N-]C(=S)NC2=O)cc1 ZINC000009876312 661335342 /nfs/dbraw/zinc/33/53/42/661335342.db2.gz RLNKULCQIJWRPE-UHFFFAOYSA-N -1 1 354.413 -0.189 20 0 FBADMM CCn1nccc1NC(=C1C(=O)[N-]C(=S)NC1=O)[C@H](F)C(=O)OC ZINC000009950212 661336146 /nfs/dbraw/zinc/33/61/46/661336146.db2.gz LQYMDJAJYMDIQO-QMMMGPOBSA-N -1 1 355.351 -0.389 20 0 FBADMM CCn1nccc1NC(=C1C(=O)[N-]C(=S)NC1=O)[C@@H](F)C(=O)OC ZINC000009950214 661336066 /nfs/dbraw/zinc/33/60/66/661336066.db2.gz LQYMDJAJYMDIQO-MRVPVSSYSA-N -1 1 355.351 -0.389 20 0 FBADMM COC(=O)[C@@H](F)C(Nc1cc(C)nn1C)=C1C(=O)[N-]C(=S)NC1=O ZINC000010383903 661342946 /nfs/dbraw/zinc/34/29/46/661342946.db2.gz ZZJFOWSQLBUQOE-QMMMGPOBSA-N -1 1 355.351 -0.563 20 0 FBADMM COC(=O)[C@H](F)C(Nc1cc(C)nn1C)=C1C(=O)[N-]C(=S)NC1=O ZINC000010383905 661343138 /nfs/dbraw/zinc/34/31/38/661343138.db2.gz ZZJFOWSQLBUQOE-MRVPVSSYSA-N -1 1 355.351 -0.563 20 0 FBADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000010993963 661351288 /nfs/dbraw/zinc/35/12/88/661351288.db2.gz MMUOEDUBTIDPRL-LLVKDONJSA-N -1 1 355.368 -0.071 20 0 FBADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000010993988 661351588 /nfs/dbraw/zinc/35/15/88/661351588.db2.gz MMUOEDUBTIDPRL-NSHDSACASA-N -1 1 355.368 -0.071 20 0 FBADMM CNC(=O)c1ccc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000013239462 484543510 /nfs/dbraw/zinc/54/35/10/484543510.db2.gz MQBMYVGATSNSIT-LBPRGKRZSA-N -1 1 352.372 -0.257 20 0 FBADMM C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc2c(c1)OCO2 ZINC000014211036 210152847 /nfs/dbraw/zinc/15/28/47/210152847.db2.gz QGMPWPOUJPIEIS-SECBINFHSA-N -1 1 367.383 -0.148 20 0 FBADMM C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc2c(c1)OCO2 ZINC000014211038 220117163 /nfs/dbraw/zinc/11/71/63/220117163.db2.gz QGMPWPOUJPIEIS-VIFPVBQESA-N -1 1 367.383 -0.148 20 0 FBADMM Cn1cc(S(=O)(=O)[N-]CCc2cn3ccccc3n2)c(=O)n(C)c1=O ZINC000014899502 243110347 /nfs/dbraw/zinc/11/03/47/243110347.db2.gz WIGCVXJVEXHHEO-UHFFFAOYSA-N -1 1 363.399 -0.747 20 0 FBADMM Cn1cc(S(=O)(=O)[N-]CC(=O)OCc2ccccc2)c(=O)n(C)c1=O ZINC000015326267 484359824 /nfs/dbraw/zinc/35/98/24/484359824.db2.gz ANXYOKMPQGMXFM-UHFFFAOYSA-N -1 1 367.383 -0.894 20 0 FBADMM Cc1ccc(OCC[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000015327673 484359705 /nfs/dbraw/zinc/35/97/05/484359705.db2.gz OFUBUHHRWJPNLE-UHFFFAOYSA-N -1 1 353.400 -0.250 20 0 FBADMM COc1ccccc1OCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000015327678 660477051 /nfs/dbraw/zinc/47/70/51/660477051.db2.gz QSGWOBMLDRMWBR-UHFFFAOYSA-N -1 1 369.399 -0.550 20 0 FBADMM CN(CCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000015331212 483474052 /nfs/dbraw/zinc/47/40/52/483474052.db2.gz AUIPWWGBWJGGFI-UHFFFAOYSA-N -1 1 366.443 -0.111 20 0 FBADMM COc1ccc(C)cc1CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000015357593 484359650 /nfs/dbraw/zinc/35/96/50/484359650.db2.gz CROIWNGVCGVKJE-UHFFFAOYSA-N -1 1 367.427 -0.078 20 0 FBADMM COc1ccc(OCC[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000015357896 660477366 /nfs/dbraw/zinc/47/73/66/660477366.db2.gz ZRGOQSMMTOGMIQ-UHFFFAOYSA-N -1 1 369.399 -0.550 20 0 FBADMM COc1ccc(C(=O)[N-]C(=O)CN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000015400869 484359737 /nfs/dbraw/zinc/35/97/37/484359737.db2.gz IZNKQXYRJYYIRK-UHFFFAOYSA-N -1 1 355.416 -0.471 20 0 FBADMM CN(CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000016737605 660525572 /nfs/dbraw/zinc/52/55/72/660525572.db2.gz OTNOXQTVCLEPNO-UHFFFAOYSA-N -1 1 352.416 -0.501 20 0 FBADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC(C(N)=O)C(N)=O)cc1 ZINC000023388350 483497562 /nfs/dbraw/zinc/49/75/62/483497562.db2.gz PZHUXMURFHMQEX-UHFFFAOYSA-N -1 1 362.415 -0.238 20 0 FBADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NC(C(N)=O)C(N)=O)c1 ZINC000023388352 484367534 /nfs/dbraw/zinc/36/75/34/484367534.db2.gz RWNXEQBFPQICCS-UHFFFAOYSA-N -1 1 362.415 -0.238 20 0 FBADMM COc1ccc(OC)c(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000024452697 484369402 /nfs/dbraw/zinc/36/94/02/484369402.db2.gz VHDJRKGDUHGXEZ-UHFFFAOYSA-N -1 1 369.399 -0.420 20 0 FBADMM COC(=O)CCCCCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000024476439 483499639 /nfs/dbraw/zinc/49/96/39/483499639.db2.gz HIVOUNZFJYKPJW-UHFFFAOYSA-N -1 1 361.420 -0.514 20 0 FBADMM COC(=O)C1([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCCCC1 ZINC000024484028 483499623 /nfs/dbraw/zinc/49/96/23/483499623.db2.gz VKGXOEKJEKYIIP-UHFFFAOYSA-N -1 1 359.404 -0.762 20 0 FBADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(c3cnccn3)CC2)o1 ZINC000024618180 483499366 /nfs/dbraw/zinc/49/93/66/483499366.db2.gz QXOOLHRLYUSVNO-UHFFFAOYSA-N -1 1 351.388 -0.060 20 0 FBADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cccc(S(N)(=O)=O)c2)o1 ZINC000025273082 484384170 /nfs/dbraw/zinc/38/41/70/484384170.db2.gz DAJBSKPACXZGPY-UHFFFAOYSA-N -1 1 373.412 -0.235 20 0 FBADMM CC(=O)Nc1ccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000025374417 483876263 /nfs/dbraw/zinc/87/62/63/483876263.db2.gz OPHZUGHBVUTRBM-UHFFFAOYSA-N -1 1 366.399 -0.479 20 0 FBADMM O=C(NN1CC(=O)[N-]C1=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000025612360 658689888 /nfs/dbraw/zinc/68/98/88/658689888.db2.gz NRQKAJPJKHZTDW-UHFFFAOYSA-N -1 1 366.399 -0.330 20 0 FBADMM O=C(NN1CC(=O)[N-]C1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000025612582 658689944 /nfs/dbraw/zinc/68/99/44/658689944.db2.gz HKFRTYXHFVXAEZ-UHFFFAOYSA-N -1 1 352.372 -0.332 20 0 FBADMM CCN(CC)S(=O)(=O)c1ccc(C(=O)NN2CC(=O)[N-]C2=O)cc1 ZINC000025612605 483500493 /nfs/dbraw/zinc/50/04/93/483500493.db2.gz JOCYYICKTMBVPG-UHFFFAOYSA-N -1 1 354.388 -0.086 20 0 FBADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCC[C@@H](O)C1 ZINC000026240433 839732966 /nfs/dbraw/zinc/73/29/66/839732966.db2.gz QTQIAGIWPOVLSE-CYBMUJFWSA-N -1 1 350.419 -0.169 20 0 FBADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCC[C@H](O)C1 ZINC000026240438 839733051 /nfs/dbraw/zinc/73/30/51/839733051.db2.gz QTQIAGIWPOVLSE-ZDUSSCGKSA-N -1 1 350.419 -0.169 20 0 FBADMM Cn1cc(S(N)(=O)=O)cc1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000026266027 661575529 /nfs/dbraw/zinc/57/55/29/661575529.db2.gz XTBCYUKQBQHXNL-UHFFFAOYSA-N -1 1 365.367 -0.214 20 0 FBADMM Cn1ncc2c1CCC[C@@H]2[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000026851227 483450008 /nfs/dbraw/zinc/45/00/08/483450008.db2.gz SGLGQEYKVIENMZ-JTQLQIEISA-N -1 1 353.404 -0.827 20 0 FBADMM Cn1ncc2c1CCC[C@H]2[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000026851231 483449386 /nfs/dbraw/zinc/44/93/86/483449386.db2.gz SGLGQEYKVIENMZ-SNVBAGLBSA-N -1 1 353.404 -0.827 20 0 FBADMM Cn1cc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc3O2)c(=O)n(C)c1=O ZINC000026866847 483463710 /nfs/dbraw/zinc/46/37/10/483463710.db2.gz IAUXOOKRHRMJPB-NSHDSACASA-N -1 1 351.384 -0.634 20 0 FBADMM Cn1cc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc3O2)c(=O)n(C)c1=O ZINC000026866855 484425510 /nfs/dbraw/zinc/42/55/10/484425510.db2.gz IAUXOOKRHRMJPB-LLVKDONJSA-N -1 1 351.384 -0.634 20 0 FBADMM COCc1ccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000026971489 484391730 /nfs/dbraw/zinc/39/17/30/484391730.db2.gz MRZKCNTYZRWQQJ-UHFFFAOYSA-N -1 1 353.400 -0.291 20 0 FBADMM CC(C)C(=O)N1CCC([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000028053823 483783758 /nfs/dbraw/zinc/78/37/58/483783758.db2.gz QWCWPKSGOBDCSL-UHFFFAOYSA-N -1 1 372.447 -0.991 20 0 FBADMM COCc1ccccc1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000028055571 483784570 /nfs/dbraw/zinc/78/45/70/483784570.db2.gz RNFJLTMKBPLYBR-UHFFFAOYSA-N -1 1 353.400 -0.291 20 0 FBADMM COc1ccc(C)cc1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000028321053 484199359 /nfs/dbraw/zinc/19/93/59/484199359.db2.gz UQEZBXQGONUJMW-UHFFFAOYSA-N -1 1 353.400 -0.120 20 0 FBADMM Cn1cc(S(=O)(=O)[N-]CCOc2ccc(F)cc2)c(=O)n(C)c1=O ZINC000028333046 483832215 /nfs/dbraw/zinc/83/22/15/483832215.db2.gz FWQTVOIYYHZBFA-UHFFFAOYSA-N -1 1 357.363 -0.420 20 0 FBADMM O=C1[N-]C(=S)NC(=O)C1=CNNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000028966002 658997403 /nfs/dbraw/zinc/99/74/03/658997403.db2.gz OJKJJYDNWXFPEV-UHFFFAOYSA-N -1 1 371.356 -0.367 20 0 FBADMM O=C1[N-]C(=S)NC(=O)/C1=C/NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000028966002 658997402 /nfs/dbraw/zinc/99/74/02/658997402.db2.gz OJKJJYDNWXFPEV-UHFFFAOYSA-N -1 1 371.356 -0.367 20 0 FBADMM O=C1[N-]C(=S)NC(=O)/C1=C\NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000028966002 658997397 /nfs/dbraw/zinc/99/73/97/658997397.db2.gz OJKJJYDNWXFPEV-UHFFFAOYSA-N -1 1 371.356 -0.367 20 0 FBADMM O=C(NNC=C1C(=O)[N-]C(=S)NC1=O)c1ccc(-n2cnnn2)cc1 ZINC000028978956 658997543 /nfs/dbraw/zinc/99/75/43/658997543.db2.gz AZLDQIAGDVTXOO-UHFFFAOYSA-N -1 1 358.343 -0.848 20 0 FBADMM O=C(NN/C=C1\C(=O)[N-]C(=S)NC1=O)c1ccc(-n2cnnn2)cc1 ZINC000028978956 658997542 /nfs/dbraw/zinc/99/75/42/658997542.db2.gz AZLDQIAGDVTXOO-UHFFFAOYSA-N -1 1 358.343 -0.848 20 0 FBADMM O=C(NN/C=C1/C(=O)[N-]C(=S)NC1=O)c1ccc(-n2cnnn2)cc1 ZINC000028978956 658997536 /nfs/dbraw/zinc/99/75/36/658997536.db2.gz AZLDQIAGDVTXOO-UHFFFAOYSA-N -1 1 358.343 -0.848 20 0 FBADMM Cn1c(CC(=O)NNC=C2C(=O)[N-]C(=S)NC2=O)nc2ccccc21 ZINC000028979722 660398489 /nfs/dbraw/zinc/39/84/89/660398489.db2.gz FMUJXXVDRUSBJQ-UHFFFAOYSA-N -1 1 358.383 -0.008 20 0 FBADMM Cn1c(CC(=O)NN/C=C2\C(=O)[N-]C(=S)NC2=O)nc2ccccc21 ZINC000028979722 660398487 /nfs/dbraw/zinc/39/84/87/660398487.db2.gz FMUJXXVDRUSBJQ-UHFFFAOYSA-N -1 1 358.383 -0.008 20 0 FBADMM Cn1c(CC(=O)NN/C=C2/C(=O)[N-]C(=S)NC2=O)nc2ccccc21 ZINC000028979722 660398485 /nfs/dbraw/zinc/39/84/85/660398485.db2.gz FMUJXXVDRUSBJQ-UHFFFAOYSA-N -1 1 358.383 -0.008 20 0 FBADMM O=C1[N-]C(=S)NC(=O)C1=CNNC1=NS(=O)(=O)c2ccccc21 ZINC000028996953 658998489 /nfs/dbraw/zinc/99/84/89/658998489.db2.gz NMWQATGNLRRHJG-UHFFFAOYSA-N -1 1 351.369 -0.515 20 0 FBADMM O=C1[N-]C(=S)NC(=O)/C1=C/NNC1=NS(=O)(=O)c2ccccc21 ZINC000028996953 658998485 /nfs/dbraw/zinc/99/84/85/658998485.db2.gz NMWQATGNLRRHJG-UHFFFAOYSA-N -1 1 351.369 -0.515 20 0 FBADMM O=C1[N-]C(=S)NC(=O)/C1=C\NNC1=NS(=O)(=O)c2ccccc21 ZINC000028996953 658998481 /nfs/dbraw/zinc/99/84/81/658998481.db2.gz NMWQATGNLRRHJG-UHFFFAOYSA-N -1 1 351.369 -0.515 20 0 FBADMM Cc1ccc(S(=O)(=O)NCCC(=O)NN2CC(=O)[N-]C2=O)cc1C ZINC000029017980 661580976 /nfs/dbraw/zinc/58/09/76/661580976.db2.gz UJTRTPYDSYSZIP-UHFFFAOYSA-N -1 1 354.388 -0.445 20 0 FBADMM Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NN2CC(=O)[N-]C2=O)c1 ZINC000029018080 661581092 /nfs/dbraw/zinc/58/10/92/661581092.db2.gz KKWWONNHQWYQDB-UHFFFAOYSA-N -1 1 354.388 -0.445 20 0 FBADMM 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/nfs/dbraw/zinc/68/52/59/484685259.db2.gz UHPLOOHJPZWTMZ-UHFFFAOYSA-N -1 1 359.354 -0.117 20 0 FBADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCn2c(nn(C)c2=O)C1 ZINC000131189338 243177998 /nfs/dbraw/zinc/17/79/98/243177998.db2.gz SYCZAEKRFLDGAS-UHFFFAOYSA-N -1 1 357.374 -0.880 20 0 FBADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCn2c(nn(C)c2=O)C1 ZINC000131468260 243179554 /nfs/dbraw/zinc/17/95/54/243179554.db2.gz CVTUEWNPDATHOI-UHFFFAOYSA-N -1 1 371.401 -0.078 20 0 FBADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(Cc3nccn3C)CC2)co1 ZINC000131930741 243177381 /nfs/dbraw/zinc/17/73/81/243177381.db2.gz UTUONAHOBUPZQY-UHFFFAOYSA-N -1 1 367.431 -0.121 20 0 FBADMM CN(C)c1cccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000133533017 484743827 /nfs/dbraw/zinc/74/38/27/484743827.db2.gz VNQXICLPKLYIIQ-UHFFFAOYSA-N -1 1 352.416 -0.372 20 0 FBADMM Cn1cc(S(=O)(=O)[N-]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c(=O)n(C)c1=O ZINC000134467818 243181190 /nfs/dbraw/zinc/18/11/90/243181190.db2.gz NOJZFLWJPPHOTJ-GUTXKFCHSA-N -1 1 361.423 -0.052 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484051015 /nfs/dbraw/zinc/05/10/15/484051015.db2.gz JSWKTDPRASJSCC-QMMMGPOBSA-N -1 1 356.857 -0.224 20 0 FBADMM CSc1nc(C)c(CCC(=O)NCCN2CCCS2(=O)=O)c(=O)[n-]1 ZINC000147740354 484052739 /nfs/dbraw/zinc/05/27/39/484052739.db2.gz GVQNWAKHGANDFC-UHFFFAOYSA-N -1 1 374.488 -0.115 20 0 FBADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000150737720 243180565 /nfs/dbraw/zinc/18/05/65/243180565.db2.gz XTXXOUVGTFORFZ-UHFFFAOYSA-N -1 1 358.358 -0.782 20 0 FBADMM Cc1nc(CC[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)sc1C ZINC000152182451 243186149 /nfs/dbraw/zinc/18/61/49/243186149.db2.gz JNGBKPQHAQMSLP-UHFFFAOYSA-N -1 1 358.445 -0.322 20 0 FBADMM COCCNC(=O)CN1CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000154224206 660185582 /nfs/dbraw/zinc/18/55/82/660185582.db2.gz SQCIYGPTYYBQPI-UHFFFAOYSA-N -1 1 354.373 -0.565 20 0 FBADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(c3cnn(C)c3)CC2)co1 ZINC000154617505 243192944 /nfs/dbraw/zinc/19/29/44/243192944.db2.gz FTPMYUPSQHOSPJ-UHFFFAOYSA-N -1 1 353.404 -0.116 20 0 FBADMM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000156047340 243193828 /nfs/dbraw/zinc/19/38/28/243193828.db2.gz GDADHAMJLHYVAD-UHFFFAOYSA-N -1 1 356.404 -0.325 20 0 FBADMM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000158750712 243194190 /nfs/dbraw/zinc/19/41/90/243194190.db2.gz QAEANBOFDYXIOB-QMMMGPOBSA-N -1 1 356.404 -0.229 20 0 FBADMM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000158750874 243194013 /nfs/dbraw/zinc/19/40/13/243194013.db2.gz QAEANBOFDYXIOB-MRVPVSSYSA-N -1 1 356.404 -0.229 20 0 FBADMM CCc1nn(C)c(CC)c1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000167635476 243203389 /nfs/dbraw/zinc/20/33/89/243203389.db2.gz OGODDSHICFORAG-UHFFFAOYSA-N -1 1 369.447 -0.579 20 0 FBADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)o1 ZINC000170008258 484416892 /nfs/dbraw/zinc/41/68/92/484416892.db2.gz IWQPXWIMHUNVTI-UHFFFAOYSA-N -1 1 373.412 -0.235 20 0 FBADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC(=O)NCC(F)(F)F ZINC000171638838 243208727 /nfs/dbraw/zinc/20/87/27/243208727.db2.gz BXBPIXIMDZKBGH-UHFFFAOYSA-N -1 1 359.308 -0.023 20 0 FBADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCS(=O)(=O)C[C@@H]1C ZINC000172559861 243208309 /nfs/dbraw/zinc/20/83/09/243208309.db2.gz SOXIFRYHKCRSKG-VIFPVBQESA-N -1 1 352.416 -0.173 20 0 FBADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000172559864 243208677 /nfs/dbraw/zinc/20/86/77/243208677.db2.gz SOXIFRYHKCRSKG-SECBINFHSA-N -1 1 352.416 -0.173 20 0 FBADMM Cc1[nH+]ccn1CCCCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000173310842 243213447 /nfs/dbraw/zinc/21/34/47/243213447.db2.gz DMQLAGSEUBLNDO-UHFFFAOYSA-N -1 1 355.420 -0.652 20 0 FBADMM Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000173474736 243211489 /nfs/dbraw/zinc/21/14/89/243211489.db2.gz HTOPFIWAJVNAGG-SECBINFHSA-N -1 1 369.447 -0.656 20 0 FBADMM Cc1nn(C)c(C)c1C[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000173474748 243213836 /nfs/dbraw/zinc/21/38/36/243213836.db2.gz HTOPFIWAJVNAGG-VIFPVBQESA-N -1 1 369.447 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OLMNBJHDOLHGOY-GFCCVEGCSA-N -1 1 359.448 -0.306 20 0 FBADMM Cn1cc(S(=O)(=O)[N-][C@@H](CCO)C2CCCCC2)c(=O)n(C)c1=O ZINC000269779342 483482511 /nfs/dbraw/zinc/48/25/11/483482511.db2.gz OLMNBJHDOLHGOY-LBPRGKRZSA-N -1 1 359.448 -0.306 20 0 FBADMM Cn1cc(S(=O)(=O)[N-][C@H](CCO)c2ccccc2)c(=O)n(C)c1=O ZINC000269781516 483482894 /nfs/dbraw/zinc/48/28/94/483482894.db2.gz OZDZRJNQGFAREH-GFCCVEGCSA-N -1 1 353.400 -0.514 20 0 FBADMM Cn1cc(S(=O)(=O)[N-]Cc2ccc(CO)c(F)c2)c(=O)n(C)c1=O ZINC000269781861 483482521 /nfs/dbraw/zinc/48/25/21/483482521.db2.gz KPMWFXPRMXVITN-UHFFFAOYSA-N -1 1 357.363 -0.806 20 0 FBADMM Cn1cc(S(=O)(=O)[N-]C[C@](C)(O)c2ccccc2)c(=O)n(C)c1=O ZINC000269790880 483484200 /nfs/dbraw/zinc/48/42/00/483484200.db2.gz QSKLAWULTNLOMZ-HNNXBMFYSA-N -1 1 353.400 -0.730 20 0 FBADMM Cn1cc(S(=O)(=O)[N-]C[C@@](C)(O)c2ccccc2)c(=O)n(C)c1=O ZINC000269790882 483484212 /nfs/dbraw/zinc/48/42/12/483484212.db2.gz QSKLAWULTNLOMZ-OAHLLOKOSA-N -1 1 353.400 -0.730 20 0 FBADMM Cn1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000269828672 483485388 /nfs/dbraw/zinc/48/53/88/483485388.db2.gz UGSMAUZAIDSSLZ-LLVKDONJSA-N -1 1 373.818 -0.251 20 0 FBADMM Cn1cc(S(=O)(=O)[N-]C[C@H](O)c2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000269828678 483485460 /nfs/dbraw/zinc/48/54/60/483485460.db2.gz UGSMAUZAIDSSLZ-NSHDSACASA-N -1 1 373.818 -0.251 20 0 FBADMM COc1cc(C)cc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000269829250 483485056 /nfs/dbraw/zinc/48/50/56/483485056.db2.gz ZQHMTCYBAZNMNA-UHFFFAOYSA-N -1 1 353.400 -0.120 20 0 FBADMM Cn1cc(S(=O)(=O)[N-][C@H](CO)c2ccc(F)cc2)c(=O)n(C)c1=O ZINC000269835185 483485926 /nfs/dbraw/zinc/48/59/26/483485926.db2.gz XZNGYJPVLBPTPS-LLVKDONJSA-N -1 1 357.363 -0.765 20 0 FBADMM Cn1cc(S(=O)(=O)[N-][C@@H](CO)c2ccc(F)cc2)c(=O)n(C)c1=O ZINC000269835186 483486939 /nfs/dbraw/zinc/48/69/39/483486939.db2.gz XZNGYJPVLBPTPS-NSHDSACASA-N -1 1 357.363 -0.765 20 0 FBADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCN2S(C)(=O)=O)o1 ZINC000269841641 483486039 /nfs/dbraw/zinc/48/60/39/483486039.db2.gz BZVBFUCHZMYTPK-SECBINFHSA-N -1 1 366.417 -0.232 20 0 FBADMM Cn1cnc(S(=O)(=O)[N-]C[C@H]2CCCN2S(C)(=O)=O)c1Cl ZINC000269841690 483486522 /nfs/dbraw/zinc/48/65/22/483486522.db2.gz CAZAYVMNNCJAIG-MRVPVSSYSA-N -1 1 356.857 -0.224 20 0 FBADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCN(S(C)(=O)=O)C2)o1 ZINC000269841716 483486947 /nfs/dbraw/zinc/48/69/47/483486947.db2.gz CCPKDUBABPONDG-SECBINFHSA-N -1 1 366.417 -0.374 20 0 FBADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCN(S(C)(=O)=O)C2)o1 ZINC000269841718 483486151 /nfs/dbraw/zinc/48/61/51/483486151.db2.gz CCPKDUBABPONDG-VIFPVBQESA-N -1 1 366.417 -0.374 20 0 FBADMM C[C@H](O)c1ccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000269846726 483486770 /nfs/dbraw/zinc/48/67/70/483486770.db2.gz WUBFGZQWIRLVQT-JTQLQIEISA-N -1 1 353.400 -0.384 20 0 FBADMM C[C@@H](O)c1ccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000269846727 483486722 /nfs/dbraw/zinc/48/67/22/483486722.db2.gz WUBFGZQWIRLVQT-SNVBAGLBSA-N -1 1 353.400 -0.384 20 0 FBADMM COc1cccc([C@H](O)C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000269850977 483487940 /nfs/dbraw/zinc/48/79/40/483487940.db2.gz XHRPLZZGHNVDRZ-GFCCVEGCSA-N -1 1 369.399 -0.896 20 0 FBADMM COc1cccc([C@@H](O)C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000269850978 483488190 /nfs/dbraw/zinc/48/81/90/483488190.db2.gz XHRPLZZGHNVDRZ-LBPRGKRZSA-N -1 1 369.399 -0.896 20 0 FBADMM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)OCC)C1 ZINC000269853991 483487880 /nfs/dbraw/zinc/48/78/80/483487880.db2.gz RFSUMYDUGFKEKD-SECBINFHSA-N -1 1 359.408 -0.332 20 0 FBADMM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)OCC)C1 ZINC000269853995 483487869 /nfs/dbraw/zinc/48/78/69/483487869.db2.gz RFSUMYDUGFKEKD-VIFPVBQESA-N -1 1 359.408 -0.332 20 0 FBADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3O)c(=O)n(C)c1=O ZINC000269855398 483488138 /nfs/dbraw/zinc/48/81/38/483488138.db2.gz YAQLRRXYYFNGJN-LLVKDONJSA-N -1 1 351.384 -0.245 20 0 FBADMM Cn1cc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3O)c(=O)n(C)c1=O ZINC000269855405 483488016 /nfs/dbraw/zinc/48/80/16/483488016.db2.gz YAQLRRXYYFNGJN-NSHDSACASA-N -1 1 351.384 -0.245 20 0 FBADMM Cn1cc(S(=O)(=O)[N-]C[C@H](CO)c2ccccc2)c(=O)n(C)c1=O ZINC000269860967 483487890 /nfs/dbraw/zinc/48/78/90/483487890.db2.gz SAGXVGNLMZEQIT-GFCCVEGCSA-N -1 1 353.400 -0.862 20 0 FBADMM Cn1cc(S(=O)(=O)[N-]C[C@@H](CO)c2ccccc2)c(=O)n(C)c1=O ZINC000269860975 483488227 /nfs/dbraw/zinc/48/82/27/483488227.db2.gz SAGXVGNLMZEQIT-LBPRGKRZSA-N -1 1 353.400 -0.862 20 0 FBADMM COc1ccc([C@H](O)C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000269865815 483487195 /nfs/dbraw/zinc/48/71/95/483487195.db2.gz ZWUNFIHXHAICRW-GFCCVEGCSA-N -1 1 369.399 -0.896 20 0 FBADMM COc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000269865819 483487824 /nfs/dbraw/zinc/48/78/24/483487824.db2.gz ZWUNFIHXHAICRW-LBPRGKRZSA-N -1 1 369.399 -0.896 20 0 FBADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CC(=O)N(C(C)C)C1=O ZINC000269878233 483489426 /nfs/dbraw/zinc/48/94/26/483489426.db2.gz VPJQWRKJYKGXFH-SECBINFHSA-N -1 1 358.376 -0.599 20 0 FBADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CC(=O)N(C(C)C)C1=O ZINC000269878240 483489791 /nfs/dbraw/zinc/48/97/91/483489791.db2.gz VPJQWRKJYKGXFH-VIFPVBQESA-N -1 1 358.376 -0.599 20 0 FBADMM Cn1cnc(S(=O)(=O)[N-]C[C@H]2CCN(S(C)(=O)=O)C2)c1Cl ZINC000269885368 483489410 /nfs/dbraw/zinc/48/94/10/483489410.db2.gz UIVJOJXJYKHYNP-MRVPVSSYSA-N -1 1 356.857 -0.367 20 0 FBADMM Cn1cnc(S(=O)(=O)[N-]C[C@@H]2CCN(S(C)(=O)=O)C2)c1Cl ZINC000269885371 483489292 /nfs/dbraw/zinc/48/92/92/483489292.db2.gz UIVJOJXJYKHYNP-QMMMGPOBSA-N -1 1 356.857 -0.367 20 0 FBADMM CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)C(=O)N1CCOCC1 ZINC000269894344 483489540 /nfs/dbraw/zinc/48/95/40/483489540.db2.gz CBAXQLJOHQWQEZ-LLVKDONJSA-N -1 1 360.388 -0.018 20 0 FBADMM CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)C(=O)N1CCOCC1 ZINC000269894348 483489004 /nfs/dbraw/zinc/48/90/04/483489004.db2.gz CBAXQLJOHQWQEZ-NSHDSACASA-N -1 1 360.388 -0.018 20 0 FBADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCN(c3ccccn3)C2)c(=O)n(C)c1=O ZINC000269902998 483491139 /nfs/dbraw/zinc/49/11/39/483491139.db2.gz ZUXHUQRTXGMRKG-LLVKDONJSA-N -1 1 365.415 -0.964 20 0 FBADMM Cn1cc(S(=O)(=O)[N-][C@H]2CCN(c3ccccn3)C2)c(=O)n(C)c1=O ZINC000269903003 483491224 /nfs/dbraw/zinc/49/12/24/483491224.db2.gz ZUXHUQRTXGMRKG-NSHDSACASA-N -1 1 365.415 -0.964 20 0 FBADMM Cn1cc(S(=O)(=O)[N-]CC[C@@H](O)c2ccccc2)c(=O)n(C)c1=O ZINC000269907010 243744152 /nfs/dbraw/zinc/74/41/52/243744152.db2.gz ZQWVYTULGICHIU-GFCCVEGCSA-N -1 1 353.400 -0.514 20 0 FBADMM Cn1cc(S(=O)(=O)[N-]CC[C@H](O)c2ccccc2)c(=O)n(C)c1=O ZINC000269907019 483491374 /nfs/dbraw/zinc/49/13/74/483491374.db2.gz ZQWVYTULGICHIU-LBPRGKRZSA-N -1 1 353.400 -0.514 20 0 FBADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000269907362 483490428 /nfs/dbraw/zinc/49/04/28/483490428.db2.gz HJKZHKCBIUZSHM-SECBINFHSA-N -1 1 366.417 -0.374 20 0 FBADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000269907363 483491255 /nfs/dbraw/zinc/49/12/55/483491255.db2.gz HJKZHKCBIUZSHM-VIFPVBQESA-N -1 1 366.417 -0.374 20 0 FBADMM CC(C)Oc1cc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccn1 ZINC000269917839 483491098 /nfs/dbraw/zinc/49/10/98/483491098.db2.gz TVGMTLBOAJYXHT-UHFFFAOYSA-N -1 1 368.415 -0.255 20 0 FBADMM Cn1cc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c(=O)n(C)c1=O ZINC000269946479 483492026 /nfs/dbraw/zinc/49/20/26/483492026.db2.gz QJSAIFVSAGKASV-JLLWLGSASA-N -1 1 355.416 -0.680 20 0 FBADMM Cn1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c(=O)n(C)c1=O ZINC000269946483 483492866 /nfs/dbraw/zinc/49/28/66/483492866.db2.gz QJSAIFVSAGKASV-MVWJERBFSA-N -1 1 355.416 -0.680 20 0 FBADMM Cn1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(=O)n(C)c1=O ZINC000269946488 483492833 /nfs/dbraw/zinc/49/28/33/483492833.db2.gz QJSAIFVSAGKASV-WCQGTBRESA-N -1 1 355.416 -0.680 20 0 FBADMM Cn1cc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c(=O)n(C)c1=O ZINC000269946493 483491798 /nfs/dbraw/zinc/49/17/98/483491798.db2.gz QJSAIFVSAGKASV-YUSALJHKSA-N -1 1 355.416 -0.680 20 0 FBADMM CN(C)c1cccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1 ZINC000269957638 483494016 /nfs/dbraw/zinc/49/40/16/483494016.db2.gz ILIIGWPQRKANFK-UHFFFAOYSA-N -1 1 353.404 -0.977 20 0 FBADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H]2CCCN2S(C)(=O)=O)c1 ZINC000269967533 483493919 /nfs/dbraw/zinc/49/39/19/483493919.db2.gz WNASDXXZWKHLRT-SNVBAGLBSA-N -1 1 366.417 -0.232 20 0 FBADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(CCS(C)(=O)=O)C2CC2)o1 ZINC000269979789 483495452 /nfs/dbraw/zinc/49/54/52/483495452.db2.gz XEHMKMTWCCZMNX-UHFFFAOYSA-N -1 1 350.418 -0.163 20 0 FBADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCN(c3cnn(C)c3)C2=O)c1 ZINC000269983712 483495186 /nfs/dbraw/zinc/49/51/86/483495186.db2.gz DIHRBSRTDVQJCG-LLVKDONJSA-N -1 1 368.371 -0.117 20 0 FBADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCN(c3cnn(C)c3)C2=O)c1 ZINC000269983716 483495589 /nfs/dbraw/zinc/49/55/89/483495589.db2.gz DIHRBSRTDVQJCG-NSHDSACASA-N -1 1 368.371 -0.117 20 0 FBADMM COC(=O)c1coc(S(=O)(=O)[N-]CCN2CCCS2(=O)=O)c1 ZINC000269985723 483495003 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CCOc1ccc(C(=O)NCC(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1 ZINC000370854935 483846345 /nfs/dbraw/zinc/84/63/45/483846345.db2.gz GZLVVYKVLMICFM-ZDUSSCGKSA-N -1 1 360.374 -0.072 20 0 FBADMM C[C@H](C(=O)N1CCO[C@H](c2nn[n-]n2)C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000370855302 483846488 /nfs/dbraw/zinc/84/64/88/483846488.db2.gz JAGJLWCYMKASJQ-KKOKHZNYSA-N -1 1 362.390 -0.337 20 0 FBADMM C[C@H](C(=O)N1CCO[C@H](c2nn[n-]n2)C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000370855303 483846564 /nfs/dbraw/zinc/84/65/64/483846564.db2.gz JAGJLWCYMKASJQ-RHYQMDGZSA-N -1 1 362.390 -0.337 20 0 FBADMM C[C@H](C(=O)N1CCO[C@@H](c2nn[n-]n2)C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000370855304 483846606 /nfs/dbraw/zinc/84/66/06/483846606.db2.gz JAGJLWCYMKASJQ-WISYIIOYSA-N -1 1 362.390 -0.337 20 0 FBADMM C[C@H](C(=O)N1CCO[C@H](c2nn[n-]n2)C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000370855305 483846602 /nfs/dbraw/zinc/84/66/02/483846602.db2.gz JAGJLWCYMKASJQ-WYUUTHIRSA-N -1 1 362.390 -0.337 20 0 FBADMM CC1CCC(NS(=O)(=O)CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)CC1 ZINC000370856689 483846480 /nfs/dbraw/zinc/84/64/80/483846480.db2.gz LVBIAORBVKOPOK-HTAVTVPLSA-N -1 1 372.451 -0.402 20 0 FBADMM CC1CCC(NS(=O)(=O)CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)CC1 ZINC000370856690 483846371 /nfs/dbraw/zinc/84/63/71/483846371.db2.gz LVBIAORBVKOPOK-MCIGGMRASA-N -1 1 372.451 -0.402 20 0 FBADMM O=C(CCN1C(=O)COc2ccccc21)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370860764 483847464 /nfs/dbraw/zinc/84/74/64/483847464.db2.gz LFNHIULDUAWSOZ-CYBMUJFWSA-N -1 1 358.358 -0.085 20 0 FBADMM O=C(CCN1C(=O)COc2ccccc21)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370860765 483847269 /nfs/dbraw/zinc/84/72/69/483847269.db2.gz LFNHIULDUAWSOZ-ZDUSSCGKSA-N -1 1 358.358 -0.085 20 0 FBADMM Cc1ccc(-c2nnn(CC(=O)N3CCO[C@@H](c4nn[n-]n4)C3)n2)cc1 ZINC000370864066 483847757 /nfs/dbraw/zinc/84/77/57/483847757.db2.gz ZMFLYYKMPQVTSA-GFCCVEGCSA-N -1 1 355.362 -0.238 20 0 FBADMM Cc1ccc(-c2nnn(CC(=O)N3CCO[C@H](c4nn[n-]n4)C3)n2)cc1 ZINC000370864067 483848001 /nfs/dbraw/zinc/84/80/01/483848001.db2.gz ZMFLYYKMPQVTSA-LBPRGKRZSA-N -1 1 355.362 -0.238 20 0 FBADMM O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370866548 483848009 /nfs/dbraw/zinc/84/80/09/483848009.db2.gz GAVBUPCIFWAXHD-JTQLQIEISA-N -1 1 363.378 -0.646 20 0 FBADMM O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370866549 483847942 /nfs/dbraw/zinc/84/79/42/483847942.db2.gz GAVBUPCIFWAXHD-SNVBAGLBSA-N -1 1 363.378 -0.646 20 0 FBADMM O=C([C@H]1COCC(=O)N1Cc1ccccc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370867825 483848477 /nfs/dbraw/zinc/84/84/77/483848477.db2.gz LREXLRPUWDQKBW-KGLIPLIRSA-N -1 1 372.385 -0.473 20 0 FBADMM O=C([C@H]1COCC(=O)N1Cc1ccccc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370867826 483848430 /nfs/dbraw/zinc/84/84/30/483848430.db2.gz LREXLRPUWDQKBW-ZIAGYGMSSA-N -1 1 372.385 -0.473 20 0 FBADMM O=C(CCNS(=O)(=O)c1ccccc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370870457 483849192 /nfs/dbraw/zinc/84/91/92/483849192.db2.gz MCJLSTSLLNEWOK-GFCCVEGCSA-N -1 1 366.403 -0.532 20 0 FBADMM O=C(CCNS(=O)(=O)c1ccccc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370870458 483849490 /nfs/dbraw/zinc/84/94/90/483849490.db2.gz MCJLSTSLLNEWOK-LBPRGKRZSA-N -1 1 366.403 -0.532 20 0 FBADMM O=C(CNC(=O)c1cc(F)cc(F)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370894356 483856363 /nfs/dbraw/zinc/85/63/63/483856363.db2.gz ZVGDJAKNGNQUTC-LLVKDONJSA-N -1 1 352.301 -0.192 20 0 FBADMM O=C(CNC(=O)c1cc(F)cc(F)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370894357 483856275 /nfs/dbraw/zinc/85/62/75/483856275.db2.gz ZVGDJAKNGNQUTC-NSHDSACASA-N -1 1 352.301 -0.192 20 0 FBADMM CNS(=O)(=O)[C@@H]1CCN(CC(=O)[N-]C(=O)c2ccc(OC)cc2)C1 ZINC000371002831 484071683 /nfs/dbraw/zinc/07/16/83/484071683.db2.gz DTBHZDJSUIMJFA-CYBMUJFWSA-N -1 1 355.416 -0.425 20 0 FBADMM CNS(=O)(=O)[C@H]1CCN(CC(=O)[N-]C(=O)c2ccc(OC)cc2)C1 ZINC000371002832 484071870 /nfs/dbraw/zinc/07/18/70/484071870.db2.gz DTBHZDJSUIMJFA-ZDUSSCGKSA-N -1 1 355.416 -0.425 20 0 FBADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCN(c2cnn(C)c2)C1 ZINC000371015090 484165921 /nfs/dbraw/zinc/16/59/21/484165921.db2.gz GYBHKQHSISYDQL-JTQLQIEISA-N -1 1 368.419 -0.123 20 0 FBADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCN(c2cnn(C)c2)C1 ZINC000371015091 484166598 /nfs/dbraw/zinc/16/65/98/484166598.db2.gz GYBHKQHSISYDQL-SNVBAGLBSA-N -1 1 368.419 -0.123 20 0 FBADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCN(c2ccn(C)n2)C1 ZINC000371016125 484185078 /nfs/dbraw/zinc/18/50/78/484185078.db2.gz MVXQVYXBAKGUIW-JTQLQIEISA-N -1 1 368.419 -0.123 20 0 FBADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCN(c2ccn(C)n2)C1 ZINC000371016126 484185340 /nfs/dbraw/zinc/18/53/40/484185340.db2.gz MVXQVYXBAKGUIW-SNVBAGLBSA-N -1 1 368.419 -0.123 20 0 FBADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccn(C)n3)C2)o1 ZINC000371022099 483914304 /nfs/dbraw/zinc/91/43/04/483914304.db2.gz IORHQHJVXFYYQA-JTQLQIEISA-N -1 1 353.404 -0.070 20 0 FBADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccn(C)n3)C2)o1 ZINC000371022100 245534659 /nfs/dbraw/zinc/53/46/59/245534659.db2.gz IORHQHJVXFYYQA-SNVBAGLBSA-N -1 1 353.404 -0.070 20 0 FBADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)co1 ZINC000371051870 484050255 /nfs/dbraw/zinc/05/02/55/484050255.db2.gz BRIULDPNIAHZKV-LLVKDONJSA-N -1 1 353.404 -0.070 20 0 FBADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2)co1 ZINC000371051872 484049155 /nfs/dbraw/zinc/04/91/55/484049155.db2.gz BRIULDPNIAHZKV-NSHDSACASA-N -1 1 353.404 -0.070 20 0 FBADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCN(CC(=O)NC)CC2)co1 ZINC000371053633 484048732 /nfs/dbraw/zinc/04/87/32/484048732.db2.gz IOIQMBYPGCQJMS-UHFFFAOYSA-N -1 1 358.420 -0.918 20 0 FBADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(S(=O)(=O)NC)CC2)co1 ZINC000371056263 484049272 /nfs/dbraw/zinc/04/92/72/484049272.db2.gz VDRQYEWNSSTTID-UHFFFAOYSA-N -1 1 365.433 -0.659 20 0 FBADMM Cc1nc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2n1CCCC2 ZINC000371138645 484054878 /nfs/dbraw/zinc/05/48/78/484054878.db2.gz NNBGZLHMDGMVJH-UHFFFAOYSA-N -1 1 367.431 -0.596 20 0 FBADMM O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000371286956 484066947 /nfs/dbraw/zinc/06/69/47/484066947.db2.gz JMSPHHZNGBGCPH-JTQLQIEISA-N -1 1 363.403 -0.597 20 0 FBADMM O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000371286957 484067628 /nfs/dbraw/zinc/06/76/28/484067628.db2.gz JMSPHHZNGBGCPH-SNVBAGLBSA-N -1 1 363.403 -0.597 20 0 FBADMM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CCC2 ZINC000371296275 484070002 /nfs/dbraw/zinc/07/00/02/484070002.db2.gz YDVDFBORBWSXHX-LLVKDONJSA-N -1 1 367.431 -0.555 20 0 FBADMM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CCC2 ZINC000371296276 484068274 /nfs/dbraw/zinc/06/82/74/484068274.db2.gz YDVDFBORBWSXHX-NSHDSACASA-N -1 1 367.431 -0.555 20 0 FBADMM Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2CCc3nc[nH]c3C2)cn1C ZINC000371308037 484069352 /nfs/dbraw/zinc/06/93/52/484069352.db2.gz KJHGARSREQLXNL-LLVKDONJSA-N -1 1 366.447 -0.206 20 0 FBADMM Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2CCc3nc[nH]c3C2)cn1C ZINC000371308038 484069242 /nfs/dbraw/zinc/06/92/42/484069242.db2.gz KJHGARSREQLXNL-NSHDSACASA-N -1 1 366.447 -0.206 20 0 FBADMM CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C1 ZINC000371570079 484088362 /nfs/dbraw/zinc/08/83/62/484088362.db2.gz COLVTHBLAOJHFK-SECBINFHSA-N -1 1 353.404 -0.172 20 0 FBADMM CCNS(=O)(=O)[C@H]1CCN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C1 ZINC000371570086 484087300 /nfs/dbraw/zinc/08/73/00/484087300.db2.gz COLVTHBLAOJHFK-VIFPVBQESA-N -1 1 353.404 -0.172 20 0 FBADMM CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C1 ZINC000371658905 484098769 /nfs/dbraw/zinc/09/87/69/484098769.db2.gz FJBFYYUYZASLNT-SECBINFHSA-N -1 1 353.404 -0.172 20 0 FBADMM CNS(=O)(=O)[C@H]1CCCN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C1 ZINC000371658906 484099993 /nfs/dbraw/zinc/09/99/93/484099993.db2.gz FJBFYYUYZASLNT-VIFPVBQESA-N -1 1 353.404 -0.172 20 0 FBADMM Cn1cc(S(=O)(=O)[N-]C[C@H]2OCCc3ccccc32)c(=O)n(C)c1=O ZINC000371683593 484100578 /nfs/dbraw/zinc/10/05/78/484100578.db2.gz SAQDFPQECRUKTH-CYBMUJFWSA-N -1 1 365.411 -0.324 20 0 FBADMM Cn1cc(S(=O)(=O)[N-]C[C@@H]2OCCc3ccccc32)c(=O)n(C)c1=O ZINC000371683594 484101243 /nfs/dbraw/zinc/10/12/43/484101243.db2.gz SAQDFPQECRUKTH-ZDUSSCGKSA-N -1 1 365.411 -0.324 20 0 FBADMM Cn1cc(S(=O)(=O)[N-][C@@H]2COc3cccc(F)c32)c(=O)n(C)c1=O ZINC000371731205 484102902 /nfs/dbraw/zinc/10/29/02/484102902.db2.gz DBYPQENEHJZDOU-SECBINFHSA-N -1 1 355.347 -0.365 20 0 FBADMM Cn1cc(S(=O)(=O)[N-][C@H]2COc3cccc(F)c32)c(=O)n(C)c1=O ZINC000371731206 484102991 /nfs/dbraw/zinc/10/29/91/484102991.db2.gz DBYPQENEHJZDOU-VIFPVBQESA-N -1 1 355.347 -0.365 20 0 FBADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCN(CC(=O)OC)CC2)o1 ZINC000371813210 484105821 /nfs/dbraw/zinc/10/58/21/484105821.db2.gz ZGVMEOBHIZCMMD-UHFFFAOYSA-N -1 1 359.404 -0.491 20 0 FBADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCN(S(C)(=O)=O)CC2)co1 ZINC000372198598 483588612 /nfs/dbraw/zinc/58/86/12/483588612.db2.gz FCUQVGYAKXETAS-UHFFFAOYSA-N -1 1 365.433 -0.705 20 0 FBADMM C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@H]1COc2ccccc21 ZINC000372208962 484132292 /nfs/dbraw/zinc/13/22/92/484132292.db2.gz HNJFAJXXDQYTGJ-CMPLNLGQSA-N -1 1 365.411 -0.073 20 0 FBADMM C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1COc2ccccc21 ZINC000372208963 484132504 /nfs/dbraw/zinc/13/25/04/484132504.db2.gz HNJFAJXXDQYTGJ-JQWIXIFHSA-N -1 1 365.411 -0.073 20 0 FBADMM C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1COc2ccccc21 ZINC000372208964 484132885 /nfs/dbraw/zinc/13/28/85/484132885.db2.gz HNJFAJXXDQYTGJ-PWSUYJOCSA-N -1 1 365.411 -0.073 20 0 FBADMM C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@H]1COc2ccccc21 ZINC000372208965 484132492 /nfs/dbraw/zinc/13/24/92/484132492.db2.gz HNJFAJXXDQYTGJ-ZYHUDNBSSA-N -1 1 365.411 -0.073 20 0 FBADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCN(c3ccn(C)n3)C2=O)c1 ZINC000372233043 484134299 /nfs/dbraw/zinc/13/42/99/484134299.db2.gz VIXHQCIVTMWAQS-JTQLQIEISA-N -1 1 368.371 -0.117 20 0 FBADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCN(c3ccn(C)n3)C2=O)c1 ZINC000372233051 484133527 /nfs/dbraw/zinc/13/35/27/484133527.db2.gz VIXHQCIVTMWAQS-SNVBAGLBSA-N -1 1 368.371 -0.117 20 0 FBADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCN(CC(=O)OC)CC2)co1 ZINC000372301171 484137734 /nfs/dbraw/zinc/13/77/34/484137734.db2.gz HLBHPNDYKWNKJX-UHFFFAOYSA-N -1 1 359.404 -0.491 20 0 FBADMM CC(C)C[C@@H](NC(=O)Cc1[nH]c(O)nc1O)c1nc(-c2nnc[n-]2)no1 ZINC000372331376 484139503 /nfs/dbraw/zinc/13/95/03/484139503.db2.gz IOIOHWCBMZDENX-JGVFFNPUSA-N -1 1 362.350 -0.344 20 0 FBADMM CC(C)C[C@H](NC(=O)Cc1[nH]c(O)nc1O)c1nc(-c2nnc[n-]2)no1 ZINC000372331387 484140115 /nfs/dbraw/zinc/14/01/15/484140115.db2.gz IOIOHWCBMZDENX-YUMQZZPRSA-N -1 1 362.350 -0.344 20 0 FBADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)o1 ZINC000372702878 484167626 /nfs/dbraw/zinc/16/76/26/484167626.db2.gz RHZBZQAXTFFJOO-UHFFFAOYSA-N -1 1 367.387 -0.590 20 0 FBADMM C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000372859255 484178858 /nfs/dbraw/zinc/17/88/58/484178858.db2.gz JJIBBBLPXXJHAE-CXAGYDPISA-N -1 1 372.385 -0.493 20 0 FBADMM 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484191643 /nfs/dbraw/zinc/19/16/43/484191643.db2.gz GVXRZRGTOFWMDH-ADEWGFFLSA-N -1 1 357.432 -0.434 20 0 FBADMM CO[C@@H]1[C@@H](C)[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C12CCC2 ZINC000373123097 484191328 /nfs/dbraw/zinc/19/13/28/484191328.db2.gz GVXRZRGTOFWMDH-MVWJERBFSA-N -1 1 357.432 -0.434 20 0 FBADMM CO[C@@H]1[C@H](C)[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C12CCC2 ZINC000373123099 484191660 /nfs/dbraw/zinc/19/16/60/484191660.db2.gz GVXRZRGTOFWMDH-YUSALJHKSA-N -1 1 357.432 -0.434 20 0 FBADMM CO[C@@H]1[C@@H](C)[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C12CCC2 ZINC000373123101 484191138 /nfs/dbraw/zinc/19/11/38/484191138.db2.gz GVXRZRGTOFWMDH-ZMLRMANQSA-N -1 1 357.432 -0.434 20 0 FBADMM Cn1ncc2c1[n-]cc(C(=O)N1CCCN(S(C)(=O)=O)CC1)c2=O ZINC000373156274 484193338 /nfs/dbraw/zinc/19/33/38/484193338.db2.gz ZOICOKHVCHACGB-UHFFFAOYSA-N -1 1 353.404 -0.219 20 0 FBADMM CC(C)(C)OC(=O)N1CC([N-]S(=O)(=O)C[C@@H]2CCCO2)(C(N)=O)C1 ZINC000373371278 484203350 /nfs/dbraw/zinc/20/33/50/484203350.db2.gz 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C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCOC[C@@H]2OCCOC)o1 ZINC000485516199 485089224 /nfs/dbraw/zinc/08/92/24/485089224.db2.gz FUJQMWGAABDTTC-JQWIXIFHSA-N -1 1 362.404 -0.262 20 0 FBADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCOC[C@@H]2OCCOC)o1 ZINC000485516200 485088476 /nfs/dbraw/zinc/08/84/76/485088476.db2.gz FUJQMWGAABDTTC-PWSUYJOCSA-N -1 1 362.404 -0.262 20 0 FBADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCCOC)o1 ZINC000485516201 485088592 /nfs/dbraw/zinc/08/85/92/485088592.db2.gz FUJQMWGAABDTTC-ZYHUDNBSSA-N -1 1 362.404 -0.262 20 0 FBADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCOC[C@@H]2OCCOC)co1 ZINC000485543122 485090846 /nfs/dbraw/zinc/09/08/46/485090846.db2.gz BSMZVOSPPKMZKU-NEPJUHHUSA-N -1 1 362.404 -0.262 20 0 FBADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCOC[C@H]2OCCOC)co1 ZINC000485543124 485090930 /nfs/dbraw/zinc/09/09/30/485090930.db2.gz BSMZVOSPPKMZKU-NWDGAFQWSA-N -1 1 362.404 -0.262 20 0 FBADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCOC[C@@H]2OCCOC)co1 ZINC000485543125 485090153 /nfs/dbraw/zinc/09/01/53/485090153.db2.gz BSMZVOSPPKMZKU-RYUDHWBXSA-N -1 1 362.404 -0.262 20 0 FBADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCOC[C@H]2OCCOC)co1 ZINC000485543127 485090171 /nfs/dbraw/zinc/09/01/71/485090171.db2.gz BSMZVOSPPKMZKU-VXGBXAGGSA-N -1 1 362.404 -0.262 20 0 FBADMM COCCO[C@H]1COCC[C@@H]1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000485567900 485090351 /nfs/dbraw/zinc/09/03/51/485090351.db2.gz JKUGFCNKTXDJAT-AAEUAGOBSA-N -1 1 353.375 -0.546 20 0 FBADMM COCCO[C@@H]1COCC[C@H]1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000485567905 485090506 /nfs/dbraw/zinc/09/05/06/485090506.db2.gz JKUGFCNKTXDJAT-DGCLKSJQSA-N -1 1 353.375 -0.546 20 0 FBADMM COCCO[C@@H]1COCC[C@@H]1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000485567907 485090537 /nfs/dbraw/zinc/09/05/37/485090537.db2.gz JKUGFCNKTXDJAT-WCQYABFASA-N -1 1 353.375 -0.546 20 0 FBADMM COCCO[C@H]1COCC[C@H]1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000485567909 485090036 /nfs/dbraw/zinc/09/00/36/485090036.db2.gz JKUGFCNKTXDJAT-YPMHNXCESA-N -1 1 353.375 -0.546 20 0 FBADMM NC(=O)C(NC(=O)c1c([O-])cnc2c(Br)cccc21)C(N)=O ZINC000485686381 485094372 /nfs/dbraw/zinc/09/43/72/485094372.db2.gz XBNHARLFVKICKN-UHFFFAOYSA-N -1 1 367.159 -0.228 20 0 FBADMM CN(CCc1ccccn1)C(=O)CNC(=O)CNC(=O)c1ncccc1[O-] ZINC000485789332 485094884 /nfs/dbraw/zinc/09/48/84/485094884.db2.gz QJCGLQIRLJZQOZ-UHFFFAOYSA-N -1 1 371.397 -0.271 20 0 FBADMM COc1ccc(CNC(=O)CNC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000485943039 485098103 /nfs/dbraw/zinc/09/81/03/485098103.db2.gz GNMJVKWPVQQGAE-UHFFFAOYSA-N -1 1 372.381 -0.042 20 0 FBADMM CCOC(=O)CN1CCCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC000485965171 485098319 /nfs/dbraw/zinc/09/83/19/485098319.db2.gz FEPKOIDQBZZWFM-UHFFFAOYSA-N -1 1 364.402 -0.386 20 0 FBADMM CN(C1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1)S(C)(=O)=O ZINC000485967982 485098243 /nfs/dbraw/zinc/09/82/43/485098243.db2.gz PEBBCWQPDLKGQI-UHFFFAOYSA-N -1 1 370.431 -0.601 20 0 FBADMM CS(=O)(=O)N1CCC[C@H](NC(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000485991252 485099494 /nfs/dbraw/zinc/09/94/94/485099494.db2.gz QYHPFURFONQXOV-JTQLQIEISA-N -1 1 356.404 -0.943 20 0 FBADMM CS(=O)(=O)N1CCC[C@@H](NC(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000485991253 485098986 /nfs/dbraw/zinc/09/89/86/485098986.db2.gz QYHPFURFONQXOV-SNVBAGLBSA-N -1 1 356.404 -0.943 20 0 FBADMM CS(=O)(=O)N1CCC(CNC(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC000486178815 485101476 /nfs/dbraw/zinc/10/14/76/485101476.db2.gz NHWVCTYXDZMGDT-UHFFFAOYSA-N -1 1 370.431 -0.695 20 0 FBADMM COC(=O)[C@@H](O)CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000486385335 485105675 /nfs/dbraw/zinc/10/56/75/485105675.db2.gz CUXZWLZGMMQRTO-VIFPVBQESA-N -1 1 370.380 -0.991 20 0 FBADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCCN2CCNC(=O)C2)o1 ZINC000486396683 485107179 /nfs/dbraw/zinc/10/71/79/485107179.db2.gz BEZWFXGILYCAKI-UHFFFAOYSA-N -1 1 359.404 -0.444 20 0 FBADMM O=C(NC1(c2nn[n-]n2)CCCC1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000486412816 485107546 /nfs/dbraw/zinc/10/75/46/485107546.db2.gz RVGXOQXLZMWHQZ-NWDGAFQWSA-N -1 1 364.406 -0.508 20 0 FBADMM Cn1cc(S(N)(=O)=O)cc1CC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000486415927 485107200 /nfs/dbraw/zinc/10/72/00/485107200.db2.gz ZZGUKPPXRONLHU-UHFFFAOYSA-N -1 1 353.408 -0.686 20 0 FBADMM NS(=O)(=O)Cc1cccc(NC(=O)CNC(=O)c2ncccc2[O-])c1 ZINC000486444050 485108396 /nfs/dbraw/zinc/10/83/96/485108396.db2.gz DSPUMNAAGVEEJP-UHFFFAOYSA-N -1 1 364.383 -0.056 20 0 FBADMM Cn1cc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)c(=O)n(C)c1=O ZINC000486565589 485111748 /nfs/dbraw/zinc/11/17/48/485111748.db2.gz SPTRMNUTKHWPCA-UHFFFAOYSA-N -1 1 353.335 -0.100 20 0 FBADMM NC(=O)CNC(=O)c1ccc(NC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000486577464 485111886 /nfs/dbraw/zinc/11/18/86/485111886.db2.gz FWYQUGPPEUPAER-UHFFFAOYSA-N -1 1 371.353 -0.629 20 0 FBADMM O=C(CNC(=O)CNC(=O)c1ncccc1[O-])NCCc1ccccc1 ZINC000486614622 485111588 /nfs/dbraw/zinc/11/15/88/485111588.db2.gz KWJPCSPDIKQNNX-UHFFFAOYSA-N -1 1 356.382 -0.008 20 0 FBADMM Cn1nnc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)n1 ZINC000486837207 485116840 /nfs/dbraw/zinc/11/68/40/485116840.db2.gz YOVTXTIBPYWTEM-UHFFFAOYSA-N -1 1 360.783 -0.794 20 0 FBADMM Cn1nnc(C[N-]S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)n1 ZINC000486854520 485116485 /nfs/dbraw/zinc/11/64/85/485116485.db2.gz DADFFDCBPHXZJW-UHFFFAOYSA-N -1 1 372.432 -0.871 20 0 FBADMM Cn1nnc(C[N-]S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)n1 ZINC000486861154 485116606 /nfs/dbraw/zinc/11/66/06/485116606.db2.gz YNGHWDWHGPIKRR-UHFFFAOYSA-N -1 1 372.432 -0.871 20 0 FBADMM C[C@H](CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)c1nn[n-]n1 ZINC000487107799 485122287 /nfs/dbraw/zinc/12/22/87/485122287.db2.gz DCICABOYJJSSFS-GRYCIOLGSA-N -1 1 352.395 -0.832 20 0 FBADMM C[C@@H](CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)c1nn[n-]n1 ZINC000487107800 485122408 /nfs/dbraw/zinc/12/24/08/485122408.db2.gz DCICABOYJJSSFS-SDDRHHMPSA-N -1 1 352.395 -0.832 20 0 FBADMM COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000487139367 485123223 /nfs/dbraw/zinc/12/32/23/485123223.db2.gz OUIORGSYLOVUQX-JTQLQIEISA-N -1 1 368.371 -0.914 20 0 FBADMM COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000487139368 485123576 /nfs/dbraw/zinc/12/35/76/485123576.db2.gz OUIORGSYLOVUQX-SNVBAGLBSA-N -1 1 368.371 -0.914 20 0 FBADMM CN1C(=O)NC2(CCN(C(=O)CNC(=O)c3ncccc3[O-])CC2)C1=O ZINC000487267838 485124017 /nfs/dbraw/zinc/12/40/17/485124017.db2.gz XSZALRXGAGSBNG-UHFFFAOYSA-N -1 1 361.358 -0.940 20 0 FBADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](C3CC3)C2)o1 ZINC000487321631 485125516 /nfs/dbraw/zinc/12/55/16/485125516.db2.gz KEDRUHZIQQPTQW-LLVKDONJSA-N -1 1 357.388 -0.706 20 0 FBADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](C3CC3)C2)o1 ZINC000487321634 485125476 /nfs/dbraw/zinc/12/54/76/485125476.db2.gz KEDRUHZIQQPTQW-NSHDSACASA-N -1 1 357.388 -0.706 20 0 FBADMM CN(C(N)=O)c1cccc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000487335366 485125219 /nfs/dbraw/zinc/12/52/19/485125219.db2.gz NENQULOOPWAZLM-UHFFFAOYSA-N -1 1 367.387 -0.600 20 0 FBADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCN1CCO[C@H](CC)C1 ZINC000487376112 485126820 /nfs/dbraw/zinc/12/68/20/485126820.db2.gz KONVQBPXVQUOJN-LLVKDONJSA-N -1 1 360.436 -0.025 20 0 FBADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCN1CCO[C@@H](CC)C1 ZINC000487376117 485126236 /nfs/dbraw/zinc/12/62/36/485126236.db2.gz KONVQBPXVQUOJN-NSHDSACASA-N -1 1 360.436 -0.025 20 0 FBADMM Cc1cc(N2CC[C@@H](NC(=O)CNC(=O)c3ncccc3[O-])C2=O)n(C)n1 ZINC000487388285 485126517 /nfs/dbraw/zinc/12/65/17/485126517.db2.gz RHWCCOAOMOFVQT-LLVKDONJSA-N -1 1 372.385 -0.519 20 0 FBADMM Cc1cc(N2CC[C@H](NC(=O)CNC(=O)c3ncccc3[O-])C2=O)n(C)n1 ZINC000487388286 485126937 /nfs/dbraw/zinc/12/69/37/485126937.db2.gz RHWCCOAOMOFVQT-NSHDSACASA-N -1 1 372.385 -0.519 20 0 FBADMM COCC(=O)N1CCC(NC(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC000487712903 485133166 /nfs/dbraw/zinc/13/31/66/485133166.db2.gz VBGXEPNYQIMVEW-UHFFFAOYSA-N -1 1 350.375 -0.729 20 0 FBADMM Cc1cnn(C[C@H]2CN(C(=O)CNC(=O)c3ncccc3[O-])CCO2)c1 ZINC000487726212 485132822 /nfs/dbraw/zinc/13/28/22/485132822.db2.gz OYHZBLADKSPWLP-CYBMUJFWSA-N -1 1 359.386 -0.050 20 0 FBADMM Cc1cnn(C[C@@H]2CN(C(=O)CNC(=O)c3ncccc3[O-])CCO2)c1 ZINC000487726213 485133229 /nfs/dbraw/zinc/13/32/29/485133229.db2.gz OYHZBLADKSPWLP-ZDUSSCGKSA-N -1 1 359.386 -0.050 20 0 FBADMM C[C@@H](Cc1ccncc1)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000487854628 485135547 /nfs/dbraw/zinc/13/55/47/485135547.db2.gz CQYCCXMIJMMMAX-JTQLQIEISA-N -1 1 366.399 -0.201 20 0 FBADMM C[C@H](Cc1ccncc1)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000487854640 485135691 /nfs/dbraw/zinc/13/56/91/485135691.db2.gz CQYCCXMIJMMMAX-SNVBAGLBSA-N -1 1 366.399 -0.201 20 0 FBADMM NS(=O)(=O)C[C@H]1CCCN(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000488113799 485139035 /nfs/dbraw/zinc/13/90/35/485139035.db2.gz CBYDYOMACYVMJB-JTQLQIEISA-N -1 1 356.404 -0.956 20 0 FBADMM NS(=O)(=O)C[C@@H]1CCCN(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000488113800 485138475 /nfs/dbraw/zinc/13/84/75/485138475.db2.gz CBYDYOMACYVMJB-SNVBAGLBSA-N -1 1 356.404 -0.956 20 0 FBADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccn(CCN2CCOCC2)n1 ZINC000488150993 484228551 /nfs/dbraw/zinc/22/85/51/484228551.db2.gz WATWNMLTHLXRDN-UHFFFAOYSA-N -1 1 374.401 -0.316 20 0 FBADMM COc1cc(NC(=O)NCc2nnn(C)n2)ccc1[N-]S(C)(=O)=O ZINC000488252156 485141172 /nfs/dbraw/zinc/14/11/72/485141172.db2.gz JJMBQDGVWKNCFD-UHFFFAOYSA-N -1 1 355.380 -0.088 20 0 FBADMM CNS(=O)(=O)C1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC000488379369 485142114 /nfs/dbraw/zinc/14/21/14/485142114.db2.gz XWECNUHSDSCCTI-UHFFFAOYSA-N -1 1 356.404 -0.943 20 0 FBADMM COc1ccc(NC(=O)NCc2nnn(C)n2)cc1[N-]S(C)(=O)=O ZINC000488489820 485143128 /nfs/dbraw/zinc/14/31/28/485143128.db2.gz PVVVJBWSSOFAFW-UHFFFAOYSA-N -1 1 355.380 -0.088 20 0 FBADMM CNC(=O)CCN(C)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000488695546 485146068 /nfs/dbraw/zinc/14/60/68/485146068.db2.gz MFODADWDEZRECS-UHFFFAOYSA-N -1 1 367.424 -0.046 20 0 FBADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2CS(=O)(=O)NC)o1 ZINC000488880575 485149643 /nfs/dbraw/zinc/14/96/43/485149643.db2.gz NPAALHDGGDOWOQ-SECBINFHSA-N -1 1 365.433 -0.659 20 0 FBADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2CS(=O)(=O)NC)o1 ZINC000488880585 485149954 /nfs/dbraw/zinc/14/99/54/485149954.db2.gz NPAALHDGGDOWOQ-VIFPVBQESA-N -1 1 365.433 -0.659 20 0 FBADMM Cn1cc(CN2CCN(C(=O)CNC(=O)c3ncccc3[O-])CC2)cn1 ZINC000488909500 485150516 /nfs/dbraw/zinc/15/05/16/485150516.db2.gz FVJXWHWMMWVQNH-UHFFFAOYSA-N -1 1 358.402 -0.405 20 0 FBADMM Cn1ccnc1CN1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC000488913806 485151013 /nfs/dbraw/zinc/15/10/13/485151013.db2.gz DSZUZGIKHBVVQT-UHFFFAOYSA-N -1 1 358.402 -0.405 20 0 FBADMM CCN(CC)S(=O)(=O)CCNC(=O)CNC(=O)c1ncccc1[O-] ZINC000488966999 485152134 /nfs/dbraw/zinc/15/21/34/485152134.db2.gz DIVLFXOZRQUVSP-UHFFFAOYSA-N -1 1 358.420 -0.695 20 0 FBADMM Cc1nnc(CN2CCN(C(=O)CNC(=O)c3ncccc3[O-])CC2)[nH]1 ZINC000489196071 485155109 /nfs/dbraw/zinc/15/51/09/485155109.db2.gz MAWGWIUXGGDPSF-UHFFFAOYSA-N -1 1 359.390 -0.712 20 0 FBADMM CCOC1CC(N(C)C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000489482855 485160363 /nfs/dbraw/zinc/16/03/63/485160363.db2.gz SHYAPGMWEHAQTL-UHFFFAOYSA-N -1 1 359.404 -0.317 20 0 FBADMM CCOC(=O)C1(O)CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC000489519323 485160174 /nfs/dbraw/zinc/16/01/74/485160174.db2.gz OOJWXADEAYUKQU-UHFFFAOYSA-N -1 1 351.359 -0.566 20 0 FBADMM O=C(C[C@@H]1NC(=O)NC1=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000489553072 485161060 /nfs/dbraw/zinc/16/10/60/485161060.db2.gz YFRCUHDNBQEKCF-JTQLQIEISA-N -1 1 368.371 -0.631 20 0 FBADMM CN(C)S(=O)(=O)c1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)n(C)c1 ZINC000489880787 485165785 /nfs/dbraw/zinc/16/57/85/485165785.db2.gz DXTBCMBBRAELET-UHFFFAOYSA-N -1 1 367.435 -0.012 20 0 FBADMM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000490008982 485167473 /nfs/dbraw/zinc/16/74/73/485167473.db2.gz NJMJJUNNXQDXKG-JTQLQIEISA-N -1 1 356.404 -0.943 20 0 FBADMM CNS(=O)(=O)C[C@H]1CCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000490008983 485167464 /nfs/dbraw/zinc/16/74/64/485167464.db2.gz NJMJJUNNXQDXKG-SNVBAGLBSA-N -1 1 356.404 -0.943 20 0 FBADMM CC(C)[C@H](NC(=O)CNC(=O)c1ncccc1[O-])C(=O)N1CCOCC1 ZINC000490057163 485168448 /nfs/dbraw/zinc/16/84/48/485168448.db2.gz FHIBOKFSHWEFHY-AWEZNQCLSA-N -1 1 364.402 -0.483 20 0 FBADMM CC(C)[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])C(=O)N1CCOCC1 ZINC000490057164 485169059 /nfs/dbraw/zinc/16/90/59/485169059.db2.gz FHIBOKFSHWEFHY-CQSZACIVSA-N -1 1 364.402 -0.483 20 0 FBADMM Cn1cc(N2CCN(C(=O)CNC(=O)c3ncccc3[O-])CC2=O)cn1 ZINC000490088972 485169042 /nfs/dbraw/zinc/16/90/42/485169042.db2.gz LMRSBFGCZOPUFO-UHFFFAOYSA-N -1 1 358.358 -0.874 20 0 FBADMM CNC(=O)CCOC1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC000490112173 485169617 /nfs/dbraw/zinc/16/96/17/485169617.db2.gz LSOHSDIAQYIMNN-UHFFFAOYSA-N -1 1 364.402 -0.339 20 0 FBADMM Nc1nsc(N2CCN(C(=O)CNC(=O)c3ncccc3[O-])CC2)n1 ZINC000490148758 484554791 /nfs/dbraw/zinc/55/47/91/484554791.db2.gz OEAWUGJHHUIVHW-UHFFFAOYSA-N -1 1 363.403 -0.701 20 0 FBADMM C[C@H]1COC(C)(C)CN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000490166519 485171086 /nfs/dbraw/zinc/17/10/86/485171086.db2.gz YIFZNWQQVBJMDC-VIFPVBQESA-N -1 1 359.404 -0.317 20 0 FBADMM C[C@H]1CSCCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000490186058 485171150 /nfs/dbraw/zinc/17/11/50/485171150.db2.gz DLMWQFXUVIGJFA-SECBINFHSA-N -1 1 361.445 -0.132 20 0 FBADMM C[C@@H]1CSCCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000490186059 485171281 /nfs/dbraw/zinc/17/12/81/485171281.db2.gz DLMWQFXUVIGJFA-VIFPVBQESA-N -1 1 361.445 -0.132 20 0 FBADMM NC(=O)c1cc([C@H]2CCCN(C(=O)CNC(=O)c3ncccc3[O-])C2)n[nH]1 ZINC000490192226 485171076 /nfs/dbraw/zinc/17/10/76/485171076.db2.gz CZPRBTUNIVNYTO-JTQLQIEISA-N -1 1 372.385 -0.255 20 0 FBADMM NC(=O)c1cc([C@@H]2CCCN(C(=O)CNC(=O)c3ncccc3[O-])C2)n[nH]1 ZINC000490192227 485171161 /nfs/dbraw/zinc/17/11/61/485171161.db2.gz CZPRBTUNIVNYTO-SNVBAGLBSA-N -1 1 372.385 -0.255 20 0 FBADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCSC2)o1 ZINC000490401605 485173376 /nfs/dbraw/zinc/17/33/76/485173376.db2.gz XHHYBVCUIYSXEQ-SECBINFHSA-N -1 1 361.445 -0.084 20 0 FBADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCSC2)o1 ZINC000490401613 485173318 /nfs/dbraw/zinc/17/33/18/485173318.db2.gz XHHYBVCUIYSXEQ-VIFPVBQESA-N -1 1 361.445 -0.084 20 0 FBADMM COCc1nc2n(n1)C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])CC2 ZINC000490427648 485174012 /nfs/dbraw/zinc/17/40/12/485174012.db2.gz BKEUDESAUDMASM-JTQLQIEISA-N -1 1 360.374 -0.614 20 0 FBADMM COCc1nc2n(n1)C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])CC2 ZINC000490427650 485174702 /nfs/dbraw/zinc/17/47/02/485174702.db2.gz BKEUDESAUDMASM-SNVBAGLBSA-N -1 1 360.374 -0.614 20 0 FBADMM CC(C)c1nnc(CC[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)s1 ZINC000490451216 485173949 /nfs/dbraw/zinc/17/39/49/485173949.db2.gz FVEZPQBXVOREJE-UHFFFAOYSA-N -1 1 373.460 -0.420 20 0 FBADMM CNC(=O)[C@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000490504606 485175513 /nfs/dbraw/zinc/17/55/13/485175513.db2.gz FADDPDWBZUJEJM-ZETCQYMHSA-N -1 1 353.397 -0.390 20 0 FBADMM NC(=O)NC(=O)C1CCC(NC(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC000490542828 485176857 /nfs/dbraw/zinc/17/68/57/485176857.db2.gz JJHHNRJCXNPDDO-UHFFFAOYSA-N -1 1 363.374 -0.613 20 0 FBADMM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)CNC(=O)c1ncccc1[O-] ZINC000490548541 485176937 /nfs/dbraw/zinc/17/69/37/485176937.db2.gz XATFGUAETNBSKR-GHMZBOCLSA-N -1 1 370.431 -0.649 20 0 FBADMM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)CNC(=O)c1ncccc1[O-] ZINC000490548542 485176292 /nfs/dbraw/zinc/17/62/92/485176292.db2.gz XATFGUAETNBSKR-MNOVXSKESA-N -1 1 370.431 -0.649 20 0 FBADMM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)CNC(=O)c1ncccc1[O-] ZINC000490548543 485176194 /nfs/dbraw/zinc/17/61/94/485176194.db2.gz XATFGUAETNBSKR-QWRGUYRKSA-N -1 1 370.431 -0.649 20 0 FBADMM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)CNC(=O)c1ncccc1[O-] ZINC000490548544 485176595 /nfs/dbraw/zinc/17/65/95/485176595.db2.gz XATFGUAETNBSKR-WDEREUQCSA-N -1 1 370.431 -0.649 20 0 FBADMM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000490553587 485176354 /nfs/dbraw/zinc/17/63/54/485176354.db2.gz BDLXZZZOIDQUKR-UHFFFAOYSA-N -1 1 361.420 -0.516 20 0 FBADMM COCc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)c1ncccc1[O-] ZINC000490564927 485177069 /nfs/dbraw/zinc/17/70/69/485177069.db2.gz MBUGVKMQGIQGEF-JTQLQIEISA-N -1 1 360.374 -0.094 20 0 FBADMM COCc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)c1ncccc1[O-] ZINC000490564930 485176765 /nfs/dbraw/zinc/17/67/65/485176765.db2.gz MBUGVKMQGIQGEF-SNVBAGLBSA-N -1 1 360.374 -0.094 20 0 FBADMM CN(C(=O)CNC(=O)c1ncccc1[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000490583370 485177841 /nfs/dbraw/zinc/17/78/41/485177841.db2.gz JCFAOEDQHDDBIN-UHFFFAOYSA-N -1 1 370.431 -0.601 20 0 FBADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC000490583561 485178383 /nfs/dbraw/zinc/17/83/83/485178383.db2.gz HBLYXCUYAHYOQO-GFCCVEGCSA-N -1 1 369.381 -0.057 20 0 FBADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CCN(C(=O)c2ccccn2)C1 ZINC000490583574 485177826 /nfs/dbraw/zinc/17/78/26/485177826.db2.gz HBLYXCUYAHYOQO-LBPRGKRZSA-N -1 1 369.381 -0.057 20 0 FBADMM Cn1cnn(CC(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])c1=O ZINC000490649940 485177531 /nfs/dbraw/zinc/17/75/31/485177531.db2.gz WHGAYCCBJNYKBF-UHFFFAOYSA-N -1 1 367.387 -0.633 20 0 FBADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCCC[C@H]2O)o1 ZINC000490744155 485179067 /nfs/dbraw/zinc/17/90/67/485179067.db2.gz PHOWVCXHCAXRGY-NXEZZACHSA-N -1 1 359.404 -0.533 20 0 FBADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000490870920 485181756 /nfs/dbraw/zinc/18/17/56/485181756.db2.gz JPXMOZVFICDVCT-GFCCVEGCSA-N -1 1 372.385 -0.253 20 0 FBADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000490870921 485181398 /nfs/dbraw/zinc/18/13/98/485181398.db2.gz JPXMOZVFICDVCT-LBPRGKRZSA-N -1 1 372.385 -0.253 20 0 FBADMM CCc1cnccc1CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000490921759 485181323 /nfs/dbraw/zinc/18/13/23/485181323.db2.gz MIBKUCBIAAYHSZ-UHFFFAOYSA-N -1 1 366.399 -0.069 20 0 FBADMM O=C(CNC(=O)c1ncccc1[O-])NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000491026800 485182677 /nfs/dbraw/zinc/18/26/77/485182677.db2.gz ICIPKDASHCSFKJ-ABKXIKBNSA-N -1 1 361.358 -0.989 20 0 FBADMM O=C(CNC(=O)c1ncccc1[O-])NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000491026804 485182854 /nfs/dbraw/zinc/18/28/54/485182854.db2.gz ICIPKDASHCSFKJ-FVMDXXJSSA-N -1 1 361.358 -0.989 20 0 FBADMM O=C(CNC(=O)c1ncccc1[O-])NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000491026805 485182998 /nfs/dbraw/zinc/18/29/98/485182998.db2.gz ICIPKDASHCSFKJ-JDNHERCYSA-N -1 1 361.358 -0.989 20 0 FBADMM O=C(CNC(=O)c1ncccc1[O-])NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000491026806 485183537 /nfs/dbraw/zinc/18/35/37/485183537.db2.gz ICIPKDASHCSFKJ-XXFAHNHDSA-N -1 1 361.358 -0.989 20 0 FBADMM CCc1nc([C@H]2CN(C(=O)CNC(=O)c3ncccc3[O-])CCO2)n[nH]1 ZINC000491089400 485184216 /nfs/dbraw/zinc/18/42/16/485184216.db2.gz APLWVIIERZJUPW-LLVKDONJSA-N -1 1 360.374 -0.202 20 0 FBADMM CCc1nnc([C@H]2CN(C(=O)CNC(=O)c3ncccc3[O-])CCO2)[nH]1 ZINC000491089400 485184212 /nfs/dbraw/zinc/18/42/12/485184212.db2.gz APLWVIIERZJUPW-LLVKDONJSA-N -1 1 360.374 -0.202 20 0 FBADMM CCc1nc([C@@H]2CN(C(=O)CNC(=O)c3ncccc3[O-])CCO2)n[nH]1 ZINC000491089401 485184577 /nfs/dbraw/zinc/18/45/77/485184577.db2.gz APLWVIIERZJUPW-NSHDSACASA-N -1 1 360.374 -0.202 20 0 FBADMM CCc1nnc([C@@H]2CN(C(=O)CNC(=O)c3ncccc3[O-])CCO2)[nH]1 ZINC000491089401 485184574 /nfs/dbraw/zinc/18/45/74/485184574.db2.gz APLWVIIERZJUPW-NSHDSACASA-N -1 1 360.374 -0.202 20 0 FBADMM Cc1nc(C)n(C[C@H]2CN(C(=O)CNC(=O)c3ncccc3[O-])CCO2)n1 ZINC000491090297 485183982 /nfs/dbraw/zinc/18/39/82/485183982.db2.gz XUTULRCDSOTDJR-CYBMUJFWSA-N -1 1 374.401 -0.347 20 0 FBADMM Cc1nc(C)n(C[C@@H]2CN(C(=O)CNC(=O)c3ncccc3[O-])CCO2)n1 ZINC000491090298 485183943 /nfs/dbraw/zinc/18/39/43/485183943.db2.gz XUTULRCDSOTDJR-ZDUSSCGKSA-N -1 1 374.401 -0.347 20 0 FBADMM Cn1cc(S(=O)(=O)[N-]c2ccc(OCC(N)=O)cc2)cc1C(N)=O ZINC000491095176 485184344 /nfs/dbraw/zinc/18/43/44/485184344.db2.gz XVRAMSNHKJTGGF-UHFFFAOYSA-N -1 1 352.372 -0.211 20 0 FBADMM COC(=O)C[C@@H](C)N1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC000491163486 485184559 /nfs/dbraw/zinc/18/45/59/485184559.db2.gz 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NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000510021407 484120308 /nfs/dbraw/zinc/12/03/08/484120308.db2.gz YXISDDNIJSOHJA-ZDUSSCGKSA-N -1 1 354.366 -0.044 20 0 FBADMM CS(=O)(=O)NC[C@H]1CCCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000510026842 484119747 /nfs/dbraw/zinc/11/97/47/484119747.db2.gz BUHJRTLWYXXIRN-LLVKDONJSA-N -1 1 370.431 -0.553 20 0 FBADMM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000510026843 484119791 /nfs/dbraw/zinc/11/97/91/484119791.db2.gz BUHJRTLWYXXIRN-NSHDSACASA-N -1 1 370.431 -0.553 20 0 FBADMM NC(=O)CNC(=O)c1cccc(NC(=O)CNC(=O)c2ncccc2[O-])c1 ZINC000510205398 484122679 /nfs/dbraw/zinc/12/26/79/484122679.db2.gz CZNHPBLUKRPLGJ-UHFFFAOYSA-N -1 1 371.353 -0.629 20 0 FBADMM CN([C@@H]1COC[C@H]1O)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000510486894 484133475 /nfs/dbraw/zinc/13/34/75/484133475.db2.gz CRUVFBSWHDBRCU-GHMZBOCLSA-N -1 1 368.408 -0.423 20 0 FBADMM CCN(C)C(=O)[C@@H]1CSCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000510561532 484134773 /nfs/dbraw/zinc/13/47/73/484134773.db2.gz XBSOKDROOOXSAK-JTQLQIEISA-N -1 1 352.416 -0.103 20 0 FBADMM CCN(C)C(=O)[C@H]1CSCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000510561533 484135401 /nfs/dbraw/zinc/13/54/01/484135401.db2.gz XBSOKDROOOXSAK-SNVBAGLBSA-N -1 1 352.416 -0.103 20 0 FBADMM O=C(CNC(=O)c1ncccc1[O-])N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000510577740 484137240 /nfs/dbraw/zinc/13/72/40/484137240.db2.gz IGSFKSFNOBNSNK-LLVKDONJSA-N -1 1 353.400 -0.305 20 0 FBADMM O=C(CNC(=O)c1ncccc1[O-])N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000510577744 484136478 /nfs/dbraw/zinc/13/64/78/484136478.db2.gz IGSFKSFNOBNSNK-NSHDSACASA-N -1 1 353.400 -0.305 20 0 FBADMM O=C(CNC(=O)c1ncccc1[O-])N1CSC[C@@H]1C(=O)NCC1CC1 ZINC000510609867 484136737 /nfs/dbraw/zinc/13/67/37/484136737.db2.gz SSVZXMMSWQZIHZ-LLVKDONJSA-N -1 1 364.427 -0.055 20 0 FBADMM O=C(CNC(=O)c1ncccc1[O-])N1CSC[C@H]1C(=O)NCC1CC1 ZINC000510609868 484136906 /nfs/dbraw/zinc/13/69/06/484136906.db2.gz SSVZXMMSWQZIHZ-NSHDSACASA-N -1 1 364.427 -0.055 20 0 FBADMM O=C(c1ncccc1[O-])N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000510696417 484138355 /nfs/dbraw/zinc/13/83/55/484138355.db2.gz ADVRFQCNBUGUOR-UHFFFAOYSA-N -1 1 356.404 -0.878 20 0 FBADMM COC(=O)[C@H](CNC(=O)CNC(=O)c1ncccc1[O-])C1CCOCC1 ZINC000510794751 484140068 /nfs/dbraw/zinc/14/00/68/484140068.db2.gz FEROQPQHPKNRIS-GFCCVEGCSA-N -1 1 365.386 -0.151 20 0 FBADMM COC(=O)[C@@H](CNC(=O)CNC(=O)c1ncccc1[O-])C1CCOCC1 ZINC000510794753 484139773 /nfs/dbraw/zinc/13/97/73/484139773.db2.gz FEROQPQHPKNRIS-LBPRGKRZSA-N -1 1 365.386 -0.151 20 0 FBADMM CN(CCC(N)=O)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000510983503 484144657 /nfs/dbraw/zinc/14/46/57/484144657.db2.gz NMGRZMBHDFMBSA-UHFFFAOYSA-N -1 1 353.397 -0.307 20 0 FBADMM Cc1nc([C@@H](C)NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)n[nH]1 ZINC000511043151 484146317 /nfs/dbraw/zinc/14/63/17/484146317.db2.gz HBCWPOBDKDZIBI-RXMQYKEDSA-N -1 1 351.348 -0.098 20 0 FBADMM Cc1nc([C@H](C)NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)n[nH]1 ZINC000511043155 484145503 /nfs/dbraw/zinc/14/55/03/484145503.db2.gz HBCWPOBDKDZIBI-YFKPBYRVSA-N -1 1 351.348 -0.098 20 0 FBADMM CS(=O)(=O)c1ccc(NC(=O)CNC(=O)c2ncccc2[O-])cn1 ZINC000511058284 484147016 /nfs/dbraw/zinc/14/70/16/484147016.db2.gz QWJBEPZGIAOJGK-UHFFFAOYSA-N -1 1 350.356 -0.046 20 0 FBADMM NC(=O)C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])C1CCOCC1 ZINC000511090036 484147367 /nfs/dbraw/zinc/14/73/67/484147367.db2.gz HRJJRKIKTJALBL-LLVKDONJSA-N -1 1 350.375 -0.696 20 0 FBADMM NC(=O)C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])C1CCOCC1 ZINC000511090046 484148305 /nfs/dbraw/zinc/14/83/05/484148305.db2.gz HRJJRKIKTJALBL-NSHDSACASA-N -1 1 350.375 -0.696 20 0 FBADMM COC(=O)CC1(NC(=O)CNC(=O)c2ncccc2[O-])CCOCC1 ZINC000511104243 484149526 /nfs/dbraw/zinc/14/95/26/484149526.db2.gz AZISJZRPQQIURV-UHFFFAOYSA-N -1 1 351.359 -0.255 20 0 FBADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000511114964 484149147 /nfs/dbraw/zinc/14/91/47/484149147.db2.gz KKFTVFKWUFXUCI-LLVKDONJSA-N -1 1 367.431 -0.126 20 0 FBADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000511114968 484148850 /nfs/dbraw/zinc/14/88/50/484148850.db2.gz KKFTVFKWUFXUCI-NSHDSACASA-N -1 1 367.431 -0.126 20 0 FBADMM CC[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])C(=O)N1CCOCC1 ZINC000511163487 484150403 /nfs/dbraw/zinc/15/04/03/484150403.db2.gz XFVVMDLLIXLJBO-LLVKDONJSA-N -1 1 350.375 -0.729 20 0 FBADMM CC[C@H](NC(=O)CNC(=O)c1ncccc1[O-])C(=O)N1CCOCC1 ZINC000511163489 484150984 /nfs/dbraw/zinc/15/09/84/484150984.db2.gz XFVVMDLLIXLJBO-NSHDSACASA-N -1 1 350.375 -0.729 20 0 FBADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc(CC(=O)NCCO)cc1 ZINC000511173911 484150447 /nfs/dbraw/zinc/15/04/47/484150447.db2.gz QDKADNSQFBKQFW-UHFFFAOYSA-N -1 1 372.381 -0.193 20 0 FBADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](CO)C(N)=O ZINC000511239762 484152150 /nfs/dbraw/zinc/15/21/50/484152150.db2.gz ISQBFORSFIDNEI-QMMMGPOBSA-N -1 1 371.198 -0.096 20 0 FBADMM NC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000511317428 484154854 /nfs/dbraw/zinc/15/48/54/484154854.db2.gz WAJALRBGIBYPHT-ZETCQYMHSA-N -1 1 359.148 -0.148 20 0 FBADMM O=C(CNC(=O)c1ncccc1[O-])N(CCO)CCOCC(F)(F)F ZINC000511400757 484156738 /nfs/dbraw/zinc/15/67/38/484156738.db2.gz SMPGDTPFYMFJTK-UHFFFAOYSA-N -1 1 365.308 -0.083 20 0 FBADMM COC(=O)[C@@H](O)C1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC000511607157 484164178 /nfs/dbraw/zinc/16/41/78/484164178.db2.gz SGEIPANWWFIRCC-AWEZNQCLSA-N -1 1 351.359 -0.711 20 0 FBADMM COC(=O)[C@H](O)C1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC000511607158 484163914 /nfs/dbraw/zinc/16/39/14/484163914.db2.gz SGEIPANWWFIRCC-CQSZACIVSA-N -1 1 351.359 -0.711 20 0 FBADMM CCOC(=O)[C@H](NC(=O)CNC(=O)c1ncccc1[O-])[C@@H]1CCCOC1 ZINC000511635253 484164688 /nfs/dbraw/zinc/16/46/88/484164688.db2.gz QTEDLCNHMQFFPL-BXUZGUMPSA-N -1 1 365.386 -0.009 20 0 FBADMM CCOC(=O)[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])[C@H]1CCCOC1 ZINC000511635254 484164881 /nfs/dbraw/zinc/16/48/81/484164881.db2.gz QTEDLCNHMQFFPL-FZMZJTMJSA-N -1 1 365.386 -0.009 20 0 FBADMM CCOC(=O)[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])[C@@H]1CCCOC1 ZINC000511635255 484164954 /nfs/dbraw/zinc/16/49/54/484164954.db2.gz QTEDLCNHMQFFPL-RISCZKNCSA-N -1 1 365.386 -0.009 20 0 FBADMM CCOC(=O)[C@H](NC(=O)CNC(=O)c1ncccc1[O-])[C@H]1CCCOC1 ZINC000511635256 484164973 /nfs/dbraw/zinc/16/49/73/484164973.db2.gz QTEDLCNHMQFFPL-SMDDNHRTSA-N -1 1 365.386 -0.009 20 0 FBADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000511872633 484171038 /nfs/dbraw/zinc/17/10/38/484171038.db2.gz CMMNCJMBPILSFN-UHFFFAOYSA-N -1 1 360.374 -0.002 20 0 FBADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCCN1C(=O)CNC1=O ZINC000511879759 484170075 /nfs/dbraw/zinc/17/00/75/484170075.db2.gz MTXQYSOBTCLXEF-UHFFFAOYSA-N -1 1 360.374 0.000 20 0 FBADMM Cn1ncc2c1[n-]cc(C(=O)NCCN1CCS(=O)(=O)CC1)c2=O ZINC000511901929 484170450 /nfs/dbraw/zinc/17/04/50/484170450.db2.gz RMTLTZXHKPZMLJ-UHFFFAOYSA-N -1 1 353.404 -0.866 20 0 FBADMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)c2=O ZINC000511906508 484170225 /nfs/dbraw/zinc/17/02/25/484170225.db2.gz POUYOQQERDOMEH-SECBINFHSA-N -1 1 353.404 -0.172 20 0 FBADMM Cn1ncc2c1[n-]cc(C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)c2=O ZINC000511906513 484171001 /nfs/dbraw/zinc/17/10/01/484171001.db2.gz POUYOQQERDOMEH-VIFPVBQESA-N -1 1 353.404 -0.172 20 0 FBADMM Cn1ncc2c1[n-]cc(C(=O)NC1CCN(S(C)(=O)=O)CC1)c2=O ZINC000511965435 484173142 /nfs/dbraw/zinc/17/31/42/484173142.db2.gz RHVPOYYRHLVXJQ-UHFFFAOYSA-N -1 1 353.404 -0.172 20 0 FBADMM O=C(Nc1ccncc1[O-])c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000511983177 484173346 /nfs/dbraw/zinc/17/33/46/484173346.db2.gz MJJPLMNIJSHDPJ-UHFFFAOYSA-N -1 1 358.339 -0.127 20 0 FBADMM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccncc1[O-] ZINC000512000178 484174869 /nfs/dbraw/zinc/17/48/69/484174869.db2.gz IOIMUSIAFQJHGO-SECBINFHSA-N -1 1 353.404 -0.135 20 0 FBADMM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccncc1[O-] ZINC000512000179 484174371 /nfs/dbraw/zinc/17/43/71/484174371.db2.gz IOIMUSIAFQJHGO-VIFPVBQESA-N -1 1 353.404 -0.135 20 0 FBADMM COC(=O)CCN1CC[C@@H](NC(=O)c2c[n-]c3c(cnn3C)c2=O)C1=O ZINC000512001569 484175209 /nfs/dbraw/zinc/17/52/09/484175209.db2.gz KTWRIGAYNCPIJN-LLVKDONJSA-N -1 1 361.358 -0.432 20 0 FBADMM COC(=O)CCN1CC[C@H](NC(=O)c2c[n-]c3c(cnn3C)c2=O)C1=O ZINC000512001575 484174296 /nfs/dbraw/zinc/17/42/96/484174296.db2.gz KTWRIGAYNCPIJN-NSHDSACASA-N -1 1 361.358 -0.432 20 0 FBADMM Cn1[n-]cc2c(=O)c(C(=O)Nc3cnn(CC(=O)NCCO)c3)cnc1-2 ZINC000512003243 484174403 /nfs/dbraw/zinc/17/44/03/484174403.db2.gz UNJQHIIQELIQAV-UHFFFAOYSA-N -1 1 359.346 -0.769 20 0 FBADMM O=C(Nc1ccncc1[O-])c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000512007689 484174657 /nfs/dbraw/zinc/17/46/57/484174657.db2.gz KAKOKDZRJLVBNX-UHFFFAOYSA-N -1 1 352.372 -0.190 20 0 FBADMM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1ccncc1[O-] ZINC000512013227 484174674 /nfs/dbraw/zinc/17/46/74/484174674.db2.gz ZAUQNBXBAYSLAX-SECBINFHSA-N -1 1 364.383 -0.387 20 0 FBADMM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1ccncc1[O-] ZINC000512013230 658864910 /nfs/dbraw/zinc/86/49/10/658864910.db2.gz ZAUQNBXBAYSLAX-VIFPVBQESA-N -1 1 364.383 -0.387 20 0 FBADMM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512034889 484174254 /nfs/dbraw/zinc/17/42/54/484174254.db2.gz XWKIFVLVMBNTIS-LLVKDONJSA-N -1 1 360.374 -0.859 20 0 FBADMM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512034891 484174542 /nfs/dbraw/zinc/17/45/42/484174542.db2.gz XWKIFVLVMBNTIS-NSHDSACASA-N -1 1 360.374 -0.859 20 0 FBADMM Cn1ncc2c1[n-]cc(C(=O)N1CCN(CCn3cncn3)CC1)c2=O ZINC000512095405 484176737 /nfs/dbraw/zinc/17/67/37/484176737.db2.gz GHGLSMROPVZPJF-UHFFFAOYSA-N -1 1 356.390 -0.277 20 0 FBADMM CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512153067 484177602 /nfs/dbraw/zinc/17/76/02/484177602.db2.gz HBLCAZNTWQGPCR-SECBINFHSA-N -1 1 353.404 -0.172 20 0 FBADMM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512153068 484177451 /nfs/dbraw/zinc/17/74/51/484177451.db2.gz HBLCAZNTWQGPCR-VIFPVBQESA-N -1 1 353.404 -0.172 20 0 FBADMM Cn1ncc2c1[n-]cc(C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)c2=O ZINC000512166401 484178363 /nfs/dbraw/zinc/17/83/63/484178363.db2.gz TVUNIZHSBBVUEI-SECBINFHSA-N -1 1 353.404 -0.315 20 0 FBADMM Cn1ncc2c1[n-]cc(C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)c2=O ZINC000512166403 484177937 /nfs/dbraw/zinc/17/79/37/484177937.db2.gz TVUNIZHSBBVUEI-VIFPVBQESA-N -1 1 353.404 -0.315 20 0 FBADMM Cn1ncc2c1[n-]cc(C(=O)N1CCN(c3nccn(C)c3=O)CC1)c2=O ZINC000512169160 484177837 /nfs/dbraw/zinc/17/78/37/484177837.db2.gz FSPUOUGNFBJPSF-UHFFFAOYSA-N -1 1 369.385 -0.270 20 0 FBADMM COC(=O)c1cn(C2CN(C(=O)c3c[n-]c4c(cnn4C)c3=O)C2)nn1 ZINC000512197343 484180292 /nfs/dbraw/zinc/18/02/92/484180292.db2.gz PNQLDKZOGWUVMK-UHFFFAOYSA-N -1 1 357.330 -0.251 20 0 FBADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)[C@@H]1CCCOC1 ZINC000512408569 484185753 /nfs/dbraw/zinc/18/57/53/484185753.db2.gz AAHRUWKJCDETSU-NEPJUHHUSA-N -1 1 371.477 -0.301 20 0 FBADMM CCOC(=O)[C@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)[C@H]1CCCOC1 ZINC000512408583 484185824 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FBADMM COc1ccc(NC(=O)CN2CC(=O)NC2=O)cc1[N-]S(C)(=O)=O ZINC000599302361 483805981 /nfs/dbraw/zinc/80/59/81/483805981.db2.gz ZUZIICXKQODDSW-UHFFFAOYSA-N -1 1 356.360 -0.443 20 0 FBADMM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2CCC(=O)N(C)C2=O)on1 ZINC000599330156 483807437 /nfs/dbraw/zinc/80/74/37/483807437.db2.gz IAQSZVIUGGORHQ-SECBINFHSA-N -1 1 359.360 -0.582 20 0 FBADMM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2CCC(=O)N(C)C2=O)on1 ZINC000599330157 483807281 /nfs/dbraw/zinc/80/72/81/483807281.db2.gz IAQSZVIUGGORHQ-VIFPVBQESA-N -1 1 359.360 -0.582 20 0 FBADMM CCOc1ccc(S(=O)(=O)NCCC(=O)NCc2nn[n-]n2)cc1 ZINC000599334035 483807252 /nfs/dbraw/zinc/80/72/52/483807252.db2.gz GQUMWCKDFHKGOS-UHFFFAOYSA-N -1 1 354.392 -0.417 20 0 FBADMM O=C(NCc1nn[n-]n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000599334123 483807624 /nfs/dbraw/zinc/80/76/24/483807624.db2.gz FWKVDPOGZPTBDA-UHFFFAOYSA-N -1 1 352.376 -0.849 20 0 FBADMM CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCc2nn[n-]n2)cc1 ZINC000599334280 483807578 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COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2nn[n-]n2)c1 ZINC000599334440 483807320 /nfs/dbraw/zinc/80/73/20/483807320.db2.gz MZWHBCYKSMAUKZ-UHFFFAOYSA-N -1 1 354.392 -0.637 20 0 FBADMM COc1ccc(C(=O)NCc2nn[n-]n2)cc1S(=O)(=O)NC1CC1 ZINC000599334454 483807635 /nfs/dbraw/zinc/80/76/35/483807635.db2.gz MWPUMYGCSPXTQD-UHFFFAOYSA-N -1 1 352.376 -0.421 20 0 FBADMM O=C(NCc1nn[n-]n1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000599334463 483807355 /nfs/dbraw/zinc/80/73/55/483807355.db2.gz OCALMXUBXTZWFH-UHFFFAOYSA-N -1 1 352.376 -0.849 20 0 FBADMM Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1nn[n-]n1 ZINC000599334477 483807464 /nfs/dbraw/zinc/80/74/64/483807464.db2.gz ORWXXEQJHLJIKK-UHFFFAOYSA-N -1 1 353.408 -0.357 20 0 FBADMM Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2nn[n-]n2)cc1 ZINC000599334623 483807586 /nfs/dbraw/zinc/80/75/86/483807586.db2.gz NPJSQNCJZOLPAP-LBPRGKRZSA-N -1 1 350.404 -0.022 20 0 FBADMM COc1ccc(C(=O)NCc2nn[n-]n2)cc1S(=O)(=O)NC(C)C ZINC000599334655 483807595 /nfs/dbraw/zinc/80/75/95/483807595.db2.gz 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COC(=O)[C@@H]1CC[C@@H](C(=O)OC)N(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC000600322456 483607857 /nfs/dbraw/zinc/60/78/57/483607857.db2.gz APHOQJHABBDEGS-SFYZADRCSA-N -1 1 369.330 -0.537 20 0 FBADMM COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC000600322458 483607684 /nfs/dbraw/zinc/60/76/84/483607684.db2.gz APHOQJHABBDEGS-YUMQZZPRSA-N -1 1 369.330 -0.537 20 0 FBADMM O=C(NCc1nn[n-]n1)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000600495137 483782217 /nfs/dbraw/zinc/78/22/17/483782217.db2.gz KBDQSCAESHNHTH-UHFFFAOYSA-N -1 1 374.473 -0.071 20 0 FBADMM O=C(NCc1nn[n-]n1)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 ZINC000600495208 483782476 /nfs/dbraw/zinc/78/24/76/483782476.db2.gz KHRLQTMBUWSXAB-UHFFFAOYSA-N -1 1 359.371 -0.253 20 0 FBADMM O=C(NCc1nn[n-]n1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000600495386 483782261 /nfs/dbraw/zinc/78/22/61/483782261.db2.gz MAFJVDFXDZVAKC-GHMZBOCLSA-N -1 1 350.379 -0.202 20 0 FBADMM O=C(NCc1nn[n-]n1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000600495389 483782407 /nfs/dbraw/zinc/78/24/07/483782407.db2.gz MAFJVDFXDZVAKC-MNOVXSKESA-N -1 1 350.379 -0.202 20 0 FBADMM O=C(NCc1nn[n-]n1)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000600495390 483782414 /nfs/dbraw/zinc/78/24/14/483782414.db2.gz MAFJVDFXDZVAKC-QWRGUYRKSA-N -1 1 350.379 -0.202 20 0 FBADMM O=C(NCc1nn[n-]n1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000600495391 483782581 /nfs/dbraw/zinc/78/25/81/483782581.db2.gz MAFJVDFXDZVAKC-WDEREUQCSA-N -1 1 350.379 -0.202 20 0 FBADMM O=C(NCc1nn[n-]n1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000600496007 483782835 /nfs/dbraw/zinc/78/28/35/483782835.db2.gz PKBXXIRLWTUVPR-UHFFFAOYSA-N -1 1 350.404 -0.083 20 0 FBADMM O=C(NCc1nn[n-]n1)c1nccnc1C(=O)NCc1ccc(F)cc1 ZINC000600496311 483783104 /nfs/dbraw/zinc/78/31/04/483783104.db2.gz BIHRRIDZHAMGBI-UHFFFAOYSA-N -1 1 356.321 -0.011 20 0 FBADMM O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NCc1nn[n-]n1 ZINC000600496312 483783150 /nfs/dbraw/zinc/78/31/50/483783150.db2.gz BKIWSLINACVSIQ-UHFFFAOYSA-N -1 1 365.147 -0.125 20 0 FBADMM O=C(Cn1cnc2ccc(Br)cc2c1=O)NCc1nn[n-]n1 ZINC000600496313 483782958 /nfs/dbraw/zinc/78/29/58/483782958.db2.gz BNOLYPFDMHLMIX-UHFFFAOYSA-N -1 1 364.163 -0.012 20 0 FBADMM O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NCc1nn[n-]n1 ZINC000600496376 483783009 /nfs/dbraw/zinc/78/30/09/483783009.db2.gz GEQAGDHUKIBKEC-AWEZNQCLSA-N -1 1 355.358 -0.708 20 0 FBADMM O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NCc1nn[n-]n1 ZINC000600496783 483783166 /nfs/dbraw/zinc/78/31/66/483783166.db2.gz GEQAGDHUKIBKEC-CQSZACIVSA-N -1 1 355.358 -0.708 20 0 FBADMM O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCc1nn[n-]n1 ZINC000600496835 483783085 /nfs/dbraw/zinc/78/30/85/483783085.db2.gz GYJZLMJXFRVDAR-UHFFFAOYSA-N -1 1 350.404 -0.111 20 0 FBADMM C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCc3nn[n-]n3)n(C)c2)C1 ZINC000600497405 483783629 /nfs/dbraw/zinc/78/36/29/483783629.db2.gz LRNKQAHZPNTAMC-JTQLQIEISA-N -1 1 367.435 -0.111 20 0 FBADMM C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCc3nn[n-]n3)n(C)c2)C1 ZINC000600497419 483783709 /nfs/dbraw/zinc/78/37/09/483783709.db2.gz LRNKQAHZPNTAMC-SNVBAGLBSA-N -1 1 367.435 -0.111 20 0 FBADMM O=C(NCc1nn[n-]n1)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000600497715 483783639 /nfs/dbraw/zinc/78/36/39/483783639.db2.gz PUJLFOCDEDCEIX-UHFFFAOYSA-N -1 1 350.404 -0.640 20 0 FBADMM COCCNC(=O)CSc1ccccc1C(=O)NCc1nn[n-]n1 ZINC000600503320 483784182 /nfs/dbraw/zinc/78/41/82/483784182.db2.gz FKZLMISNKSTCAN-UHFFFAOYSA-N -1 1 350.404 -0.016 20 0 FBADMM Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2nn[n-]n2)C1 ZINC000600504055 483784287 /nfs/dbraw/zinc/78/42/87/483784287.db2.gz GDZNYJXBWFSLDQ-JTQLQIEISA-N -1 1 369.407 -0.478 20 0 FBADMM Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2nn[n-]n2)C1 ZINC000600504068 483784081 /nfs/dbraw/zinc/78/40/81/483784081.db2.gz GDZNYJXBWFSLDQ-SNVBAGLBSA-N -1 1 369.407 -0.478 20 0 FBADMM O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NCc1nn[n-]n1 ZINC000600505791 483784791 /nfs/dbraw/zinc/78/47/91/483784791.db2.gz SFMSFZIOWLTAMB-UHFFFAOYSA-N -1 1 353.360 -0.549 20 0 FBADMM Cc1ccc(C(=O)NCc2nn[n-]n2)cc1S(=O)(=O)N1CCOCC1 ZINC000600506327 483784662 /nfs/dbraw/zinc/78/46/62/483784662.db2.gz VOQXDPODFOCBSF-UHFFFAOYSA-N -1 1 366.403 -0.541 20 0 FBADMM Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1nn[n-]n1 ZINC000600506443 483784526 /nfs/dbraw/zinc/78/45/26/483784526.db2.gz XQYKWORRMROBFW-UHFFFAOYSA-N -1 1 366.403 -0.541 20 0 FBADMM COc1ccc(S(=O)(=O)N(C)CCCC(=O)NCc2nn[n-]n2)cc1 ZINC000600506467 483784592 /nfs/dbraw/zinc/78/45/92/483784592.db2.gz YMHUIKONRVPRGX-UHFFFAOYSA-N -1 1 368.419 -0.075 20 0 FBADMM COC(=O)CCN(C)S(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000600656661 483822677 /nfs/dbraw/zinc/82/26/77/483822677.db2.gz JYZKCPCCSIYMGR-UHFFFAOYSA-N -1 1 351.425 -0.793 20 0 FBADMM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1 ZINC000600657658 483822400 /nfs/dbraw/zinc/82/24/00/483822400.db2.gz RNSGGLPWLITHEI-UHFFFAOYSA-N -1 1 374.419 -0.244 20 0 FBADMM COC(=O)c1cc(S(=O)(=O)N2CC[NH+](C(C)(C)C(=O)[O-])CC2)c[n-]1 ZINC000600658232 483823249 /nfs/dbraw/zinc/82/32/49/483823249.db2.gz ZKYMCBMBMPXJDR-UHFFFAOYSA-N -1 1 359.404 -0.029 20 0 FBADMM CNC(=O)[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000600764186 483825709 /nfs/dbraw/zinc/82/57/09/483825709.db2.gz VVGUFJPUOQMGFC-LLVKDONJSA-N -1 1 361.370 -0.020 20 0 FBADMM CNC(=O)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000600764205 483825567 /nfs/dbraw/zinc/82/55/67/483825567.db2.gz VVGUFJPUOQMGFC-NSHDSACASA-N -1 1 361.370 -0.020 20 0 FBADMM CSc1n[nH]c([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@H]2C)n1 ZINC000600765933 483825698 /nfs/dbraw/zinc/82/56/98/483825698.db2.gz GDHNOYUSSFPSRV-HTQZYQBOSA-N -1 1 369.494 -0.014 20 0 FBADMM CCN1C[C@@H](S(=O)(=O)[N-]C2(C(=O)OC)CCSCC2)CC1=O ZINC000601379721 483512180 /nfs/dbraw/zinc/51/21/80/483512180.db2.gz NNNOSJROXUCWLM-JTQLQIEISA-N -1 1 350.462 -0.035 20 0 FBADMM CCN1C[C@H](S(=O)(=O)[N-]C2(C(=O)OC)CCSCC2)CC1=O ZINC000601379722 483512754 /nfs/dbraw/zinc/51/27/54/483512754.db2.gz NNNOSJROXUCWLM-SNVBAGLBSA-N -1 1 350.462 -0.035 20 0 FBADMM COC(=O)C1([N-]S(=O)(=O)C[C@H]2CN(C)CCO2)CCSCC1 ZINC000601379966 483511801 /nfs/dbraw/zinc/51/18/01/483511801.db2.gz QJLCLMCGFNZNNX-LLVKDONJSA-N -1 1 352.478 -0.325 20 0 FBADMM COC(=O)C1([N-]S(=O)(=O)C[C@@H]2CN(C)CCO2)CCSCC1 ZINC000601379967 483512695 /nfs/dbraw/zinc/51/26/95/483512695.db2.gz QJLCLMCGFNZNNX-NSHDSACASA-N -1 1 352.478 -0.325 20 0 FBADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CN(C)CCO1)C1CCOCC1 ZINC000601380114 483511965 /nfs/dbraw/zinc/51/19/65/483511965.db2.gz RJFJAUPKPXKEJD-KBPBESRZSA-N -1 1 364.464 -0.405 20 0 FBADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)C[C@H]1CN(C)CCO1)C1CCOCC1 ZINC000601380115 483512220 /nfs/dbraw/zinc/51/22/20/483512220.db2.gz RJFJAUPKPXKEJD-KGLIPLIRSA-N -1 1 364.464 -0.405 20 0 FBADMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@@H]1CN(C)CCO1)C1CCOCC1 ZINC000601380116 483512606 /nfs/dbraw/zinc/51/26/06/483512606.db2.gz RJFJAUPKPXKEJD-UONOGXRCSA-N -1 1 364.464 -0.405 20 0 FBADMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@H]1CN(C)CCO1)C1CCOCC1 ZINC000601380117 483511882 /nfs/dbraw/zinc/51/18/82/483511882.db2.gz RJFJAUPKPXKEJD-ZIAGYGMSSA-N -1 1 364.464 -0.405 20 0 FBADMM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000601404112 483521288 /nfs/dbraw/zinc/52/12/88/483521288.db2.gz SEBXLZSPNIXCJV-CABCVRRESA-N -1 1 371.459 -0.194 20 0 FBADMM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000601404113 483520310 /nfs/dbraw/zinc/52/03/10/483520310.db2.gz SEBXLZSPNIXCJV-GJZGRUSLSA-N -1 1 371.459 -0.194 20 0 FBADMM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000601404114 483521046 /nfs/dbraw/zinc/52/10/46/483521046.db2.gz SEBXLZSPNIXCJV-HUUCEWRRSA-N -1 1 371.459 -0.194 20 0 FBADMM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000601404115 483520218 /nfs/dbraw/zinc/52/02/18/483520218.db2.gz SEBXLZSPNIXCJV-LSDHHAIUSA-N -1 1 371.459 -0.194 20 0 FBADMM COC(=O)[C@H](Cc1ccncc1)[N-]S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000601420758 483525890 /nfs/dbraw/zinc/52/58/90/483525890.db2.gz WMOIEJQYRXOJOX-KBPBESRZSA-N -1 1 357.432 -0.584 20 0 FBADMM COC(=O)[C@H](Cc1ccncc1)[N-]S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000601420759 483526516 /nfs/dbraw/zinc/52/65/16/483526516.db2.gz WMOIEJQYRXOJOX-KGLIPLIRSA-N -1 1 357.432 -0.584 20 0 FBADMM COC(=O)[C@@H](Cc1ccncc1)[N-]S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000601420760 483525749 /nfs/dbraw/zinc/52/57/49/483525749.db2.gz WMOIEJQYRXOJOX-UONOGXRCSA-N -1 1 357.432 -0.584 20 0 FBADMM COC(=O)[C@@H](Cc1ccncc1)[N-]S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000601420761 483525319 /nfs/dbraw/zinc/52/53/19/483525319.db2.gz WMOIEJQYRXOJOX-ZIAGYGMSSA-N -1 1 357.432 -0.584 20 0 FBADMM COC(=O)[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000601473433 483552588 /nfs/dbraw/zinc/55/25/88/483552588.db2.gz GDKUSNPZWYKKNK-IHRRRGAJSA-N -1 1 364.464 -0.405 20 0 FBADMM COC(=O)[C@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000601473434 483552383 /nfs/dbraw/zinc/55/23/83/483552383.db2.gz GDKUSNPZWYKKNK-MCIONIFRSA-N -1 1 364.464 -0.405 20 0 FBADMM COC(=O)[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000601473436 483552487 /nfs/dbraw/zinc/55/24/87/483552487.db2.gz GDKUSNPZWYKKNK-MJBXVCDLSA-N -1 1 364.464 -0.405 20 0 FBADMM COC(=O)[C@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000601473437 483552518 /nfs/dbraw/zinc/55/25/18/483552518.db2.gz GDKUSNPZWYKKNK-RDBSUJKOSA-N -1 1 364.464 -0.405 20 0 FBADMM CCN1CCN([C@H]2CCN(C(=O)c3cccc(-n4[n-]nnc4=N)c3)C2)CC1 ZINC000602096448 483834557 /nfs/dbraw/zinc/83/45/57/483834557.db2.gz JRSSFCYTRICORG-INIZCTEOSA-N -1 1 370.461 -0.073 20 0 FBADMM CCN1CCN([C@@H]2CCN(C(=O)c3cccc(-n4[n-]nnc4=N)c3)C2)CC1 ZINC000602096451 483834481 /nfs/dbraw/zinc/83/44/81/483834481.db2.gz JRSSFCYTRICORG-MRXNPFEDSA-N -1 1 370.461 -0.073 20 0 FBADMM COC(=O)C[C@@H]([N-]S(=O)(=O)N1CCc2ccccc2C1)C(=O)OC ZINC000603440063 483851125 /nfs/dbraw/zinc/85/11/25/483851125.db2.gz WVTRDVOQCNEQCX-CYBMUJFWSA-N -1 1 356.400 -0.016 20 0 FBADMM COC(=O)C[C@H]([N-]S(=O)(=O)N1CCc2ccccc2C1)C(=O)OC ZINC000603440064 483851076 /nfs/dbraw/zinc/85/10/76/483851076.db2.gz WVTRDVOQCNEQCX-ZDUSSCGKSA-N -1 1 356.400 -0.016 20 0 FBADMM CC(C)[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)N1CCCC1 ZINC000603719296 483855656 /nfs/dbraw/zinc/85/56/56/483855656.db2.gz YTHSXXZRSSQTBP-LBPRGKRZSA-N -1 1 372.447 -0.991 20 0 FBADMM O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)c1cncc([O-])c1 ZINC000605335051 483412705 /nfs/dbraw/zinc/41/27/05/483412705.db2.gz CNFRYAVBHLTTSZ-UHFFFAOYSA-N -1 1 370.431 -0.442 20 0 FBADMM Cn1c(=O)c2ccc(C(=O)NC3(c4nn[n-]n4)CCCC3)nc2n(C)c1=O ZINC000605381689 483660372 /nfs/dbraw/zinc/66/03/72/483660372.db2.gz NDVJWXTWENOJCK-UHFFFAOYSA-N -1 1 370.373 -0.655 20 0 FBADMM O=C(COCC(=O)NC1(c2nn[n-]n2)CCCC1)NCc1cccnc1 ZINC000605381958 483660227 /nfs/dbraw/zinc/66/02/27/483660227.db2.gz MGQBHCGUMHLCHX-UHFFFAOYSA-N -1 1 359.390 -0.187 20 0 FBADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCN(S(N)(=O)=O)CC1)c2=O ZINC000605441902 660110718 /nfs/dbraw/zinc/11/07/18/660110718.db2.gz KDQWBDZNNSKSAF-UHFFFAOYSA-N -1 1 351.388 -0.395 20 0 FBADMM Cc1ccc2c([O-])c(C(=O)N3CCN(S(N)(=O)=O)CC3)cnc2n1 ZINC000605441902 660110717 /nfs/dbraw/zinc/11/07/17/660110717.db2.gz KDQWBDZNNSKSAF-UHFFFAOYSA-N -1 1 351.388 -0.395 20 0 FBADMM Cn1c(=O)c2cc(C(=O)NC3(c4nn[n-]n4)CCCC3)cnc2n(C)c1=O ZINC000605530125 483831843 /nfs/dbraw/zinc/83/18/43/483831843.db2.gz IUFAOQOJEOYKNW-UHFFFAOYSA-N -1 1 370.373 -0.655 20 0 FBADMM Cc1nc(S(=O)(=O)NCC(=O)NC2(c3nn[n-]n3)CCCC2)cn1C ZINC000605530918 483831646 /nfs/dbraw/zinc/83/16/46/483831646.db2.gz CLDSKWGCHJPZRG-UHFFFAOYSA-N -1 1 368.423 -0.894 20 0 FBADMM Cn1c(=O)[nH]c(=O)c2cc(C(=O)NC3(c4nn[n-]n4)CCCC3)cnc21 ZINC000605532208 483831686 /nfs/dbraw/zinc/83/16/86/483831686.db2.gz RRXMYTFPYQRWCF-UHFFFAOYSA-N -1 1 356.346 -0.254 20 0 FBADMM CN(C)S(=O)(=O)c1c[nH]c(C(=O)NC2(c3nn[n-]n3)CCCC2)c1 ZINC000605532218 483831813 /nfs/dbraw/zinc/83/18/13/483831813.db2.gz SHTCFVNGORDFBS-UHFFFAOYSA-N -1 1 353.408 -0.023 20 0 FBADMM O=C(NCc1nn[n-]n1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000606115997 483887391 /nfs/dbraw/zinc/88/73/91/483887391.db2.gz AJGFEGDFQGDEDB-UHFFFAOYSA-N -1 1 354.334 -0.557 20 0 FBADMM O=C(NCc1nn[n-]n1)C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000606116183 483887328 /nfs/dbraw/zinc/88/73/28/483887328.db2.gz AISHLNXPPRPLEF-UHFFFAOYSA-N -1 1 365.781 -0.055 20 0 FBADMM CSc1cc2c(cc1NC(=O)C(=O)NCc1nn[n-]n1)OCCO2 ZINC000606116196 483887107 /nfs/dbraw/zinc/88/71/07/483887107.db2.gz DVTCGHQHDWARGA-UHFFFAOYSA-N -1 1 350.360 -0.052 20 0 FBADMM CCCNC(=O)[C@H]1CN(C(=O)C(=O)NCc2nn[n-]n2)c2ccccc2O1 ZINC000606116361 483887346 /nfs/dbraw/zinc/88/73/46/483887346.db2.gz HXJIDHYFJKKJCJ-GFCCVEGCSA-N -1 1 373.373 -0.864 20 0 FBADMM CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2nn[n-]n2)c2ccccc2O1 ZINC000606116364 483887241 /nfs/dbraw/zinc/88/72/41/483887241.db2.gz HXJIDHYFJKKJCJ-LBPRGKRZSA-N -1 1 373.373 -0.864 20 0 FBADMM COc1ccc(NC(=O)C(=O)NCc2nn[n-]n2)cc1N1CCCCC1=O ZINC000606116476 483887381 /nfs/dbraw/zinc/88/73/81/483887381.db2.gz ZQGAFQIXZCLKRE-UHFFFAOYSA-N -1 1 373.373 -0.020 20 0 FBADMM C[C@H](c1cccc(NC(=O)C(=O)NCc2nn[n-]n2)c1)N1CCOCC1 ZINC000606116856 483887449 /nfs/dbraw/zinc/88/74/49/483887449.db2.gz HDFJVVNCJLCBEI-LLVKDONJSA-N -1 1 359.390 -0.152 20 0 FBADMM C[C@@H](c1cccc(NC(=O)C(=O)NCc2nn[n-]n2)c1)N1CCOCC1 ZINC000606116857 483887233 /nfs/dbraw/zinc/88/72/33/483887233.db2.gz HDFJVVNCJLCBEI-NSHDSACASA-N -1 1 359.390 -0.152 20 0 FBADMM O=C(NCc1nn[n-]n1)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O ZINC000606117906 483887253 /nfs/dbraw/zinc/88/72/53/483887253.db2.gz WUHCYOXDWLGQAY-UHFFFAOYSA-N -1 1 369.341 -0.539 20 0 FBADMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)ccn1 ZINC000606145821 483887137 /nfs/dbraw/zinc/88/71/37/483887137.db2.gz LTUUOTBCOQUKRR-UHFFFAOYSA-N -1 1 373.398 -0.018 20 0 FBADMM Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1)C2=O ZINC000606931557 483913276 /nfs/dbraw/zinc/91/32/76/483913276.db2.gz WBBPXPWIYAFZHI-UHFFFAOYSA-N -1 1 363.355 -0.249 20 0 FBADMM Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1)C2=O ZINC000606931557 483913269 /nfs/dbraw/zinc/91/32/69/483913269.db2.gz WBBPXPWIYAFZHI-UHFFFAOYSA-N -1 1 363.355 -0.249 20 0 FBADMM COc1ccc(S(=O)(=O)CCC(=O)NCc2nn[n-]n2)cc1OC ZINC000607115868 484237974 /nfs/dbraw/zinc/23/79/74/484237974.db2.gz BVVNCYPJSSRKAF-UHFFFAOYSA-N -1 1 355.376 -0.303 20 0 FBADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCCOc2ccccc2)o1 ZINC000607281077 484415694 /nfs/dbraw/zinc/41/56/94/484415694.db2.gz HGMKQFBBQFJNCL-UHFFFAOYSA-N -1 1 367.383 -0.148 20 0 FBADMM COc1cccc(CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)c1 ZINC000607281362 484417432 /nfs/dbraw/zinc/41/74/32/484417432.db2.gz WVWIXCRUPBFCMJ-UHFFFAOYSA-N -1 1 367.383 -0.018 20 0 FBADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)c1ccccn1 ZINC000607282146 484418853 /nfs/dbraw/zinc/41/88/53/484418853.db2.gz KBUVZGCTZWQAKF-SECBINFHSA-N -1 1 352.372 -0.071 20 0 FBADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)c1ccccn1 ZINC000607282147 484418557 /nfs/dbraw/zinc/41/85/57/484418557.db2.gz KBUVZGCTZWQAKF-VIFPVBQESA-N -1 1 352.372 -0.071 20 0 FBADMM CC(C)COCCCNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000607282462 484418664 /nfs/dbraw/zinc/41/86/64/484418664.db2.gz WCVLGQWNSJTXPW-UHFFFAOYSA-N -1 1 361.420 -0.164 20 0 FBADMM CC[C@@H](C)NC(=O)CCNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000607283983 484424582 /nfs/dbraw/zinc/42/45/82/484424582.db2.gz KIOJWNXCGIMENV-SECBINFHSA-N -1 1 374.419 -0.922 20 0 FBADMM CC[C@H](C)NC(=O)CCNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000607283984 484424746 /nfs/dbraw/zinc/42/47/46/484424746.db2.gz KIOJWNXCGIMENV-VIFPVBQESA-N -1 1 374.419 -0.922 20 0 FBADMM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000607284296 484421565 /nfs/dbraw/zinc/42/15/65/484421565.db2.gz AJPNUGZQLROJJS-BDAKNGLRSA-N -1 1 374.419 -0.924 20 0 FBADMM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000607284297 484421804 /nfs/dbraw/zinc/42/18/04/484421804.db2.gz AJPNUGZQLROJJS-DTWKUNHWSA-N -1 1 374.419 -0.924 20 0 FBADMM CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000607284298 484421727 /nfs/dbraw/zinc/42/17/27/484421727.db2.gz AJPNUGZQLROJJS-IUCAKERBSA-N -1 1 374.419 -0.924 20 0 FBADMM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000607284299 484420988 /nfs/dbraw/zinc/42/09/88/484420988.db2.gz AJPNUGZQLROJJS-RKDXNWHRSA-N -1 1 374.419 -0.924 20 0 FBADMM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CC(C)(C)O1 ZINC000607284371 484423380 /nfs/dbraw/zinc/42/33/80/484423380.db2.gz FRCUPQNIYJZGLE-SECBINFHSA-N -1 1 359.404 -0.317 20 0 FBADMM C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CC(C)(C)O1 ZINC000607284372 484422729 /nfs/dbraw/zinc/42/27/29/484422729.db2.gz FRCUPQNIYJZGLE-VIFPVBQESA-N -1 1 359.404 -0.317 20 0 FBADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2cccc(O)c2)o1 ZINC000607284421 484422689 /nfs/dbraw/zinc/42/26/89/484422689.db2.gz GESPMIKWUDSPIX-UHFFFAOYSA-N -1 1 367.383 -0.279 20 0 FBADMM CCO[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000607284603 484423393 /nfs/dbraw/zinc/42/33/93/484423393.db2.gz HWBVAWJCAKLZST-JTQLQIEISA-N 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/nfs/dbraw/zinc/61/30/60/483613060.db2.gz PYOARPMGDCLFME-UHFFFAOYSA-N -1 1 354.406 -0.374 20 0 FBADMM COCC(=O)N1CCC([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)CC1 ZINC000609351892 483613729 /nfs/dbraw/zinc/61/37/29/483613729.db2.gz LOXFUAGBIMRWQI-UHFFFAOYSA-N -1 1 360.388 -0.018 20 0 FBADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCNC(=O)c2cnccn2)o1 ZINC000609353214 483612696 /nfs/dbraw/zinc/61/26/96/483612696.db2.gz QRQFGEZBXQRHPA-UHFFFAOYSA-N -1 1 354.344 -0.436 20 0 FBADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCCN2CCCS2(=O)=O)o1 ZINC000609353470 483613009 /nfs/dbraw/zinc/61/30/09/483613009.db2.gz ZLIJNPPYPCPDFZ-UHFFFAOYSA-N -1 1 366.417 -0.230 20 0 FBADMM CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1nn[n-]n1 ZINC000609489093 483880906 /nfs/dbraw/zinc/88/09/06/483880906.db2.gz JRKKTWXOTPYDMA-LLVKDONJSA-N -1 1 370.460 -0.084 20 0 FBADMM CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1nn[n-]n1 ZINC000609489094 483880941 /nfs/dbraw/zinc/88/09/41/483880941.db2.gz JRKKTWXOTPYDMA-NSHDSACASA-N -1 1 370.460 -0.084 20 0 FBADMM 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483909636 /nfs/dbraw/zinc/90/96/36/483909636.db2.gz NRCQOLNTPXTOED-VIFPVBQESA-N -1 1 373.387 -0.919 20 0 FBADMM COC(=O)Cc1nc(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)n[nH]1 ZINC000609835910 484509225 /nfs/dbraw/zinc/50/92/25/484509225.db2.gz QGNSPKHCIQABCI-UHFFFAOYSA-N -1 1 359.390 -0.081 20 0 FBADMM NS(=O)(=O)c1ccc(OCCSCC(=O)Nc2nn[n-]n2)cc1 ZINC000609880894 484522807 /nfs/dbraw/zinc/52/28/07/484522807.db2.gz LKQRBHZRRHTFJZ-UHFFFAOYSA-N -1 1 358.405 -0.402 20 0 FBADMM NS(=O)(=O)c1ccc(OCCSCC(=O)Nc2nnn[n-]2)cc1 ZINC000609880894 484522802 /nfs/dbraw/zinc/52/28/02/484522802.db2.gz LKQRBHZRRHTFJZ-UHFFFAOYSA-N -1 1 358.405 -0.402 20 0 FBADMM COC(=O)c1ccc(NC(=O)C(=O)NCc2nn[n-]n2)c(OC(F)F)c1 ZINC000609952941 484531472 /nfs/dbraw/zinc/53/14/72/484531472.db2.gz GQNHGLUYKPMFHC-UHFFFAOYSA-N -1 1 370.272 -0.157 20 0 FBADMM COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)NCc2nn[n-]n2)c1 ZINC000609952966 484530827 /nfs/dbraw/zinc/53/08/27/484530827.db2.gz NOLBCDSROLQBSU-UHFFFAOYSA-N -1 1 373.373 -0.159 20 0 FBADMM 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0 FBADMM CCCCN(C(=O)CCn1cc[n-]c(=O)c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000730097833 659986423 /nfs/dbraw/zinc/98/64/23/659986423.db2.gz LENPKNWSROTQEK-GFCCVEGCSA-N -1 1 357.432 -0.258 20 0 FBADMM CCCCN(C(=O)CCn1cc[n-]c(=O)c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000730097835 659986481 /nfs/dbraw/zinc/98/64/81/659986481.db2.gz LENPKNWSROTQEK-LBPRGKRZSA-N -1 1 357.432 -0.258 20 0 FBADMM CC(C)N1C(=S)N=NC1CCNC(=O)CCn1cc[n-]c(=O)c1=O ZINC000731447446 660146675 /nfs/dbraw/zinc/14/66/75/660146675.db2.gz VNXHEGKQADSYFU-UHFFFAOYSA-N -1 1 352.420 -0.253 20 0 FBADMM COC(=O)CNC(=O)COC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000731448116 660146461 /nfs/dbraw/zinc/14/64/61/660146461.db2.gz WWICXKASFXOAKP-UHFFFAOYSA-N -1 1 350.331 -0.573 20 0 FBADMM CNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1 ZINC000731854893 660150384 /nfs/dbraw/zinc/15/03/84/660150384.db2.gz KGVXCKZVGQGNOT-LLVKDONJSA-N -1 1 352.376 -0.679 20 0 FBADMM CNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1 ZINC000731854894 660150392 /nfs/dbraw/zinc/15/03/92/660150392.db2.gz KGVXCKZVGQGNOT-NSHDSACASA-N -1 1 352.376 -0.679 20 0 FBADMM O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731854923 660150370 /nfs/dbraw/zinc/15/03/70/660150370.db2.gz LZLCUPRNMZWEGU-SECBINFHSA-N -1 1 358.280 -0.020 20 0 FBADMM O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731854924 660150374 /nfs/dbraw/zinc/15/03/74/660150374.db2.gz LZLCUPRNMZWEGU-VIFPVBQESA-N -1 1 358.280 -0.020 20 0 FBADMM CN(C)S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1 ZINC000731854991 660150362 /nfs/dbraw/zinc/15/03/62/660150362.db2.gz OBMPVZZVXFNTPU-GFCCVEGCSA-N -1 1 366.403 -0.336 20 0 FBADMM CN(C)S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1 ZINC000731854992 660150343 /nfs/dbraw/zinc/15/03/43/660150343.db2.gz OBMPVZZVXFNTPU-LBPRGKRZSA-N -1 1 366.403 -0.336 20 0 FBADMM CC(C)N1C(=O)c2ccc(C(=O)NCc3nn[n-]n3)cc2S1(=O)=O ZINC000731873646 660150513 /nfs/dbraw/zinc/15/05/13/660150513.db2.gz XZXHBPYTRUAQEK-UHFFFAOYSA-N -1 1 350.360 -0.317 20 0 FBADMM O=C(CNS(=O)(=O)c1cccs1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731879999 660150564 /nfs/dbraw/zinc/15/05/64/660150564.db2.gz FGGZSYYCAKDVFO-MRVPVSSYSA-N -1 1 358.405 -0.860 20 0 FBADMM O=C(CNS(=O)(=O)c1cccs1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731880000 660150606 /nfs/dbraw/zinc/15/06/06/660150606.db2.gz FGGZSYYCAKDVFO-QMMMGPOBSA-N -1 1 358.405 -0.860 20 0 FBADMM CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1 ZINC000731880472 660150615 /nfs/dbraw/zinc/15/06/15/660150615.db2.gz NARMUQTVNWMIOB-GFCCVEGCSA-N -1 1 366.403 -0.288 20 0 FBADMM CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1 ZINC000731880473 660150506 /nfs/dbraw/zinc/15/05/06/660150506.db2.gz NARMUQTVNWMIOB-LBPRGKRZSA-N -1 1 366.403 -0.288 20 0 FBADMM O=C(NCc1nn[n-]n1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000731887198 660150542 /nfs/dbraw/zinc/15/05/42/660150542.db2.gz IVIZJOQRVJMUJU-UHFFFAOYSA-N -1 1 370.366 -0.710 20 0 FBADMM CON(C)S(=O)(=O)c1cc(C(=O)NCc2nn[n-]n2)ccc1Cl ZINC000731888546 660150723 /nfs/dbraw/zinc/15/07/23/660150723.db2.gz VZHXHNWEVXDMAE-UHFFFAOYSA-N -1 1 360.783 -0.035 20 0 FBADMM CS(=O)(=O)Nc1cccc(CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1 ZINC000732088396 660153775 /nfs/dbraw/zinc/15/37/75/660153775.db2.gz AFUJQQZUZVDSMI-GFCCVEGCSA-N -1 1 366.403 -0.286 20 0 FBADMM CS(=O)(=O)Nc1cccc(CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1 ZINC000732088397 660153895 /nfs/dbraw/zinc/15/38/95/660153895.db2.gz AFUJQQZUZVDSMI-LBPRGKRZSA-N -1 1 366.403 -0.286 20 0 FBADMM O=C(CCCS(=O)(=O)N1CCCC1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732088606 660153885 /nfs/dbraw/zinc/15/38/85/660153885.db2.gz DAEVEGNHGYFGAN-LLVKDONJSA-N -1 1 358.424 -0.695 20 0 FBADMM O=C(CCCS(=O)(=O)N1CCCC1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732088607 660153798 /nfs/dbraw/zinc/15/37/98/660153798.db2.gz DAEVEGNHGYFGAN-NSHDSACASA-N -1 1 358.424 -0.695 20 0 FBADMM CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1 ZINC000732088942 660153864 /nfs/dbraw/zinc/15/38/64/660153864.db2.gz IMTZFZLTXBPSON-GHMZBOCLSA-N -1 1 358.424 -0.839 20 0 FBADMM CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC000732088943 660153728 /nfs/dbraw/zinc/15/37/28/660153728.db2.gz IMTZFZLTXBPSON-MNOVXSKESA-N -1 1 358.424 -0.839 20 0 FBADMM CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC000732088945 660153817 /nfs/dbraw/zinc/15/38/17/660153817.db2.gz IMTZFZLTXBPSON-QWRGUYRKSA-N -1 1 358.424 -0.839 20 0 FBADMM CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1 ZINC000732088946 660153882 /nfs/dbraw/zinc/15/38/82/660153882.db2.gz IMTZFZLTXBPSON-WDEREUQCSA-N -1 1 358.424 -0.839 20 0 FBADMM CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1 ZINC000732089073 660153859 /nfs/dbraw/zinc/15/38/59/660153859.db2.gz AOVGLLNDQXHHOI-GFCCVEGCSA-N -1 1 366.403 -0.288 20 0 FBADMM CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1 ZINC000732089074 660153826 /nfs/dbraw/zinc/15/38/26/660153826.db2.gz AOVGLLNDQXHHOI-LBPRGKRZSA-N -1 1 366.403 -0.288 20 0 FBADMM CN(C)S(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1 ZINC000732089652 660153749 /nfs/dbraw/zinc/15/37/49/660153749.db2.gz PRUVSYBRNYGVDC-GFCCVEGCSA-N -1 1 366.403 -0.336 20 0 FBADMM CN(C)S(=O)(=O)c1cccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1 ZINC000732089653 660153832 /nfs/dbraw/zinc/15/38/32/660153832.db2.gz PRUVSYBRNYGVDC-LBPRGKRZSA-N -1 1 366.403 -0.336 20 0 FBADMM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732089738 660153807 /nfs/dbraw/zinc/15/38/07/660153807.db2.gz CUEAJQXEUTUQPJ-NEPJUHHUSA-N -1 1 372.451 -0.306 20 0 FBADMM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732089739 660153877 /nfs/dbraw/zinc/15/38/77/660153877.db2.gz CUEAJQXEUTUQPJ-NWDGAFQWSA-N -1 1 372.451 -0.306 20 0 FBADMM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732089740 660153869 /nfs/dbraw/zinc/15/38/69/660153869.db2.gz CUEAJQXEUTUQPJ-RYUDHWBXSA-N -1 1 372.451 -0.306 20 0 FBADMM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732089741 660153722 /nfs/dbraw/zinc/15/37/22/660153722.db2.gz CUEAJQXEUTUQPJ-VXGBXAGGSA-N 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ZINC000732089980 660153821 /nfs/dbraw/zinc/15/38/21/660153821.db2.gz TXMCDZBLOWVWQV-LBPRGKRZSA-N -1 1 366.403 -0.370 20 0 FBADMM O=C(CCNC(=O)OCC(F)(F)F)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732090899 660153733 /nfs/dbraw/zinc/15/37/33/660153733.db2.gz PZZIIJRLJQZGFS-SSDOTTSWSA-N -1 1 352.273 -0.222 20 0 FBADMM O=C(CCNC(=O)OCC(F)(F)F)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732090900 660153755 /nfs/dbraw/zinc/15/37/55/660153755.db2.gz PZZIIJRLJQZGFS-ZETCQYMHSA-N -1 1 352.273 -0.222 20 0 FBADMM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000732090971 660153875 /nfs/dbraw/zinc/15/38/75/660153875.db2.gz WUOXIDCHVRSMKL-LLVKDONJSA-N -1 1 370.366 -0.076 20 0 FBADMM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CCO[C@H](c2nn[nH]n2)C1 ZINC000732090972 660153901 /nfs/dbraw/zinc/15/39/01/660153901.db2.gz WUOXIDCHVRSMKL-NSHDSACASA-N -1 1 370.366 -0.076 20 0 FBADMM O=C(CCn1cnc2sccc2c1=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732091289 660153768 /nfs/dbraw/zinc/15/37/68/660153768.db2.gz YFRMDXWHANKSDN-JTQLQIEISA-N -1 1 361.387 -0.039 20 0 FBADMM O=C(CCn1cnc2sccc2c1=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732091290 660153763 /nfs/dbraw/zinc/15/37/63/660153763.db2.gz YFRMDXWHANKSDN-SNVBAGLBSA-N -1 1 361.387 -0.039 20 0 FBADMM O=C(CSCC(=O)N1CCO[C@@H](c2nn[n-]n2)C1)N1CCCCC1 ZINC000732091629 660153742 /nfs/dbraw/zinc/15/37/42/660153742.db2.gz LCNJVGQDQXWSHG-LLVKDONJSA-N -1 1 354.436 -0.155 20 0 FBADMM O=C(CSCC(=O)N1CCO[C@H](c2nn[n-]n2)C1)N1CCCCC1 ZINC000732091630 660154090 /nfs/dbraw/zinc/15/40/90/660154090.db2.gz LCNJVGQDQXWSHG-NSHDSACASA-N -1 1 354.436 -0.155 20 0 FBADMM CNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1 ZINC000732091783 660154054 /nfs/dbraw/zinc/15/40/54/660154054.db2.gz QEABFDPJEDMPGF-LLVKDONJSA-N -1 1 352.376 -0.679 20 0 FBADMM CNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1 ZINC000732091784 660154063 /nfs/dbraw/zinc/15/40/63/660154063.db2.gz QEABFDPJEDMPGF-NSHDSACASA-N -1 1 352.376 -0.679 20 0 FBADMM O=C(CCNS(=O)(=O)c1cccs1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732092324 660154075 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CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735467198 599131267 /nfs/dbraw/zinc/13/12/67/599131267.db2.gz ZEXFOYNYLCPUND-JTQLQIEISA-N -1 1 373.373 -0.502 20 0 FBADMM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735467198 599131265 /nfs/dbraw/zinc/13/12/65/599131265.db2.gz ZEXFOYNYLCPUND-JTQLQIEISA-N -1 1 373.373 -0.502 20 0 FBADMM CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735467199 599131348 /nfs/dbraw/zinc/13/13/48/599131348.db2.gz ZEXFOYNYLCPUND-SNVBAGLBSA-N -1 1 373.373 -0.502 20 0 FBADMM CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735467199 599131346 /nfs/dbraw/zinc/13/13/46/599131346.db2.gz ZEXFOYNYLCPUND-SNVBAGLBSA-N -1 1 373.373 -0.502 20 0 FBADMM CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000735467695 660377972 /nfs/dbraw/zinc/37/79/72/660377972.db2.gz UWJQXXZOTZZUEF-UHFFFAOYSA-N -1 1 354.367 -0.141 20 0 FBADMM CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000735473669 599131177 /nfs/dbraw/zinc/13/11/77/599131177.db2.gz CUZKTIVGZYBFBJ-GFCCVEGCSA-N -1 1 373.373 -0.454 20 0 FBADMM CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000735473669 599131174 /nfs/dbraw/zinc/13/11/74/599131174.db2.gz CUZKTIVGZYBFBJ-GFCCVEGCSA-N -1 1 373.373 -0.454 20 0 FBADMM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000735473671 599131430 /nfs/dbraw/zinc/13/14/30/599131430.db2.gz CUZKTIVGZYBFBJ-LBPRGKRZSA-N -1 1 373.373 -0.454 20 0 FBADMM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000735473671 599131428 /nfs/dbraw/zinc/13/14/28/599131428.db2.gz CUZKTIVGZYBFBJ-LBPRGKRZSA-N -1 1 373.373 -0.454 20 0 FBADMM CC(=O)NC1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735474138 598273320 /nfs/dbraw/zinc/27/33/20/598273320.db2.gz HTQGDAPSJYHFRK-UHFFFAOYSA-N -1 1 365.419 -0.013 20 0 FBADMM CC(=O)NC1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735474138 598273318 /nfs/dbraw/zinc/27/33/18/598273318.db2.gz HTQGDAPSJYHFRK-UHFFFAOYSA-N -1 1 365.419 -0.013 20 0 FBADMM CC(=O)NCC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735474514 598268249 /nfs/dbraw/zinc/26/82/49/598268249.db2.gz KBDJDAMIIKJTFN-UHFFFAOYSA-N -1 1 365.419 -0.202 20 0 FBADMM CC(=O)NCC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735474514 598268248 /nfs/dbraw/zinc/26/82/48/598268248.db2.gz KBDJDAMIIKJTFN-UHFFFAOYSA-N -1 1 365.419 -0.202 20 0 FBADMM CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000735474953 598268259 /nfs/dbraw/zinc/26/82/59/598268259.db2.gz MGYUODOTNJNZLA-LLVKDONJSA-N -1 1 365.419 -0.202 20 0 FBADMM CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000735474953 598268257 /nfs/dbraw/zinc/26/82/57/598268257.db2.gz MGYUODOTNJNZLA-LLVKDONJSA-N -1 1 365.419 -0.202 20 0 FBADMM CC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000735474955 598268146 /nfs/dbraw/zinc/26/81/46/598268146.db2.gz MGYUODOTNJNZLA-NSHDSACASA-N -1 1 365.419 -0.202 20 0 FBADMM CC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000735474955 598268145 /nfs/dbraw/zinc/26/81/45/598268145.db2.gz MGYUODOTNJNZLA-NSHDSACASA-N -1 1 365.419 -0.202 20 0 FBADMM CC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000735475836 598266198 /nfs/dbraw/zinc/26/61/98/598266198.db2.gz TZMLGHNVMDVXMF-JTQLQIEISA-N -1 1 351.392 -0.449 20 0 FBADMM CC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000735475836 598266197 /nfs/dbraw/zinc/26/61/97/598266197.db2.gz TZMLGHNVMDVXMF-JTQLQIEISA-N -1 1 351.392 -0.449 20 0 FBADMM CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000735475840 598266188 /nfs/dbraw/zinc/26/61/88/598266188.db2.gz TZMLGHNVMDVXMF-SNVBAGLBSA-N -1 1 351.392 -0.449 20 0 FBADMM CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000735475840 598266187 /nfs/dbraw/zinc/26/61/87/598266187.db2.gz TZMLGHNVMDVXMF-SNVBAGLBSA-N -1 1 351.392 -0.449 20 0 FBADMM CC(=O)NC1CCC(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC000735476635 598247534 /nfs/dbraw/zinc/24/75/34/598247534.db2.gz ZSHWLPUPLGZIHR-UHFFFAOYSA-N -1 1 362.394 -0.877 20 0 FBADMM CC(=O)NCc1ccc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000735483011 598817271 /nfs/dbraw/zinc/81/72/71/598817271.db2.gz ZOEAZLGVLGJIPL-UHFFFAOYSA-N -1 1 370.373 -0.356 20 0 FBADMM CS(=O)(=O)NCc1ccc(NC(=O)CCn2cc[n-]c(=O)c2=O)cc1 ZINC000735483331 660378251 /nfs/dbraw/zinc/37/82/51/660378251.db2.gz TURNRFBHJBEDCB-UHFFFAOYSA-N -1 1 366.399 -0.385 20 0 FBADMM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735536244 599020936 /nfs/dbraw/zinc/02/09/36/599020936.db2.gz CIFPRVLDZAXWEK-LLVKDONJSA-N -1 1 370.417 -0.313 20 0 FBADMM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735536244 599020935 /nfs/dbraw/zinc/02/09/35/599020935.db2.gz CIFPRVLDZAXWEK-LLVKDONJSA-N -1 1 370.417 -0.313 20 0 FBADMM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735536246 599021044 /nfs/dbraw/zinc/02/10/44/599021044.db2.gz CIFPRVLDZAXWEK-NSHDSACASA-N -1 1 370.417 -0.313 20 0 FBADMM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735536246 599021041 /nfs/dbraw/zinc/02/10/41/599021041.db2.gz CIFPRVLDZAXWEK-NSHDSACASA-N -1 1 370.417 -0.313 20 0 FBADMM C[C@H](C(=O)n1ncc(-c2nn[n-]n2)c1N)N1C(=O)NC2(CCCC2)C1=O ZINC000735571722 598357190 /nfs/dbraw/zinc/35/71/90/598357190.db2.gz IFFCNBYLIIKVEJ-SSDOTTSWSA-N -1 1 359.350 -0.461 20 0 FBADMM C[C@@H](C(=O)n1ncc(-c2nn[n-]n2)c1N)N1C(=O)NC2(CCCC2)C1=O ZINC000735571723 598356826 /nfs/dbraw/zinc/35/68/26/598356826.db2.gz IFFCNBYLIIKVEJ-ZETCQYMHSA-N -1 1 359.350 -0.461 20 0 FBADMM C[C@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735571992 598835531 /nfs/dbraw/zinc/83/55/31/598835531.db2.gz OBGFYGBSFJRRJL-BDAKNGLRSA-N -1 1 374.448 -0.296 20 0 FBADMM C[C@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735571992 598835529 /nfs/dbraw/zinc/83/55/29/598835529.db2.gz OBGFYGBSFJRRJL-BDAKNGLRSA-N -1 1 374.448 -0.296 20 0 FBADMM C[C@H]([C@H](C)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)S(C)(=O)=O ZINC000735571993 598835553 /nfs/dbraw/zinc/83/55/53/598835553.db2.gz OBGFYGBSFJRRJL-DTWKUNHWSA-N -1 1 374.448 -0.296 20 0 FBADMM C[C@H]([C@H](C)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)S(C)(=O)=O ZINC000735571993 598835551 /nfs/dbraw/zinc/83/55/51/598835551.db2.gz OBGFYGBSFJRRJL-DTWKUNHWSA-N -1 1 374.448 -0.296 20 0 FBADMM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735571994 598835580 /nfs/dbraw/zinc/83/55/80/598835580.db2.gz OBGFYGBSFJRRJL-IUCAKERBSA-N -1 1 374.448 -0.296 20 0 FBADMM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735571994 598835578 /nfs/dbraw/zinc/83/55/78/598835578.db2.gz OBGFYGBSFJRRJL-IUCAKERBSA-N -1 1 374.448 -0.296 20 0 FBADMM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735571995 598835703 /nfs/dbraw/zinc/83/57/03/598835703.db2.gz OBGFYGBSFJRRJL-RKDXNWHRSA-N -1 1 374.448 -0.296 20 0 FBADMM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735571995 598835701 /nfs/dbraw/zinc/83/57/01/598835701.db2.gz OBGFYGBSFJRRJL-RKDXNWHRSA-N -1 1 374.448 -0.296 20 0 FBADMM CC(C)(C)C(=O)NCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735588166 598271239 /nfs/dbraw/zinc/27/12/39/598271239.db2.gz BHZCWCQKUJOUNJ-UHFFFAOYSA-N -1 1 353.408 -0.298 20 0 FBADMM CC(C)(C)C(=O)NCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735588166 598271238 /nfs/dbraw/zinc/27/12/38/598271238.db2.gz BHZCWCQKUJOUNJ-UHFFFAOYSA-N -1 1 353.408 -0.298 20 0 FBADMM CC(C)(C)NC(=O)CNC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735622596 599134188 /nfs/dbraw/zinc/13/41/88/599134188.db2.gz DOZKVAYAEXXXJI-UHFFFAOYSA-N -1 1 361.362 -0.551 20 0 FBADMM CC(C)(C)NC(=O)CNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735622596 599134186 /nfs/dbraw/zinc/13/41/86/599134186.db2.gz DOZKVAYAEXXXJI-UHFFFAOYSA-N -1 1 361.362 -0.551 20 0 FBADMM CC(C)(C)NS(=O)(=O)CCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735624153 598992075 /nfs/dbraw/zinc/99/20/75/598992075.db2.gz VMAZSPFXMNDHPZ-UHFFFAOYSA-N -1 1 353.408 -0.291 20 0 FBADMM CC(C)(C)NS(=O)(=O)CCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735624153 598992074 /nfs/dbraw/zinc/99/20/74/598992074.db2.gz VMAZSPFXMNDHPZ-UHFFFAOYSA-N -1 1 353.408 -0.291 20 0 FBADMM CC(C)(C)NC(=O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735624200 598553830 /nfs/dbraw/zinc/55/38/30/598553830.db2.gz XRFWIOAAAGSYSZ-UHFFFAOYSA-N -1 1 353.408 -0.155 20 0 FBADMM CC(C)(C)NC(=O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735624200 598553828 /nfs/dbraw/zinc/55/38/28/598553828.db2.gz XRFWIOAAAGSYSZ-UHFFFAOYSA-N -1 1 353.408 -0.155 20 0 FBADMM CC(C)(C)OC(=O)NCCOCC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000735636263 598749621 /nfs/dbraw/zinc/74/96/21/598749621.db2.gz RKOFGBUVOIMMMA-UHFFFAOYSA-N -1 1 352.355 -0.173 20 0 FBADMM CC(C)(CNC(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCS(=O)CC1 ZINC000735670259 599032684 /nfs/dbraw/zinc/03/26/84/599032684.db2.gz KQSZOGIDCWEYGX-UHFFFAOYSA-N -1 1 363.447 -0.166 20 0 FBADMM CC(C)(CNC(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCS(=O)CC1 ZINC000735670259 599032682 /nfs/dbraw/zinc/03/26/82/599032682.db2.gz KQSZOGIDCWEYGX-UHFFFAOYSA-N -1 1 363.447 -0.166 20 0 FBADMM CC(C)(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCOCC1 ZINC000735671364 598260057 /nfs/dbraw/zinc/26/00/57/598260057.db2.gz VVCCBZBMTMNQMI-UHFFFAOYSA-N -1 1 367.435 -0.349 20 0 FBADMM CC(C)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCOCC1 ZINC000735671364 598260055 /nfs/dbraw/zinc/26/00/55/598260055.db2.gz VVCCBZBMTMNQMI-UHFFFAOYSA-N -1 1 367.435 -0.349 20 0 FBADMM CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735683888 598259742 /nfs/dbraw/zinc/25/97/42/598259742.db2.gz HFMBBEZSJGYFHP-UHFFFAOYSA-N -1 1 365.419 -0.249 20 0 FBADMM CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735683888 598259740 /nfs/dbraw/zinc/25/97/40/598259740.db2.gz HFMBBEZSJGYFHP-UHFFFAOYSA-N -1 1 365.419 -0.249 20 0 FBADMM CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735746648 598539883 /nfs/dbraw/zinc/53/98/83/598539883.db2.gz GDKIECNDKKUHCC-LLVKDONJSA-N -1 1 351.392 -0.593 20 0 FBADMM CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735746648 598539882 /nfs/dbraw/zinc/53/98/82/598539882.db2.gz GDKIECNDKKUHCC-LLVKDONJSA-N -1 1 351.392 -0.593 20 0 FBADMM CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735746649 598539612 /nfs/dbraw/zinc/53/96/12/598539612.db2.gz GDKIECNDKKUHCC-NSHDSACASA-N -1 1 351.392 -0.593 20 0 FBADMM CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735746649 598539610 /nfs/dbraw/zinc/53/96/10/598539610.db2.gz GDKIECNDKKUHCC-NSHDSACASA-N -1 1 351.392 -0.593 20 0 FBADMM CC(C)CC[C@](C)(O)CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000735797243 598974578 /nfs/dbraw/zinc/97/45/78/598974578.db2.gz NCCOWAUQSVXYNW-HNNXBMFYSA-N -1 1 351.411 -0.137 20 0 FBADMM CC(C)CC[C@@](C)(O)CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000735797246 598974607 /nfs/dbraw/zinc/97/46/07/598974607.db2.gz NCCOWAUQSVXYNW-OAHLLOKOSA-N -1 1 351.411 -0.137 20 0 FBADMM CC(C)N1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1=O ZINC000735875581 599593131 /nfs/dbraw/zinc/59/31/31/599593131.db2.gz PDEUTUMBBPQUTO-SECBINFHSA-N -1 1 351.392 -0.451 20 0 FBADMM CC(C)N1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1=O ZINC000735875581 599593129 /nfs/dbraw/zinc/59/31/29/599593129.db2.gz PDEUTUMBBPQUTO-SECBINFHSA-N -1 1 351.392 -0.451 20 0 FBADMM CC(C)N1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1=O ZINC000735875583 599593470 /nfs/dbraw/zinc/59/34/70/599593470.db2.gz PDEUTUMBBPQUTO-VIFPVBQESA-N -1 1 351.392 -0.451 20 0 FBADMM CC(C)N1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1=O ZINC000735875583 599593468 /nfs/dbraw/zinc/59/34/68/599593468.db2.gz PDEUTUMBBPQUTO-VIFPVBQESA-N -1 1 351.392 -0.451 20 0 FBADMM CC(C)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1=O ZINC000735880735 598958888 /nfs/dbraw/zinc/95/88/88/598958888.db2.gz BISSJEWFELGDKA-LLVKDONJSA-N -1 1 351.392 -0.451 20 0 FBADMM CC(C)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1=O ZINC000735880735 598958883 /nfs/dbraw/zinc/95/88/83/598958883.db2.gz BISSJEWFELGDKA-LLVKDONJSA-N -1 1 351.392 -0.451 20 0 FBADMM CC(C)N1CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1=O ZINC000735880736 598959078 /nfs/dbraw/zinc/95/90/78/598959078.db2.gz BISSJEWFELGDKA-NSHDSACASA-N -1 1 351.392 -0.451 20 0 FBADMM CC(C)N1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1=O ZINC000735880736 598959077 /nfs/dbraw/zinc/95/90/77/598959077.db2.gz BISSJEWFELGDKA-NSHDSACASA-N -1 1 351.392 -0.451 20 0 FBADMM CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735883158 599019308 /nfs/dbraw/zinc/01/93/08/599019308.db2.gz WWLRJQWDOABDFU-UHFFFAOYSA-N -1 1 372.389 -0.929 20 0 FBADMM CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735883158 599019307 /nfs/dbraw/zinc/01/93/07/599019307.db2.gz WWLRJQWDOABDFU-UHFFFAOYSA-N -1 1 372.389 -0.929 20 0 FBADMM CC(C)NC(=O)CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735884072 598982906 /nfs/dbraw/zinc/98/29/06/598982906.db2.gz HONWUQPYOWWGLM-UHFFFAOYSA-N -1 1 358.406 -0.456 20 0 FBADMM CC(C)NC(=O)CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735884072 598982904 /nfs/dbraw/zinc/98/29/04/598982904.db2.gz HONWUQPYOWWGLM-UHFFFAOYSA-N -1 1 358.406 -0.456 20 0 FBADMM CC(C)NC(=O)CNC(=S)NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000735889197 598439351 /nfs/dbraw/zinc/43/93/51/598439351.db2.gz WKJRTLLAKLHSIA-UHFFFAOYSA-N -1 1 366.455 -0.907 20 0 FBADMM CC(C)NC(=O)CNC(=S)NCCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000735889197 598439350 /nfs/dbraw/zinc/43/93/50/598439350.db2.gz WKJRTLLAKLHSIA-UHFFFAOYSA-N -1 1 366.455 -0.907 20 0 FBADMM CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NCc1nn[n-]n1 ZINC000735903553 599512938 /nfs/dbraw/zinc/51/29/38/599512938.db2.gz IGDLSYMBBXOYNW-UHFFFAOYSA-N -1 1 372.349 -0.578 20 0 FBADMM CC(C)c1nnc(Sc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)n1C ZINC000735953576 598298318 /nfs/dbraw/zinc/29/83/18/598298318.db2.gz WQMCDUBJTUFPCD-UHFFFAOYSA-N -1 1 363.407 -0.333 20 0 FBADMM C[C@H](CN1CCCC1=O)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736003445 598266878 /nfs/dbraw/zinc/26/68/78/598266878.db2.gz ZCZPQXVEWFAMOT-SECBINFHSA-N -1 1 351.392 -0.449 20 0 FBADMM C[C@H](CN1CCCC1=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736003445 598266876 /nfs/dbraw/zinc/26/68/76/598266876.db2.gz ZCZPQXVEWFAMOT-SECBINFHSA-N -1 1 351.392 -0.449 20 0 FBADMM C[C@@H](CN1CCCC1=O)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736003446 598267016 /nfs/dbraw/zinc/26/70/16/598267016.db2.gz ZCZPQXVEWFAMOT-VIFPVBQESA-N -1 1 351.392 -0.449 20 0 FBADMM C[C@@H](CN1CCCC1=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736003446 598267015 /nfs/dbraw/zinc/26/70/15/598267015.db2.gz ZCZPQXVEWFAMOT-VIFPVBQESA-N -1 1 351.392 -0.449 20 0 FBADMM C[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736010643 598264964 /nfs/dbraw/zinc/26/49/64/598264964.db2.gz UGJFOKIRJBTWRV-JTQLQIEISA-N -1 1 353.408 -0.739 20 0 FBADMM C[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736010643 598264962 /nfs/dbraw/zinc/26/49/62/598264962.db2.gz UGJFOKIRJBTWRV-JTQLQIEISA-N -1 1 353.408 -0.739 20 0 FBADMM C[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736010648 598265023 /nfs/dbraw/zinc/26/50/23/598265023.db2.gz UGJFOKIRJBTWRV-SNVBAGLBSA-N -1 1 353.408 -0.739 20 0 FBADMM C[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736010648 598265021 /nfs/dbraw/zinc/26/50/21/598265021.db2.gz UGJFOKIRJBTWRV-SNVBAGLBSA-N -1 1 353.408 -0.739 20 0 FBADMM C[C@@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)CC1(C)OCCO1 ZINC000736026508 598932821 /nfs/dbraw/zinc/93/28/21/598932821.db2.gz OYXLJDBYBXEDRZ-SECBINFHSA-N -1 1 365.394 -0.535 20 0 FBADMM C[C@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)CC1(C)OCCO1 ZINC000736026509 598932751 /nfs/dbraw/zinc/93/27/51/598932751.db2.gz OYXLJDBYBXEDRZ-VIFPVBQESA-N -1 1 365.394 -0.535 20 0 FBADMM C[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)CN1CCOCC1 ZINC000736026528 599596714 /nfs/dbraw/zinc/59/67/14/599596714.db2.gz PJXPEOOXQIFVMD-LLVKDONJSA-N -1 1 367.435 -0.492 20 0 FBADMM C[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)CN1CCOCC1 ZINC000736026528 599596713 /nfs/dbraw/zinc/59/67/13/599596713.db2.gz PJXPEOOXQIFVMD-LLVKDONJSA-N -1 1 367.435 -0.492 20 0 FBADMM C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)CN1CCOCC1 ZINC000736026529 599596667 /nfs/dbraw/zinc/59/66/67/599596667.db2.gz PJXPEOOXQIFVMD-NSHDSACASA-N -1 1 367.435 -0.492 20 0 FBADMM C[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)CN1CCOCC1 ZINC000736026529 599596665 /nfs/dbraw/zinc/59/66/65/599596665.db2.gz PJXPEOOXQIFVMD-NSHDSACASA-N -1 1 367.435 -0.492 20 0 FBADMM C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCOCC1 ZINC000736026747 598263730 /nfs/dbraw/zinc/26/37/30/598263730.db2.gz QQHJKKNFLTXXJQ-JTQLQIEISA-N -1 1 353.408 -0.739 20 0 FBADMM C[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCOCC1 ZINC000736026747 598263728 /nfs/dbraw/zinc/26/37/28/598263728.db2.gz QQHJKKNFLTXXJQ-JTQLQIEISA-N -1 1 353.408 -0.739 20 0 FBADMM C[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCOCC1 ZINC000736026750 598263804 /nfs/dbraw/zinc/26/38/04/598263804.db2.gz QQHJKKNFLTXXJQ-SNVBAGLBSA-N -1 1 353.408 -0.739 20 0 FBADMM C[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCOCC1 ZINC000736026750 598263802 /nfs/dbraw/zinc/26/38/02/598263802.db2.gz QQHJKKNFLTXXJQ-SNVBAGLBSA-N -1 1 353.408 -0.739 20 0 FBADMM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736039775 598756992 /nfs/dbraw/zinc/75/69/92/598756992.db2.gz LQMIOTWOPJPGDQ-MRVPVSSYSA-N -1 1 360.421 -0.685 20 0 FBADMM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736039775 598756990 /nfs/dbraw/zinc/75/69/90/598756990.db2.gz LQMIOTWOPJPGDQ-MRVPVSSYSA-N -1 1 360.421 -0.685 20 0 FBADMM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736039778 598757134 /nfs/dbraw/zinc/75/71/34/598757134.db2.gz LQMIOTWOPJPGDQ-QMMMGPOBSA-N -1 1 360.421 -0.685 20 0 FBADMM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736039778 598757132 /nfs/dbraw/zinc/75/71/32/598757132.db2.gz LQMIOTWOPJPGDQ-QMMMGPOBSA-N -1 1 360.421 -0.685 20 0 FBADMM NS(=O)(=O)c1ccc2c(c1)N(C(=O)CCn1cc[n-]c(=O)c1=O)CC2 ZINC000736100217 660385357 /nfs/dbraw/zinc/38/53/57/660385357.db2.gz CLAMFNNELRYDLC-UHFFFAOYSA-N -1 1 364.383 -0.837 20 0 FBADMM C[C@@H](NC(=O)CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC000736104101 599161140 /nfs/dbraw/zinc/16/11/40/599161140.db2.gz DCXHSVUTYDUKSJ-SECBINFHSA-N -1 1 373.352 -0.409 20 0 FBADMM C[C@H](NC(=O)CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC000736104103 599161499 /nfs/dbraw/zinc/16/14/99/599161499.db2.gz DCXHSVUTYDUKSJ-VIFPVBQESA-N -1 1 373.352 -0.409 20 0 FBADMM C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736104556 598528580 /nfs/dbraw/zinc/52/85/80/598528580.db2.gz GMKONZUZUJHUAP-JTQLQIEISA-N -1 1 355.358 -0.016 20 0 FBADMM C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736104557 598528313 /nfs/dbraw/zinc/52/83/13/598528313.db2.gz GMKONZUZUJHUAP-SNVBAGLBSA-N -1 1 355.358 -0.016 20 0 FBADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NC(C)(C)C ZINC000736129190 598268212 /nfs/dbraw/zinc/26/82/12/598268212.db2.gz CUESEACHNMOSMO-MRVPVSSYSA-N -1 1 353.408 -0.157 20 0 FBADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NC(C)(C)C ZINC000736129190 598268211 /nfs/dbraw/zinc/26/82/11/598268211.db2.gz CUESEACHNMOSMO-MRVPVSSYSA-N -1 1 353.408 -0.157 20 0 FBADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NC(C)(C)C ZINC000736129191 598268065 /nfs/dbraw/zinc/26/80/65/598268065.db2.gz CUESEACHNMOSMO-QMMMGPOBSA-N -1 1 353.408 -0.157 20 0 FBADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NC(C)(C)C ZINC000736129191 598268064 /nfs/dbraw/zinc/26/80/64/598268064.db2.gz CUESEACHNMOSMO-QMMMGPOBSA-N -1 1 353.408 -0.157 20 0 FBADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1nnc2n1CCC2 ZINC000736129991 598486459 /nfs/dbraw/zinc/48/64/59/598486459.db2.gz KRGMGCPFNRYTBT-MRVPVSSYSA-N -1 1 361.391 -0.161 20 0 FBADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1nnc2n1CCC2 ZINC000736129991 598486457 /nfs/dbraw/zinc/48/64/57/598486457.db2.gz KRGMGCPFNRYTBT-MRVPVSSYSA-N -1 1 361.391 -0.161 20 0 FBADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1nnc2n1CCC2 ZINC000736129994 598486763 /nfs/dbraw/zinc/48/67/63/598486763.db2.gz KRGMGCPFNRYTBT-QMMMGPOBSA-N -1 1 361.391 -0.161 20 0 FBADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1nnc2n1CCC2 ZINC000736129994 598486762 /nfs/dbraw/zinc/48/67/62/598486762.db2.gz KRGMGCPFNRYTBT-QMMMGPOBSA-N -1 1 361.391 -0.161 20 0 FBADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H](C)N1CCOCC1 ZINC000736130316 598253574 /nfs/dbraw/zinc/25/35/74/598253574.db2.gz LSLXGEHHCYJGAO-GHMZBOCLSA-N -1 1 367.435 -0.351 20 0 FBADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H](C)N1CCOCC1 ZINC000736130316 598253573 /nfs/dbraw/zinc/25/35/73/598253573.db2.gz LSLXGEHHCYJGAO-GHMZBOCLSA-N -1 1 367.435 -0.351 20 0 FBADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H](C)N1CCOCC1 ZINC000736130317 598253365 /nfs/dbraw/zinc/25/33/65/598253365.db2.gz LSLXGEHHCYJGAO-MNOVXSKESA-N -1 1 367.435 -0.351 20 0 FBADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H](C)N1CCOCC1 ZINC000736130317 598253364 /nfs/dbraw/zinc/25/33/64/598253364.db2.gz LSLXGEHHCYJGAO-MNOVXSKESA-N -1 1 367.435 -0.351 20 0 FBADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H](C)N1CCOCC1 ZINC000736130319 598253694 /nfs/dbraw/zinc/25/36/94/598253694.db2.gz LSLXGEHHCYJGAO-QWRGUYRKSA-N -1 1 367.435 -0.351 20 0 FBADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H](C)N1CCOCC1 ZINC000736130319 598253691 /nfs/dbraw/zinc/25/36/91/598253691.db2.gz LSLXGEHHCYJGAO-QWRGUYRKSA-N -1 1 367.435 -0.351 20 0 FBADMM C[C@H]([C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCOCC1 ZINC000736130321 598253326 /nfs/dbraw/zinc/25/33/26/598253326.db2.gz LSLXGEHHCYJGAO-WDEREUQCSA-N -1 1 367.435 -0.351 20 0 FBADMM C[C@H]([C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCOCC1 ZINC000736130321 598253324 /nfs/dbraw/zinc/25/33/24/598253324.db2.gz LSLXGEHHCYJGAO-WDEREUQCSA-N -1 1 367.435 -0.351 20 0 FBADMM C[C@@](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)(C(N)=O)c1ccccc1 ZINC000736131267 598270081 /nfs/dbraw/zinc/27/00/81/598270081.db2.gz PAVZSMIVOAQQJS-HNNXBMFYSA-N -1 1 373.398 -0.059 20 0 FBADMM C[C@@](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)(C(N)=O)c1ccccc1 ZINC000736131267 598270080 /nfs/dbraw/zinc/27/00/80/598270080.db2.gz PAVZSMIVOAQQJS-HNNXBMFYSA-N -1 1 373.398 -0.059 20 0 FBADMM C[C@](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)(C(N)=O)c1ccccc1 ZINC000736131268 598269896 /nfs/dbraw/zinc/26/98/96/598269896.db2.gz PAVZSMIVOAQQJS-OAHLLOKOSA-N -1 1 373.398 -0.059 20 0 FBADMM C[C@](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)(C(N)=O)c1ccccc1 ZINC000736131268 598269894 /nfs/dbraw/zinc/26/98/94/598269894.db2.gz PAVZSMIVOAQQJS-OAHLLOKOSA-N -1 1 373.398 -0.059 20 0 FBADMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(=O)Nc1ccccc1 ZINC000736137199 598747314 /nfs/dbraw/zinc/74/73/14/598747314.db2.gz IRPDCRZKDFBONV-SECBINFHSA-N -1 1 370.373 -0.297 20 0 FBADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(=O)Nc1ccccc1 ZINC000736137203 598747442 /nfs/dbraw/zinc/74/74/42/598747442.db2.gz IRPDCRZKDFBONV-VIFPVBQESA-N -1 1 370.373 -0.297 20 0 FBADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000736159045 599142802 /nfs/dbraw/zinc/14/28/02/599142802.db2.gz SZKJYGNWLUWNGP-SECBINFHSA-N -1 1 373.373 -0.456 20 0 FBADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000736159045 599142800 /nfs/dbraw/zinc/14/28/00/599142800.db2.gz SZKJYGNWLUWNGP-SECBINFHSA-N -1 1 373.373 -0.456 20 0 FBADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000736159046 599142151 /nfs/dbraw/zinc/14/21/51/599142151.db2.gz SZKJYGNWLUWNGP-VIFPVBQESA-N -1 1 373.373 -0.456 20 0 FBADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000736159046 599142147 /nfs/dbraw/zinc/14/21/47/599142147.db2.gz SZKJYGNWLUWNGP-VIFPVBQESA-N -1 1 373.373 -0.456 20 0 FBADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000736159621 599136099 /nfs/dbraw/zinc/13/60/99/599136099.db2.gz XXWBFCNOKKLYFR-GXSJLCMTSA-N -1 1 373.373 -0.469 20 0 FBADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000736159621 599136097 /nfs/dbraw/zinc/13/60/97/599136097.db2.gz XXWBFCNOKKLYFR-GXSJLCMTSA-N -1 1 373.373 -0.469 20 0 FBADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000736159622 599135928 /nfs/dbraw/zinc/13/59/28/599135928.db2.gz XXWBFCNOKKLYFR-KOLCDFICSA-N -1 1 373.373 -0.469 20 0 FBADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000736159622 599135926 /nfs/dbraw/zinc/13/59/26/599135926.db2.gz XXWBFCNOKKLYFR-KOLCDFICSA-N -1 1 373.373 -0.469 20 0 FBADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000736159623 599135771 /nfs/dbraw/zinc/13/57/71/599135771.db2.gz XXWBFCNOKKLYFR-MWLCHTKSSA-N -1 1 373.373 -0.469 20 0 FBADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000736159623 599135767 /nfs/dbraw/zinc/13/57/67/599135767.db2.gz XXWBFCNOKKLYFR-MWLCHTKSSA-N -1 1 373.373 -0.469 20 0 FBADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000736159624 599135762 /nfs/dbraw/zinc/13/57/62/599135762.db2.gz XXWBFCNOKKLYFR-ONGXEEELSA-N -1 1 373.373 -0.469 20 0 FBADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000736159624 599135759 /nfs/dbraw/zinc/13/57/59/599135759.db2.gz XXWBFCNOKKLYFR-ONGXEEELSA-N -1 1 373.373 -0.469 20 0 FBADMM O=C(NC1(c2nn[n-]n2)CCCC1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000736160017 660387027 /nfs/dbraw/zinc/38/70/27/660387027.db2.gz JKBXTQDQVURSMJ-UHFFFAOYSA-N -1 1 363.403 -0.417 20 0 FBADMM C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000736169111 598622887 /nfs/dbraw/zinc/62/28/87/598622887.db2.gz JUTXGJGMIIAZCN-BXKDBHETSA-N -1 1 371.361 -0.253 20 0 FBADMM C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000736169112 598622738 /nfs/dbraw/zinc/62/27/38/598622738.db2.gz JUTXGJGMIIAZCN-CABZTGNLSA-N -1 1 371.361 -0.253 20 0 FBADMM C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000736169113 598623035 /nfs/dbraw/zinc/62/30/35/598623035.db2.gz JUTXGJGMIIAZCN-JOYOIKCWSA-N -1 1 371.361 -0.253 20 0 FBADMM C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000736169114 598622837 /nfs/dbraw/zinc/62/28/37/598622837.db2.gz JUTXGJGMIIAZCN-SKDRFNHKSA-N -1 1 371.361 -0.253 20 0 FBADMM CC(=O)c1[nH]c(CC(=O)N2CCO[C@H](c3nn[nH]n3)C2)c(C(=O)[O-])c1C ZINC000736183862 600170428 /nfs/dbraw/zinc/17/04/28/600170428.db2.gz YHIXAXUCEJMYSX-JTQLQIEISA-N -1 1 362.346 -0.120 20 0 FBADMM CC(=O)c1[nH]c(CC(=O)N2CCO[C@@H](c3nn[nH]n3)C2)c(C(=O)[O-])c1C ZINC000736183867 600170239 /nfs/dbraw/zinc/17/02/39/600170239.db2.gz YHIXAXUCEJMYSX-SNVBAGLBSA-N -1 1 362.346 -0.120 20 0 FBADMM C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000736186187 598689694 /nfs/dbraw/zinc/68/96/94/598689694.db2.gz XSYVXNZEDBPJLX-BXKDBHETSA-N -1 1 371.361 -0.253 20 0 FBADMM C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000736186190 598689906 /nfs/dbraw/zinc/68/99/06/598689906.db2.gz XSYVXNZEDBPJLX-CABZTGNLSA-N -1 1 371.361 -0.253 20 0 FBADMM C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000736186193 598689914 /nfs/dbraw/zinc/68/99/14/598689914.db2.gz XSYVXNZEDBPJLX-JOYOIKCWSA-N -1 1 371.361 -0.253 20 0 FBADMM C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000736186197 598689621 /nfs/dbraw/zinc/68/96/21/598689621.db2.gz XSYVXNZEDBPJLX-SKDRFNHKSA-N -1 1 371.361 -0.253 20 0 FBADMM C[C@@H](c1ccccc1)[C@@H](CO)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736202547 598628027 /nfs/dbraw/zinc/62/80/27/598628027.db2.gz JPPCKECGYMHBEJ-CMPLNLGQSA-N -1 1 371.401 -0.159 20 0 FBADMM C[C@@H](c1ccccc1)[C@H](CO)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736202548 598628257 /nfs/dbraw/zinc/62/82/57/598628257.db2.gz JPPCKECGYMHBEJ-JQWIXIFHSA-N -1 1 371.401 -0.159 20 0 FBADMM C[C@H](c1ccccc1)[C@H](CO)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736202553 598628177 /nfs/dbraw/zinc/62/81/77/598628177.db2.gz JPPCKECGYMHBEJ-PWSUYJOCSA-N -1 1 371.401 -0.159 20 0 FBADMM C[C@H](c1ccccc1)[C@@H](CO)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736202557 598628246 /nfs/dbraw/zinc/62/82/46/598628246.db2.gz JPPCKECGYMHBEJ-ZYHUDNBSSA-N -1 1 371.401 -0.159 20 0 FBADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000736204652 600442247 /nfs/dbraw/zinc/44/22/47/600442247.db2.gz KITUQCHFWNAEGZ-NEPJUHHUSA-N -1 1 361.464 -0.301 20 0 FBADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000736204653 600442256 /nfs/dbraw/zinc/44/22/56/600442256.db2.gz KITUQCHFWNAEGZ-NWDGAFQWSA-N -1 1 361.464 -0.301 20 0 FBADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000736204654 600442092 /nfs/dbraw/zinc/44/20/92/600442092.db2.gz KITUQCHFWNAEGZ-RYUDHWBXSA-N -1 1 361.464 -0.301 20 0 FBADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000736204655 600442233 /nfs/dbraw/zinc/44/22/33/600442233.db2.gz KITUQCHFWNAEGZ-VXGBXAGGSA-N -1 1 361.464 -0.301 20 0 FBADMM C[C@H](C(=O)NC1CCCC1)N1CCN(CCC(=O)NCC(=O)[O-])CC1 ZINC000736205969 600298553 /nfs/dbraw/zinc/29/85/53/600298553.db2.gz BTFCCALWIINOQT-CYBMUJFWSA-N -1 1 354.451 -0.358 20 0 FBADMM C[C@@H](C(=O)NC1CCCC1)N1CCN(CCC(=O)NCC(=O)[O-])CC1 ZINC000736205971 600298382 /nfs/dbraw/zinc/29/83/82/600298382.db2.gz BTFCCALWIINOQT-ZDUSSCGKSA-N -1 1 354.451 -0.358 20 0 FBADMM CC1(C)C(=O)NCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736207540 599273240 /nfs/dbraw/zinc/27/32/40/599273240.db2.gz SHKRORRVYARORH-UHFFFAOYSA-N -1 1 354.367 -0.095 20 0 FBADMM C[C@@H](C(=O)NC1CCCC1)N1CCN(CCC(=O)N(C)CC(=O)[O-])CC1 ZINC000736208787 600298708 /nfs/dbraw/zinc/29/87/08/600298708.db2.gz NVZVNMNOGVDBAD-AWEZNQCLSA-N -1 1 368.478 -0.016 20 0 FBADMM C[C@H](C(=O)NC1CCCC1)N1CCN(CCC(=O)N(C)CC(=O)[O-])CC1 ZINC000736208790 600298329 /nfs/dbraw/zinc/29/83/29/600298329.db2.gz NVZVNMNOGVDBAD-CQSZACIVSA-N -1 1 368.478 -0.016 20 0 FBADMM C[C@H](C(=O)NCC(=O)[O-])N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000736208899 600431374 /nfs/dbraw/zinc/43/13/74/600431374.db2.gz OZILDVBKRHRQCR-LLVKDONJSA-N -1 1 351.407 -0.549 20 0 FBADMM C[C@@H](C(=O)NCC(=O)[O-])N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000736208901 600431295 /nfs/dbraw/zinc/43/12/95/600431295.db2.gz OZILDVBKRHRQCR-NSHDSACASA-N -1 1 351.407 -0.549 20 0 FBADMM C[C@H](C(=O)NCC(=O)[O-])N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000736208938 600317237 /nfs/dbraw/zinc/31/72/37/600317237.db2.gz POFQXEHIRZMOKS-CYBMUJFWSA-N -1 1 354.451 -0.548 20 0 FBADMM C[C@@H](C(=O)NCC(=O)[O-])N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000736208940 600317307 /nfs/dbraw/zinc/31/73/07/600317307.db2.gz POFQXEHIRZMOKS-ZDUSSCGKSA-N -1 1 354.451 -0.548 20 0 FBADMM CC1(C)COCCN1CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736215016 598581602 /nfs/dbraw/zinc/58/16/02/598581602.db2.gz SIJJIRDSGQIOJZ-UHFFFAOYSA-N -1 1 367.435 -0.349 20 0 FBADMM CC1(C)COCCN1CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736215016 598581600 /nfs/dbraw/zinc/58/16/00/598581600.db2.gz SIJJIRDSGQIOJZ-UHFFFAOYSA-N -1 1 367.435 -0.349 20 0 FBADMM C[C@@H]1[C@H](C)[S@](=O)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736223977 599479387 /nfs/dbraw/zinc/47/93/87/599479387.db2.gz KURAPXDAXRYXBX-QURMUULBSA-N -1 1 356.433 -0.208 20 0 FBADMM C[C@@H]1[C@H](C)[S@](=O)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736223977 599479386 /nfs/dbraw/zinc/47/93/86/599479386.db2.gz KURAPXDAXRYXBX-QURMUULBSA-N -1 1 356.433 -0.208 20 0 FBADMM C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736223979 599479829 /nfs/dbraw/zinc/47/98/29/599479829.db2.gz KURAPXDAXRYXBX-PGJXFVMDSA-N -1 1 356.433 -0.208 20 0 FBADMM C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736223979 599479826 /nfs/dbraw/zinc/47/98/26/599479826.db2.gz KURAPXDAXRYXBX-PGJXFVMDSA-N -1 1 356.433 -0.208 20 0 FBADMM C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736223982 599479559 /nfs/dbraw/zinc/47/95/59/599479559.db2.gz KURAPXDAXRYXBX-PIWWNVKXSA-N -1 1 356.433 -0.208 20 0 FBADMM C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736223982 599479558 /nfs/dbraw/zinc/47/95/58/599479558.db2.gz KURAPXDAXRYXBX-PIWWNVKXSA-N -1 1 356.433 -0.208 20 0 FBADMM C[C@@H]1[C@H](C)[S@@](=O)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736223984 599480413 /nfs/dbraw/zinc/48/04/13/599480413.db2.gz KURAPXDAXRYXBX-PCVAMMEBSA-N -1 1 356.433 -0.208 20 0 FBADMM C[C@@H]1[C@H](C)[S@@](=O)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736223984 599480411 /nfs/dbraw/zinc/48/04/11/599480411.db2.gz KURAPXDAXRYXBX-PCVAMMEBSA-N -1 1 356.433 -0.208 20 0 FBADMM C[C@@]1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCS(=O)(=O)C1 ZINC000736224226 598260433 /nfs/dbraw/zinc/26/04/33/598260433.db2.gz QYQDMKXRCIONSK-LLVKDONJSA-N -1 1 358.405 -0.883 20 0 FBADMM C[C@@]1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCS(=O)(=O)C1 ZINC000736224226 598260431 /nfs/dbraw/zinc/26/04/31/598260431.db2.gz QYQDMKXRCIONSK-LLVKDONJSA-N -1 1 358.405 -0.883 20 0 FBADMM C[C@]1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCS(=O)(=O)C1 ZINC000736224232 598260656 /nfs/dbraw/zinc/26/06/56/598260656.db2.gz QYQDMKXRCIONSK-NSHDSACASA-N -1 1 358.405 -0.883 20 0 FBADMM C[C@]1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCS(=O)(=O)C1 ZINC000736224232 598260655 /nfs/dbraw/zinc/26/06/55/598260655.db2.gz QYQDMKXRCIONSK-NSHDSACASA-N -1 1 358.405 -0.883 20 0 FBADMM 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/nfs/dbraw/zinc/35/14/34/598351434.db2.gz VPMADNHIAKNKDZ-UHFFFAOYSA-N -1 1 374.405 -0.105 20 0 FBADMM CCOC(=O)CN1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736596612 599028087 /nfs/dbraw/zinc/02/80/87/599028087.db2.gz RWKKVODEJBHLNU-UHFFFAOYSA-N -1 1 359.390 -0.027 20 0 FBADMM CCOC(=O)CN1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736596612 599028085 /nfs/dbraw/zinc/02/80/85/599028085.db2.gz RWKKVODEJBHLNU-UHFFFAOYSA-N -1 1 359.390 -0.027 20 0 FBADMM CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736600191 598259535 /nfs/dbraw/zinc/25/95/35/598259535.db2.gz KUBZJNHBZWGDJR-UHFFFAOYSA-N -1 1 367.391 -0.276 20 0 FBADMM CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736600191 598259532 /nfs/dbraw/zinc/25/95/32/598259532.db2.gz KUBZJNHBZWGDJR-UHFFFAOYSA-N -1 1 367.391 -0.276 20 0 FBADMM CCOC[C@H](O)CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736608788 599029312 /nfs/dbraw/zinc/02/93/12/599029312.db2.gz MGFAOMPOGVYIGL-CYBMUJFWSA-N -1 1 361.406 -0.583 20 0 FBADMM CCOC[C@@H](O)CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736608790 599029541 /nfs/dbraw/zinc/02/95/41/599029541.db2.gz MGFAOMPOGVYIGL-ZDUSSCGKSA-N -1 1 361.406 -0.583 20 0 FBADMM CCO[C@H](C)c1noc(Cn2c(=O)c(-c3nn[n-]n3)cn(CC)c2=O)n1 ZINC000736615258 599463324 /nfs/dbraw/zinc/46/33/24/599463324.db2.gz KKULGYDKUKBTCT-MRVPVSSYSA-N -1 1 362.350 -0.261 20 0 FBADMM CCO[C@@H](C)c1noc(Cn2c(=O)c(-c3nn[n-]n3)cn(CC)c2=O)n1 ZINC000736615259 599462764 /nfs/dbraw/zinc/46/27/64/599462764.db2.gz KKULGYDKUKBTCT-QMMMGPOBSA-N -1 1 362.350 -0.261 20 0 FBADMM CCO[C@@H]1C[C@@H](N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1(C)C ZINC000736615949 598974187 /nfs/dbraw/zinc/97/41/87/598974187.db2.gz ZPOWDXCCPWAGPG-NXEZZACHSA-N -1 1 363.422 -0.096 20 0 FBADMM CCO[C@H]1C[C@H](N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1(C)C ZINC000736615950 598974318 /nfs/dbraw/zinc/97/43/18/598974318.db2.gz ZPOWDXCCPWAGPG-UWVGGRQHSA-N -1 1 363.422 -0.096 20 0 FBADMM CCO[C@@H]1C[C@H](N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1(C)C ZINC000736615951 598974011 /nfs/dbraw/zinc/97/40/11/598974011.db2.gz ZPOWDXCCPWAGPG-VHSXEESVSA-N -1 1 363.422 -0.096 20 0 FBADMM CCO[C@H]1C[C@@H](N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1(C)C ZINC000736615952 598973836 /nfs/dbraw/zinc/97/38/36/598973836.db2.gz ZPOWDXCCPWAGPG-ZJUUUORDSA-N -1 1 363.422 -0.096 20 0 FBADMM CCOCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736624033 598711071 /nfs/dbraw/zinc/71/10/71/598711071.db2.gz QBNJZHBBVWIFLZ-UHFFFAOYSA-N -1 1 367.435 -0.396 20 0 FBADMM CCOCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736624033 598711069 /nfs/dbraw/zinc/71/10/69/598711069.db2.gz QBNJZHBBVWIFLZ-UHFFFAOYSA-N -1 1 367.435 -0.396 20 0 FBADMM CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NCc1nn[n-]n1 ZINC000736634493 599514127 /nfs/dbraw/zinc/51/41/27/599514127.db2.gz HXPYXYREZIHDJB-UHFFFAOYSA-N -1 1 358.322 -0.967 20 0 FBADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000736652239 599884030 /nfs/dbraw/zinc/88/40/30/599884030.db2.gz BOQXDSVOUOHHOS-BDAKNGLRSA-N -1 1 362.342 -0.186 20 0 FBADMM C[C@@H](OC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc21)C(=O)NCC(=O)[O-] ZINC000736652242 599884344 /nfs/dbraw/zinc/88/43/44/599884344.db2.gz BOQXDSVOUOHHOS-DTWKUNHWSA-N -1 1 362.342 -0.186 20 0 FBADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000736652245 599884049 /nfs/dbraw/zinc/88/40/49/599884049.db2.gz BOQXDSVOUOHHOS-IUCAKERBSA-N -1 1 362.342 -0.186 20 0 FBADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000736652248 599884052 /nfs/dbraw/zinc/88/40/52/599884052.db2.gz BOQXDSVOUOHHOS-RKDXNWHRSA-N -1 1 362.342 -0.186 20 0 FBADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)OCC(=O)NCCC(=O)[O-] ZINC000736652650 599884294 /nfs/dbraw/zinc/88/42/94/599884294.db2.gz JMTNGDHXDGCGDJ-SECBINFHSA-N -1 1 362.342 -0.185 20 0 FBADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)OCC(=O)NCCC(=O)[O-] ZINC000736652653 599884035 /nfs/dbraw/zinc/88/40/35/599884035.db2.gz JMTNGDHXDGCGDJ-VIFPVBQESA-N -1 1 362.342 -0.185 20 0 FBADMM CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736657937 598836334 /nfs/dbraw/zinc/83/63/34/598836334.db2.gz ZTQQROWXJHVNHA-SECBINFHSA-N -1 1 374.448 -0.295 20 0 FBADMM CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736657937 598836333 /nfs/dbraw/zinc/83/63/33/598836333.db2.gz ZTQQROWXJHVNHA-SECBINFHSA-N -1 1 374.448 -0.295 20 0 FBADMM CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736657938 598836027 /nfs/dbraw/zinc/83/60/27/598836027.db2.gz ZTQQROWXJHVNHA-VIFPVBQESA-N -1 1 374.448 -0.295 20 0 FBADMM CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736657938 598836025 /nfs/dbraw/zinc/83/60/25/598836025.db2.gz ZTQQROWXJHVNHA-VIFPVBQESA-N -1 1 374.448 -0.295 20 0 FBADMM CCS(=O)(=O)N(C)CCCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736658603 599022660 /nfs/dbraw/zinc/02/26/60/599022660.db2.gz GFFBXWWOTQSHBU-UHFFFAOYSA-N -1 1 353.408 -0.337 20 0 FBADMM CCS(=O)(=O)N(C)CCCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736658603 599022658 /nfs/dbraw/zinc/02/26/58/599022658.db2.gz GFFBXWWOTQSHBU-UHFFFAOYSA-N -1 1 353.408 -0.337 20 0 FBADMM CCS(=O)(=O)N1CCC[C@@H](C(=O)N=c2cc[nH]cc2-c2nn[n-]n2)C1 ZINC000736658610 599249716 /nfs/dbraw/zinc/24/97/16/599249716.db2.gz GGACFCQUGQHZGQ-SNVBAGLBSA-N -1 1 365.419 -0.316 20 0 FBADMM CCS(=O)(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000736659145 598556397 /nfs/dbraw/zinc/55/63/97/598556397.db2.gz OXRBNGJMEXMLMX-UHFFFAOYSA-N -1 1 352.424 -0.093 20 0 FBADMM CCS(=O)(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000736659145 598556395 /nfs/dbraw/zinc/55/63/95/598556395.db2.gz OXRBNGJMEXMLMX-UHFFFAOYSA-N -1 1 352.424 -0.093 20 0 FBADMM CCS(=O)(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736659891 599020761 /nfs/dbraw/zinc/02/07/61/599020761.db2.gz YKFBCXTZCUFCGA-UHFFFAOYSA-N -1 1 365.419 -0.194 20 0 FBADMM CCS(=O)(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736659891 599020759 /nfs/dbraw/zinc/02/07/59/599020759.db2.gz YKFBCXTZCUFCGA-UHFFFAOYSA-N -1 1 365.419 -0.194 20 0 FBADMM C[C@@H](OC(=O)CCNC(=O)c1n[nH]c2ccccc21)C(=O)NCC(=O)[O-] ZINC000736686908 599817295 /nfs/dbraw/zinc/81/72/95/599817295.db2.gz JPKRQOXYVPPCIM-SECBINFHSA-N -1 1 362.342 -0.185 20 0 FBADMM C[C@H](OC(=O)CCNC(=O)c1n[nH]c2ccccc21)C(=O)NCC(=O)[O-] ZINC000736686910 599817350 /nfs/dbraw/zinc/81/73/50/599817350.db2.gz JPKRQOXYVPPCIM-VIFPVBQESA-N -1 1 362.342 -0.185 20 0 FBADMM CCc1nc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)no1 ZINC000736700441 598311508 /nfs/dbraw/zinc/31/15/08/598311508.db2.gz RXFZOJGJRDHBOV-UHFFFAOYSA-N -1 1 350.364 -0.272 20 0 FBADMM CCc1nc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)no1 ZINC000736700441 598311506 /nfs/dbraw/zinc/31/15/06/598311506.db2.gz RXFZOJGJRDHBOV-UHFFFAOYSA-N -1 1 350.364 -0.272 20 0 FBADMM CCc1nc(CCNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cs1 ZINC000736700525 598352982 /nfs/dbraw/zinc/35/29/82/598352982.db2.gz UWWUBSWWGJQREH-UHFFFAOYSA-N -1 1 362.419 -0.062 20 0 FBADMM CCc1nn(CC(=O)NC[C@@H]2CCCO2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736704939 598640257 /nfs/dbraw/zinc/64/02/57/598640257.db2.gz APNHDPMXRQRYHV-JTQLQIEISA-N -1 1 361.406 -0.157 20 0 FBADMM CCc1nn(CC(=O)NC[C@H]2CCCO2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736704940 598640370 /nfs/dbraw/zinc/64/03/70/598640370.db2.gz APNHDPMXRQRYHV-SNVBAGLBSA-N -1 1 361.406 -0.157 20 0 FBADMM CCc1nn(CC(=O)NCCC(=O)OC)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736704954 598643325 /nfs/dbraw/zinc/64/33/25/598643325.db2.gz BCOQBAFXBZTOQA-UHFFFAOYSA-N -1 1 363.378 -0.773 20 0 FBADMM CCc1nn(CCCN2C(=O)CNC2=O)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736704986 598641565 /nfs/dbraw/zinc/64/15/65/598641565.db2.gz BKZFOGADLWBKMW-UHFFFAOYSA-N -1 1 360.378 -0.510 20 0 FBADMM CCc1nn(CCCS(=O)(=O)NC)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705469 598640140 /nfs/dbraw/zinc/64/01/40/598640140.db2.gz ITHVALIQWCJZSA-UHFFFAOYSA-N -1 1 355.424 -0.513 20 0 FBADMM CCc1nn(CC(=O)Nc2nc(C)no2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705665 598641781 /nfs/dbraw/zinc/64/17/81/598641781.db2.gz NKWZFGKIISJZIL-UHFFFAOYSA-N -1 1 359.350 -0.122 20 0 FBADMM CCc1nn(CC(=O)NC(=O)NC2CC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705692 598643366 /nfs/dbraw/zinc/64/33/66/598643366.db2.gz NSTIJJMUWMAFIB-UHFFFAOYSA-N -1 1 360.378 -0.464 20 0 FBADMM CCc1nn(C[C@H](O)CN2CCOCC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705855 598374257 /nfs/dbraw/zinc/37/42/57/598374257.db2.gz QDZZSHBNOJMAAV-LLVKDONJSA-N -1 1 363.422 -0.759 20 0 FBADMM CCc1nn(C[C@@H](O)CN2CCOCC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705860 598374118 /nfs/dbraw/zinc/37/41/18/598374118.db2.gz QDZZSHBNOJMAAV-NSHDSACASA-N -1 1 363.422 -0.759 20 0 FBADMM CCc1nn(CCN2C(=O)NC(C)(C)C2=O)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706080 598377898 /nfs/dbraw/zinc/37/78/98/598377898.db2.gz SUZXGEGXEOVIHC-UHFFFAOYSA-N -1 1 374.405 -0.121 20 0 FBADMM CCc1nn(CCNS(=O)(=O)CC)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706134 598640029 /nfs/dbraw/zinc/64/00/29/598640029.db2.gz HMRMGGDUIAZREJ-UHFFFAOYSA-N -1 1 355.424 -0.513 20 0 FBADMM CCc1nn(CCCS(=O)(=O)N(C)C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706480 598642385 /nfs/dbraw/zinc/64/23/85/598642385.db2.gz WXIISFPBWFHMQT-UHFFFAOYSA-N -1 1 369.451 -0.170 20 0 FBADMM CCc1nn(CC(=O)N2CCO[C@@H](C)C2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706901 598379794 /nfs/dbraw/zinc/37/97/94/598379794.db2.gz ZYLIMXUEUXEDGK-JTQLQIEISA-N -1 1 361.406 -0.205 20 0 FBADMM CCc1nn(CC(=O)N2CCO[C@H](C)C2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706902 598379737 /nfs/dbraw/zinc/37/97/37/598379737.db2.gz ZYLIMXUEUXEDGK-SNVBAGLBSA-N -1 1 361.406 -0.205 20 0 FBADMM CCc1nn(Cc2nc(N)nc(N(C)C)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736708643 598642419 /nfs/dbraw/zinc/64/24/19/598642419.db2.gz YOJNLULSEOFDJF-UHFFFAOYSA-N -1 1 371.409 -0.570 20 0 FBADMM CCc1nnc2n1CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC000736710538 598712309 /nfs/dbraw/zinc/71/23/09/598712309.db2.gz IHORFOJWQWJPGY-UHFFFAOYSA-N -1 1 361.391 -0.380 20 0 FBADMM CCc1nnc2n1CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC000736710538 598712307 /nfs/dbraw/zinc/71/23/07/598712307.db2.gz IHORFOJWQWJPGY-UHFFFAOYSA-N -1 1 361.391 -0.380 20 0 FBADMM CCn1cc(-c2nn[n-]n2)c(=O)n(C[C@@H](O)COCc2ccccc2)c1=O ZINC000736713155 598918668 /nfs/dbraw/zinc/91/86/68/598918668.db2.gz GLBUKYSETCYCFV-CYBMUJFWSA-N -1 1 372.385 -0.212 20 0 FBADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)c2cc(C(=O)OC)co2)c1=O ZINC000736713233 598789190 /nfs/dbraw/zinc/78/91/90/598789190.db2.gz JIIXTHNNSTWDKM-UHFFFAOYSA-N -1 1 374.313 -0.528 20 0 FBADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)OCc2ccccc2)c1=O ZINC000736713684 598492670 /nfs/dbraw/zinc/49/26/70/598492670.db2.gz LCQWFSVQVDYMRM-UHFFFAOYSA-N -1 1 356.342 -0.047 20 0 FBADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(C(=O)NC)cc2)c1=O ZINC000736714477 598546199 /nfs/dbraw/zinc/54/61/99/598546199.db2.gz RRIRIGHWMWUDSC-UHFFFAOYSA-N -1 1 355.358 -0.382 20 0 FBADMM CCn1cc(-c2nn[n-]n2)c(=O)n([C@@H]2CCN(CC(F)(F)F)C2=O)c1=O ZINC000736714675 599288289 /nfs/dbraw/zinc/28/82/89/599288289.db2.gz UCPCWPNFVIZDTJ-MRVPVSSYSA-N -1 1 373.295 -0.454 20 0 FBADMM CCn1cc(-c2nn[n-]n2)c(=O)n([C@H]2CCN(CC(F)(F)F)C2=O)c1=O ZINC000736714678 599288168 /nfs/dbraw/zinc/28/81/68/599288168.db2.gz UCPCWPNFVIZDTJ-QMMMGPOBSA-N -1 1 373.295 -0.454 20 0 FBADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)NCc2cccc(C)c2)c1=O ZINC000736714732 598640005 /nfs/dbraw/zinc/64/00/05/598640005.db2.gz UVIJLGBFHMHMNV-UHFFFAOYSA-N -1 1 369.385 -0.165 20 0 FBADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCNC(=O)OC(C)(C)C)c1=O ZINC000736714955 598892282 /nfs/dbraw/zinc/89/22/82/598892282.db2.gz XSHSRHUDNKQBGB-UHFFFAOYSA-N -1 1 351.367 -0.265 20 0 FBADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2c(C)nn(C)c2Cl)c1=O ZINC000736715003 598585269 /nfs/dbraw/zinc/58/52/69/598585269.db2.gz ZPMCDHNHIGUQNN-UHFFFAOYSA-N -1 1 350.770 -0.046 20 0 FBADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2cn(-c3ccccc3)nn2)c1=O ZINC000736718981 598363570 /nfs/dbraw/zinc/36/35/70/598363570.db2.gz MTFFPUCMENMXRB-UHFFFAOYSA-N -1 1 365.357 -0.161 20 0 FBADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2cccc(C(=O)NC)c2)c1=O ZINC000736718996 598860990 /nfs/dbraw/zinc/86/09/90/598860990.db2.gz NIXRTDCTHYEGSX-UHFFFAOYSA-N -1 1 355.358 -0.382 20 0 FBADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2nc(CC(F)(F)F)no2)c1=O ZINC000736719986 599161417 /nfs/dbraw/zinc/16/14/17/599161417.db2.gz VDZCJUPXEUMKPR-UHFFFAOYSA-N -1 1 372.267 -0.254 20 0 FBADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2nc(-c3ccoc3)no2)c1=O ZINC000736720027 598296360 /nfs/dbraw/zinc/29/63/60/598296360.db2.gz WWWUVNRQBYUVPY-UHFFFAOYSA-N -1 1 356.302 -0.099 20 0 FBADMM CCn1nc(C)c(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1C ZINC000736727154 598457573 /nfs/dbraw/zinc/45/75/73/598457573.db2.gz BWZISBJBJXOSHE-UHFFFAOYSA-N -1 1 359.394 -0.291 20 0 FBADMM CN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736746244 598300892 /nfs/dbraw/zinc/30/08/92/598300892.db2.gz LVOGXDKBHZOSEK-JTQLQIEISA-N -1 1 369.432 -0.587 20 0 FBADMM CN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736746244 598300891 /nfs/dbraw/zinc/30/08/91/598300891.db2.gz LVOGXDKBHZOSEK-JTQLQIEISA-N -1 1 369.432 -0.587 20 0 FBADMM CN(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736746247 598300739 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/nfs/dbraw/zinc/00/62/11/599006211.db2.gz UXDZSLKNWHPLAK-UHFFFAOYSA-N -1 1 356.795 -0.017 20 0 FBADMM CN1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1=O ZINC000736868594 599006210 /nfs/dbraw/zinc/00/62/10/599006210.db2.gz UXDZSLKNWHPLAK-UHFFFAOYSA-N -1 1 356.795 -0.017 20 0 FBADMM CNC(=O)C1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736869744 598270451 /nfs/dbraw/zinc/27/04/51/598270451.db2.gz FHHZWXHQKUUYBD-UHFFFAOYSA-N -1 1 365.419 -0.155 20 0 FBADMM CNC(=O)C1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736869744 598270450 /nfs/dbraw/zinc/27/04/50/598270450.db2.gz FHHZWXHQKUUYBD-UHFFFAOYSA-N -1 1 365.419 -0.155 20 0 FBADMM CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736871129 598691888 /nfs/dbraw/zinc/69/18/88/598691888.db2.gz QAPUBBHYWVYFMZ-LLVKDONJSA-N -1 1 354.367 -0.095 20 0 FBADMM CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736871130 598691803 /nfs/dbraw/zinc/69/18/03/598691803.db2.gz QAPUBBHYWVYFMZ-NSHDSACASA-N -1 1 354.367 -0.095 20 0 FBADMM CNC(=O)C1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC000736871631 598273962 /nfs/dbraw/zinc/27/39/62/598273962.db2.gz SIENKTILJAVGBQ-UHFFFAOYSA-N -1 1 351.392 -0.401 20 0 FBADMM CNC(=O)C1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC000736871631 598273961 /nfs/dbraw/zinc/27/39/61/598273961.db2.gz SIENKTILJAVGBQ-UHFFFAOYSA-N -1 1 351.392 -0.401 20 0 FBADMM CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736871680 598711301 /nfs/dbraw/zinc/71/13/01/598711301.db2.gz VSMGMJRHGOECFM-SECBINFHSA-N -1 1 351.392 -0.592 20 0 FBADMM CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736871680 598711300 /nfs/dbraw/zinc/71/13/00/598711300.db2.gz VSMGMJRHGOECFM-SECBINFHSA-N -1 1 351.392 -0.592 20 0 FBADMM CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736871682 598710914 /nfs/dbraw/zinc/71/09/14/598710914.db2.gz VSMGMJRHGOECFM-VIFPVBQESA-N -1 1 351.392 -0.592 20 0 FBADMM CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736871682 598710912 /nfs/dbraw/zinc/71/09/12/598710912.db2.gz VSMGMJRHGOECFM-VIFPVBQESA-N -1 1 351.392 -0.592 20 0 FBADMM CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736871933 598264095 /nfs/dbraw/zinc/26/40/95/598264095.db2.gz UQHWARZULPGQOT-LLVKDONJSA-N -1 1 351.392 -0.449 20 0 FBADMM CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736871933 598264094 /nfs/dbraw/zinc/26/40/94/598264094.db2.gz UQHWARZULPGQOT-LLVKDONJSA-N -1 1 351.392 -0.449 20 0 FBADMM CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736871934 598264437 /nfs/dbraw/zinc/26/44/37/598264437.db2.gz UQHWARZULPGQOT-NSHDSACASA-N -1 1 351.392 -0.449 20 0 FBADMM CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736871934 598264435 /nfs/dbraw/zinc/26/44/35/598264435.db2.gz UQHWARZULPGQOT-NSHDSACASA-N -1 1 351.392 -0.449 20 0 FBADMM CNC(=O)CN1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000736875440 598936502 /nfs/dbraw/zinc/93/65/02/598936502.db2.gz XOOQEKUOXWQMEA-UHFFFAOYSA-N -1 1 353.390 -0.322 20 0 FBADMM CNC(=O)CN1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000736875440 598936501 /nfs/dbraw/zinc/93/65/01/598936501.db2.gz XOOQEKUOXWQMEA-UHFFFAOYSA-N -1 1 353.390 -0.322 20 0 FBADMM CNC(=O)c1ccc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)nn1 ZINC000736876697 599120928 /nfs/dbraw/zinc/12/09/28/599120928.db2.gz CELJVZRTPWXFQH-UHFFFAOYSA-N -1 1 357.382 -0.609 20 0 FBADMM CNS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736881176 599033201 /nfs/dbraw/zinc/03/32/01/599033201.db2.gz AJCYZPPKGBJVFF-JTQLQIEISA-N -1 1 351.392 -0.585 20 0 FBADMM CNS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736881176 599033199 /nfs/dbraw/zinc/03/31/99/599033199.db2.gz AJCYZPPKGBJVFF-JTQLQIEISA-N -1 1 351.392 -0.585 20 0 FBADMM CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736881177 599033082 /nfs/dbraw/zinc/03/30/82/599033082.db2.gz AJCYZPPKGBJVFF-SNVBAGLBSA-N -1 1 351.392 -0.585 20 0 FBADMM CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736881177 599033080 /nfs/dbraw/zinc/03/30/80/599033080.db2.gz AJCYZPPKGBJVFF-SNVBAGLBSA-N -1 1 351.392 -0.585 20 0 FBADMM CNc1cc2c(nn1)CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC000736887318 599272916 /nfs/dbraw/zinc/27/29/16/599272916.db2.gz OJGYBWOYLWDNEE-UHFFFAOYSA-N -1 1 373.402 -0.160 20 0 FBADMM CNc1cc2c(nn1)CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC000736887318 599272914 /nfs/dbraw/zinc/27/29/14/599272914.db2.gz OJGYBWOYLWDNEE-UHFFFAOYSA-N -1 1 373.402 -0.160 20 0 FBADMM COC(=O)[C@](C)(NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC000736887900 599449177 /nfs/dbraw/zinc/44/91/77/599449177.db2.gz JCIAOBQAHQWJNT-CYBMUJFWSA-N -1 1 352.376 -0.118 20 0 FBADMM COC(=O)[C@](C)(NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC000736887900 599449176 /nfs/dbraw/zinc/44/91/76/599449176.db2.gz JCIAOBQAHQWJNT-CYBMUJFWSA-N -1 1 352.376 -0.118 20 0 FBADMM COC(=O)[C@@](C)(NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC000736887901 599449599 /nfs/dbraw/zinc/44/95/99/599449599.db2.gz JCIAOBQAHQWJNT-ZDUSSCGKSA-N -1 1 352.376 -0.118 20 0 FBADMM COC(=O)[C@@](C)(NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC000736887901 599449597 /nfs/dbraw/zinc/44/95/97/599449597.db2.gz JCIAOBQAHQWJNT-ZDUSSCGKSA-N -1 1 352.376 -0.118 20 0 FBADMM CC[C@H](C)[C@H](NC(=O)CN1CCO[C@H](CN2CCN(C)CC2)C1)C(=O)[O-] ZINC000736889072 599970602 /nfs/dbraw/zinc/97/06/02/599970602.db2.gz WONSWOJSVPPSQF-UXLLHSPISA-N -1 1 370.494 -0.450 20 0 FBADMM CC[C@H](C)[C@@H](NC(=O)CN1CCO[C@@H](CN2CCN(C)CC2)C1)C(=O)[O-] ZINC000736889073 599970945 /nfs/dbraw/zinc/97/09/45/599970945.db2.gz WONSWOJSVPPSQF-YQQAZPJKSA-N -1 1 370.494 -0.450 20 0 FBADMM CC[C@H](C)[C@@H](NC(=O)CN1CCO[C@H](CN2CCN(C)CC2)C1)C(=O)[O-] ZINC000736889074 599971012 /nfs/dbraw/zinc/97/10/12/599971012.db2.gz WONSWOJSVPPSQF-ZMSDIMECSA-N -1 1 370.494 -0.450 20 0 FBADMM CC[C@H](C)[C@H](NC(=O)CN1CCO[C@@H](CN2CCN(C)CC2)C1)C(=O)[O-] ZINC000736889075 599970840 /nfs/dbraw/zinc/97/08/40/599970840.db2.gz WONSWOJSVPPSQF-ZOBUZTSGSA-N -1 1 370.494 -0.450 20 0 FBADMM COC(=O)C1CCC(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC000736906968 598387525 /nfs/dbraw/zinc/38/75/25/598387525.db2.gz APTCZRQJIJKOOI-UHFFFAOYSA-N -1 1 363.378 -0.592 20 0 FBADMM COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736909782 598464665 /nfs/dbraw/zinc/46/46/65/598464665.db2.gz LKEPEBFIRIWICA-SECBINFHSA-N -1 1 352.376 -0.165 20 0 FBADMM COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736909782 598464664 /nfs/dbraw/zinc/46/46/64/598464664.db2.gz LKEPEBFIRIWICA-SECBINFHSA-N -1 1 352.376 -0.165 20 0 FBADMM COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736909783 599369144 /nfs/dbraw/zinc/36/91/44/599369144.db2.gz LKEPEBFIRIWICA-VIFPVBQESA-N -1 1 352.376 -0.165 20 0 FBADMM COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736909783 599369143 /nfs/dbraw/zinc/36/91/43/599369143.db2.gz LKEPEBFIRIWICA-VIFPVBQESA-N -1 1 352.376 -0.165 20 0 FBADMM COC(=O)[C@@H]1CN(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000736911281 598685038 /nfs/dbraw/zinc/68/50/38/598685038.db2.gz FLLJEIZEQBYIQM-JTQLQIEISA-N -1 1 364.362 -0.111 20 0 FBADMM COC(=O)[C@H]1CN(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000736911282 598685116 /nfs/dbraw/zinc/68/51/16/598685116.db2.gz FLLJEIZEQBYIQM-SNVBAGLBSA-N -1 1 364.362 -0.111 20 0 FBADMM COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736911799 606434596 /nfs/dbraw/zinc/43/45/96/606434596.db2.gz WLGHPBZSYFLBOC-LLVKDONJSA-N -1 1 352.376 -0.022 20 0 FBADMM COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736911799 606434594 /nfs/dbraw/zinc/43/45/94/606434594.db2.gz WLGHPBZSYFLBOC-LLVKDONJSA-N -1 1 352.376 -0.022 20 0 FBADMM COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736911800 598262314 /nfs/dbraw/zinc/26/23/14/598262314.db2.gz WLGHPBZSYFLBOC-NSHDSACASA-N -1 1 352.376 -0.022 20 0 FBADMM COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736911800 598262311 /nfs/dbraw/zinc/26/23/11/598262311.db2.gz WLGHPBZSYFLBOC-NSHDSACASA-N -1 1 352.376 -0.022 20 0 FBADMM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCO1 ZINC000736911968 598694961 /nfs/dbraw/zinc/69/49/61/598694961.db2.gz JYMNAOXTNNPXCP-LLVKDONJSA-N -1 1 371.350 -0.432 20 0 FBADMM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCO1 ZINC000736911970 598694733 /nfs/dbraw/zinc/69/47/33/598694733.db2.gz JYMNAOXTNNPXCP-NSHDSACASA-N -1 1 371.350 -0.432 20 0 FBADMM COC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736912852 598259371 /nfs/dbraw/zinc/25/93/71/598259371.db2.gz RQYCPBOOQARSBZ-UHFFFAOYSA-N -1 1 352.376 -0.165 20 0 FBADMM COC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736912852 598259370 /nfs/dbraw/zinc/25/93/70/598259370.db2.gz RQYCPBOOQARSBZ-UHFFFAOYSA-N -1 1 352.376 -0.165 20 0 FBADMM COC(=O)C1CCN(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736912897 599143742 /nfs/dbraw/zinc/14/37/42/599143742.db2.gz TVRBAQYHLQWYIM-UHFFFAOYSA-N -1 1 374.357 -0.170 20 0 FBADMM COC(=O)C1CCN(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736912897 599143737 /nfs/dbraw/zinc/14/37/37/599143737.db2.gz TVRBAQYHLQWYIM-UHFFFAOYSA-N -1 1 374.357 -0.170 20 0 FBADMM COC(=O)CCCc1nc(Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)no1 ZINC000736912949 598640770 /nfs/dbraw/zinc/64/07/70/598640770.db2.gz JYVUDEZWLUJBDP-UHFFFAOYSA-N -1 1 374.361 -0.033 20 0 FBADMM COC(=O)CCNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736918996 598719409 /nfs/dbraw/zinc/71/94/09/598719409.db2.gz MLIMDFVCXZNILZ-UHFFFAOYSA-N -1 1 356.342 -0.139 20 0 FBADMM CC[C@@H](O)CN1CCN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])CC1 ZINC000736927375 600670832 /nfs/dbraw/zinc/67/08/32/600670832.db2.gz NQZNDBYMXHEJEA-LLVKDONJSA-N -1 1 357.432 -0.075 20 0 FBADMM CC[C@H](O)CN1CCN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])CC1 ZINC000736927376 600670609 /nfs/dbraw/zinc/67/06/09/600670609.db2.gz NQZNDBYMXHEJEA-NSHDSACASA-N -1 1 357.432 -0.075 20 0 FBADMM COC(=O)CSCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736931012 598313681 /nfs/dbraw/zinc/31/36/81/598313681.db2.gz NLXIUSLNRDULMN-UHFFFAOYSA-N -1 1 358.405 -0.554 20 0 FBADMM COC(=O)CSCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736931012 598313680 /nfs/dbraw/zinc/31/36/80/598313680.db2.gz NLXIUSLNRDULMN-UHFFFAOYSA-N -1 1 358.405 -0.554 20 0 FBADMM COC(=O)Cc1cccc(Oc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000736931068 598580311 /nfs/dbraw/zinc/58/03/11/598580311.db2.gz OHVSANAUDSBONR-UHFFFAOYSA-N -1 1 372.341 -0.228 20 0 FBADMM COC(=O)N1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736936344 598356691 /nfs/dbraw/zinc/35/66/91/598356691.db2.gz OYADPOZOFQCGLN-SECBINFHSA-N -1 1 367.391 -0.229 20 0 FBADMM COC(=O)N1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736936344 598356689 /nfs/dbraw/zinc/35/66/89/598356689.db2.gz OYADPOZOFQCGLN-SECBINFHSA-N -1 1 367.391 -0.229 20 0 FBADMM COC(=O)N1CCC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736936345 598356563 /nfs/dbraw/zinc/35/65/63/598356563.db2.gz OYADPOZOFQCGLN-VIFPVBQESA-N -1 1 367.391 -0.229 20 0 FBADMM COC(=O)N1CCC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736936345 598356561 /nfs/dbraw/zinc/35/65/61/598356561.db2.gz OYADPOZOFQCGLN-VIFPVBQESA-N -1 1 367.391 -0.229 20 0 FBADMM COC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736936351 598268924 /nfs/dbraw/zinc/26/89/24/598268924.db2.gz PHUIIYHUWBWWQP-UHFFFAOYSA-N -1 1 367.391 -0.229 20 0 FBADMM COC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736936351 598268923 /nfs/dbraw/zinc/26/89/23/598268923.db2.gz PHUIIYHUWBWWQP-UHFFFAOYSA-N -1 1 367.391 -0.229 20 0 FBADMM COC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736936935 598267809 /nfs/dbraw/zinc/26/78/09/598267809.db2.gz SOSPLFNONYNQDS-UHFFFAOYSA-N -1 1 353.364 -0.666 20 0 FBADMM COC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736936935 598267807 /nfs/dbraw/zinc/26/78/07/598267807.db2.gz SOSPLFNONYNQDS-UHFFFAOYSA-N -1 1 353.364 -0.666 20 0 FBADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCCOC(=O)NC(N)=O)c1 ZINC000736938926 598892038 /nfs/dbraw/zinc/89/20/38/598892038.db2.gz DBMKOZVDABEGFE-UHFFFAOYSA-N -1 1 365.306 -0.990 20 0 FBADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCCS(=O)(=O)N(C)C)c1 ZINC000736939010 598504004 /nfs/dbraw/zinc/50/40/04/598504004.db2.gz FKANMUJLGSYTDS-UHFFFAOYSA-N -1 1 370.391 -0.904 20 0 FBADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CC(=O)NCc2cccnc2)c1 ZINC000736939663 598613879 /nfs/dbraw/zinc/61/38/79/598613879.db2.gz JRFXWWPHDCQNEI-UHFFFAOYSA-N -1 1 369.341 -0.474 20 0 FBADMM COC(=O)c1ccc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)o1 ZINC000736947005 598943175 /nfs/dbraw/zinc/94/31/75/598943175.db2.gz AEKNSTUFHUFWTQ-UHFFFAOYSA-N -1 1 361.318 -0.744 20 0 FBADMM COC[C@@H](C)NC(=O)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736969817 599141427 /nfs/dbraw/zinc/14/14/27/599141427.db2.gz NNCXUWNUDRCMFL-MRVPVSSYSA-N -1 1 363.334 -0.721 20 0 FBADMM COC[C@@H](C)NC(=O)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736969817 599141424 /nfs/dbraw/zinc/14/14/24/599141424.db2.gz NNCXUWNUDRCMFL-MRVPVSSYSA-N -1 1 363.334 -0.721 20 0 FBADMM COC[C@H](C)NC(=O)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736969818 599141698 /nfs/dbraw/zinc/14/16/98/599141698.db2.gz NNCXUWNUDRCMFL-QMMMGPOBSA-N -1 1 363.334 -0.721 20 0 FBADMM COC[C@H](C)NC(=O)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736969818 599141696 /nfs/dbraw/zinc/14/16/96/599141696.db2.gz NNCXUWNUDRCMFL-QMMMGPOBSA-N -1 1 363.334 -0.721 20 0 FBADMM CCCC[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000736981002 599706420 /nfs/dbraw/zinc/70/64/20/599706420.db2.gz WPDMKMVSADFPJT-AWEZNQCLSA-N -1 1 362.496 -0.260 20 0 FBADMM CCCC[C@H](C(=O)[O-])N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000736981003 599706711 /nfs/dbraw/zinc/70/67/11/599706711.db2.gz WPDMKMVSADFPJT-CQSZACIVSA-N -1 1 362.496 -0.260 20 0 FBADMM COCCCN(CCOC)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736981547 598267698 /nfs/dbraw/zinc/26/76/98/598267698.db2.gz MJRKFCIRBNDLQV-UHFFFAOYSA-N -1 1 356.408 -0.065 20 0 FBADMM COCCCN(CCOC)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736981547 598267697 /nfs/dbraw/zinc/26/76/97/598267697.db2.gz MJRKFCIRBNDLQV-UHFFFAOYSA-N -1 1 356.408 -0.065 20 0 FBADMM COCCCNC(=O)[C@@H](C)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000736986164 599429780 /nfs/dbraw/zinc/42/97/80/599429780.db2.gz IRRFLQKXEJKEEG-CYBMUJFWSA-N -1 1 374.449 -0.075 20 0 FBADMM COCCCNC(=O)[C@H](C)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000736986165 599429071 /nfs/dbraw/zinc/42/90/71/599429071.db2.gz IRRFLQKXEJKEEG-ZDUSSCGKSA-N -1 1 374.449 -0.075 20 0 FBADMM COCCN([C@H](C)C(N)=O)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736988291 598369973 /nfs/dbraw/zinc/36/99/73/598369973.db2.gz KBTKKMPXRUIZPY-MRVPVSSYSA-N -1 1 372.382 -0.483 20 0 FBADMM COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736988292 598370116 /nfs/dbraw/zinc/37/01/16/598370116.db2.gz KBTKKMPXRUIZPY-QMMMGPOBSA-N -1 1 372.382 -0.483 20 0 FBADMM COCCN(CC(=O)OC)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736989506 598836161 /nfs/dbraw/zinc/83/61/61/598836161.db2.gz CXZOCHXPSAFWMO-UHFFFAOYSA-N -1 1 373.366 -0.184 20 0 FBADMM COCCN(CC(=O)OC)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736990318 598836066 /nfs/dbraw/zinc/83/60/66/598836066.db2.gz NDOMHNFLURCBRE-UHFFFAOYSA-N -1 1 356.364 -0.928 20 0 FBADMM COCCN(CC(=O)OC)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736990318 598836064 /nfs/dbraw/zinc/83/60/64/598836064.db2.gz NDOMHNFLURCBRE-UHFFFAOYSA-N -1 1 356.364 -0.928 20 0 FBADMM COCCN(CCC(=O)OC)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736994059 598836126 /nfs/dbraw/zinc/83/61/26/598836126.db2.gz CFBBYPKROZMIRH-UHFFFAOYSA-N -1 1 370.391 -0.538 20 0 FBADMM COCCN(CCC(=O)OC)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736994059 598836125 /nfs/dbraw/zinc/83/61/25/598836125.db2.gz CFBBYPKROZMIRH-UHFFFAOYSA-N -1 1 370.391 -0.538 20 0 FBADMM COCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H]1C ZINC000737002408 599237186 /nfs/dbraw/zinc/23/71/86/599237186.db2.gz AJCMINWRBRMHDC-LLVKDONJSA-N -1 1 367.435 -0.397 20 0 FBADMM COCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H]1C ZINC000737002408 599237185 /nfs/dbraw/zinc/23/71/85/599237185.db2.gz AJCMINWRBRMHDC-LLVKDONJSA-N -1 1 367.435 -0.397 20 0 FBADMM COCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1C ZINC000737002409 599237120 /nfs/dbraw/zinc/23/71/20/599237120.db2.gz AJCMINWRBRMHDC-NSHDSACASA-N -1 1 367.435 -0.397 20 0 FBADMM COCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1C ZINC000737002409 599237119 /nfs/dbraw/zinc/23/71/19/599237119.db2.gz AJCMINWRBRMHDC-NSHDSACASA-N -1 1 367.435 -0.397 20 0 FBADMM COCCOCCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737006595 598271977 /nfs/dbraw/zinc/27/19/77/598271977.db2.gz SITMCFOXKMFCAY-UHFFFAOYSA-N -1 1 356.408 -0.017 20 0 FBADMM COCCOCCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737006595 598271975 /nfs/dbraw/zinc/27/19/75/598271975.db2.gz SITMCFOXKMFCAY-UHFFFAOYSA-N -1 1 356.408 -0.017 20 0 FBADMM COCCNC(=O)Cn1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000737006712 599093768 /nfs/dbraw/zinc/09/37/68/599093768.db2.gz NGYHCASAKQHKNZ-UHFFFAOYSA-N -1 1 371.361 -0.527 20 0 FBADMM COCCNC(=O)Cn1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000737006712 599093765 /nfs/dbraw/zinc/09/37/65/599093765.db2.gz NGYHCASAKQHKNZ-UHFFFAOYSA-N -1 1 371.361 -0.527 20 0 FBADMM COCCS(=O)(=O)CCCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737015247 599141397 /nfs/dbraw/zinc/14/13/97/599141397.db2.gz VOOOAXJXGBCBFK-UHFFFAOYSA-N -1 1 355.376 -0.130 20 0 FBADMM COCCS(=O)(=O)CCCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737015247 599141394 /nfs/dbraw/zinc/14/13/94/599141394.db2.gz VOOOAXJXGBCBFK-UHFFFAOYSA-N -1 1 355.376 -0.130 20 0 FBADMM COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)NCc1nn[n-]n1 ZINC000737032124 598626365 /nfs/dbraw/zinc/62/63/65/598626365.db2.gz DIYFYHBDHNKBIB-UHFFFAOYSA-N -1 1 359.350 -0.136 20 0 FBADMM COc1cc(CCNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)ccc1O ZINC000737045167 598943037 /nfs/dbraw/zinc/94/30/37/598943037.db2.gz FUEGMGXOEXTDAT-UHFFFAOYSA-N -1 1 373.373 -0.367 20 0 FBADMM COc1cccc([C@H](O)CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000737128494 598678399 /nfs/dbraw/zinc/67/83/99/598678399.db2.gz OFRBRXYZIJIOLN-LLVKDONJSA-N -1 1 373.373 -0.582 20 0 FBADMM COc1cccc([C@@H](O)CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000737128507 598678143 /nfs/dbraw/zinc/67/81/43/598678143.db2.gz OFRBRXYZIJIOLN-NSHDSACASA-N -1 1 373.373 -0.582 20 0 FBADMM COc1ccccc1[C@H](CO)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000737143797 599170982 /nfs/dbraw/zinc/17/09/82/599170982.db2.gz ZSTOSRRNKNLQRB-JTQLQIEISA-N -1 1 373.373 -0.582 20 0 FBADMM COc1ccccc1[C@@H](CO)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000737143799 599171214 /nfs/dbraw/zinc/17/12/14/599171214.db2.gz ZSTOSRRNKNLQRB-SNVBAGLBSA-N -1 1 373.373 -0.582 20 0 FBADMM COc1ccccc1CCN(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000737150103 598797636 /nfs/dbraw/zinc/79/76/36/598797636.db2.gz NABMPBDKYOIATG-UHFFFAOYSA-N -1 1 371.401 -0.048 20 0 FBADMM CCOC(=O)c1ccc(N2CCN(CCC(=O)NCC(=O)[O-])CC2)nc1 ZINC000737155470 600159356 /nfs/dbraw/zinc/15/93/56/600159356.db2.gz PNGZJIZWGAPVCC-UHFFFAOYSA-N -1 1 364.402 -0.029 20 0 FBADMM CCOC[C@H](O)CN1CCN(c2cc(C)nc3nc(C(=O)[O-])nn32)CC1 ZINC000737161228 600206212 /nfs/dbraw/zinc/20/62/12/600206212.db2.gz DEHRAFNDKLKOJU-GFCCVEGCSA-N -1 1 364.406 -0.350 20 0 FBADMM CCOC[C@@H](O)CN1CCN(c2cc(C)nc3nc(C(=O)[O-])nn32)CC1 ZINC000737161229 600206259 /nfs/dbraw/zinc/20/62/59/600206259.db2.gz DEHRAFNDKLKOJU-LBPRGKRZSA-N -1 1 364.406 -0.350 20 0 FBADMM CS(=O)(=O)CCN1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC000737161622 598591933 /nfs/dbraw/zinc/59/19/33/598591933.db2.gz AVKCADVQAOJHRB-UHFFFAOYSA-N -1 1 352.424 -0.422 20 0 FBADMM CS(=O)(=O)CCN1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC000737161622 598591931 /nfs/dbraw/zinc/59/19/31/598591931.db2.gz AVKCADVQAOJHRB-UHFFFAOYSA-N -1 1 352.424 -0.422 20 0 FBADMM COc1nc(C)cc(C)c1CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000737163857 598458639 /nfs/dbraw/zinc/45/86/39/598458639.db2.gz QVTJXXYLMROHLN-UHFFFAOYSA-N -1 1 372.389 -0.103 20 0 FBADMM CS(=O)(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737165398 599025883 /nfs/dbraw/zinc/02/58/83/599025883.db2.gz ITEQNUPMTSRSSC-JTQLQIEISA-N -1 1 351.392 -0.585 20 0 FBADMM CS(=O)(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737165398 599025882 /nfs/dbraw/zinc/02/58/82/599025882.db2.gz ITEQNUPMTSRSSC-JTQLQIEISA-N -1 1 351.392 -0.585 20 0 FBADMM CS(=O)(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737165399 599025926 /nfs/dbraw/zinc/02/59/26/599025926.db2.gz ITEQNUPMTSRSSC-SNVBAGLBSA-N -1 1 351.392 -0.585 20 0 FBADMM CS(=O)(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737165399 599025923 /nfs/dbraw/zinc/02/59/23/599025923.db2.gz ITEQNUPMTSRSSC-SNVBAGLBSA-N -1 1 351.392 -0.585 20 0 FBADMM CS(=O)(=O)N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000737165450 598955854 /nfs/dbraw/zinc/95/58/54/598955854.db2.gz KCPSKPHDUOYACO-UHFFFAOYSA-N -1 1 360.403 -0.109 20 0 FBADMM CS(=O)(=O)N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000737165450 598955853 /nfs/dbraw/zinc/95/58/53/598955853.db2.gz KCPSKPHDUOYACO-UHFFFAOYSA-N -1 1 360.403 -0.109 20 0 FBADMM CS(=O)(=O)N1CCC(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737167220 599000349 /nfs/dbraw/zinc/00/03/49/599000349.db2.gz UFTKZTWNLUDOSL-UHFFFAOYSA-N -1 1 365.419 -0.337 20 0 FBADMM CS(=O)(=O)N1CCC(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737167220 599000347 /nfs/dbraw/zinc/00/03/47/599000347.db2.gz UFTKZTWNLUDOSL-UHFFFAOYSA-N -1 1 365.419 -0.337 20 0 FBADMM CS(=O)(=O)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737167242 599021091 /nfs/dbraw/zinc/02/10/91/599021091.db2.gz URWMXGUUNGXOIU-UHFFFAOYSA-N -1 1 351.392 -0.631 20 0 FBADMM CS(=O)(=O)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737167242 599021089 /nfs/dbraw/zinc/02/10/89/599021089.db2.gz URWMXGUUNGXOIU-UHFFFAOYSA-N -1 1 351.392 -0.631 20 0 FBADMM CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737167986 599022801 /nfs/dbraw/zinc/02/28/01/599022801.db2.gz XMEKMUBPCQHYGJ-JTQLQIEISA-N -1 1 351.392 -0.585 20 0 FBADMM CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737167986 599022800 /nfs/dbraw/zinc/02/28/00/599022800.db2.gz XMEKMUBPCQHYGJ-JTQLQIEISA-N -1 1 351.392 -0.585 20 0 FBADMM CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737167988 599023061 /nfs/dbraw/zinc/02/30/61/599023061.db2.gz XMEKMUBPCQHYGJ-SNVBAGLBSA-N -1 1 351.392 -0.585 20 0 FBADMM CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737167988 599023060 /nfs/dbraw/zinc/02/30/60/599023060.db2.gz XMEKMUBPCQHYGJ-SNVBAGLBSA-N -1 1 351.392 -0.585 20 0 FBADMM CS(=O)(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737168037 599020673 /nfs/dbraw/zinc/02/06/73/599020673.db2.gz XYMVOBFUBNZCQD-UHFFFAOYSA-N -1 1 351.392 -0.585 20 0 FBADMM CS(=O)(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737168037 599020672 /nfs/dbraw/zinc/02/06/72/599020672.db2.gz XYMVOBFUBNZCQD-UHFFFAOYSA-N -1 1 351.392 -0.585 20 0 FBADMM CS(=O)(=O)N[C@@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000737168707 598971068 /nfs/dbraw/zinc/97/10/68/598971068.db2.gz JZUCHIHTZCTCQY-SECBINFHSA-N -1 1 360.403 -0.062 20 0 FBADMM CS(=O)(=O)N[C@@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000737168707 598971066 /nfs/dbraw/zinc/97/10/66/598971066.db2.gz JZUCHIHTZCTCQY-SECBINFHSA-N -1 1 360.403 -0.062 20 0 FBADMM CS(=O)(=O)N[C@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000737168712 598971130 /nfs/dbraw/zinc/97/11/30/598971130.db2.gz JZUCHIHTZCTCQY-VIFPVBQESA-N -1 1 360.403 -0.062 20 0 FBADMM CS(=O)(=O)N[C@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000737168712 598971128 /nfs/dbraw/zinc/97/11/28/598971128.db2.gz JZUCHIHTZCTCQY-VIFPVBQESA-N -1 1 360.403 -0.062 20 0 FBADMM CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737168966 598991049 /nfs/dbraw/zinc/99/10/49/598991049.db2.gz NQIQIQRLDJUAPE-LLVKDONJSA-N -1 1 365.419 -0.194 20 0 FBADMM CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737168966 598991048 /nfs/dbraw/zinc/99/10/48/598991048.db2.gz NQIQIQRLDJUAPE-LLVKDONJSA-N -1 1 365.419 -0.194 20 0 FBADMM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737168968 598991516 /nfs/dbraw/zinc/99/15/16/598991516.db2.gz NQIQIQRLDJUAPE-NSHDSACASA-N -1 1 365.419 -0.194 20 0 FBADMM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737168968 598991514 /nfs/dbraw/zinc/99/15/14/598991514.db2.gz NQIQIQRLDJUAPE-NSHDSACASA-N -1 1 365.419 -0.194 20 0 FBADMM CS(=O)(=O)Nc1cccc(CC(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC000737169373 598409080 /nfs/dbraw/zinc/40/90/80/598409080.db2.gz VIRGUGHRCMIYMJ-UHFFFAOYSA-N -1 1 362.375 -0.100 20 0 FBADMM CS(=O)(=O)Nc1ccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1 ZINC000737169496 660497807 /nfs/dbraw/zinc/49/78/07/660497807.db2.gz ZPXHYQBMUCAPKP-LLVKDONJSA-N -1 1 352.376 -0.215 20 0 FBADMM CS(=O)(=O)Nc1ccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1 ZINC000737169497 660497581 /nfs/dbraw/zinc/49/75/81/660497581.db2.gz ZPXHYQBMUCAPKP-NSHDSACASA-N -1 1 352.376 -0.215 20 0 FBADMM CS(=O)(=O)c1nnc(NC(=O)CCc2ccc(-c3nn[nH]n3)cc2)[n-]1 ZINC000737172295 598286964 /nfs/dbraw/zinc/28/69/64/598286964.db2.gz IZCZDROHZNIAQZ-UHFFFAOYSA-N -1 1 362.375 -0.040 20 0 FBADMM CS(=O)(=O)c1n[n-]c(NC(=O)CCc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000737172295 598286963 /nfs/dbraw/zinc/28/69/63/598286963.db2.gz IZCZDROHZNIAQZ-UHFFFAOYSA-N -1 1 362.375 -0.040 20 0 FBADMM CS(=O)(=O)c1nnc(NC(=O)COc2ccccc2-c2nn[nH]n2)[n-]1 ZINC000737173929 598286743 /nfs/dbraw/zinc/28/67/43/598286743.db2.gz QSIIDZMPRXFQDR-UHFFFAOYSA-N -1 1 364.347 -0.594 20 0 FBADMM CS(=O)(=O)c1n[n-]c(NC(=O)COc2ccccc2-c2nn[nH]n2)n1 ZINC000737173929 598286740 /nfs/dbraw/zinc/28/67/40/598286740.db2.gz QSIIDZMPRXFQDR-UHFFFAOYSA-N -1 1 364.347 -0.594 20 0 FBADMM CS(=O)(=O)c1nnc(NC(=O)COc2cccc(-c3nn[nH]n3)c2)[n-]1 ZINC000737173956 598286463 /nfs/dbraw/zinc/28/64/63/598286463.db2.gz QYCLILKRKCOULR-UHFFFAOYSA-N -1 1 364.347 -0.594 20 0 FBADMM CS(=O)(=O)c1n[n-]c(NC(=O)COc2cccc(-c3nn[nH]n3)c2)n1 ZINC000737173956 598286461 /nfs/dbraw/zinc/28/64/61/598286461.db2.gz QYCLILKRKCOULR-UHFFFAOYSA-N -1 1 364.347 -0.594 20 0 FBADMM CS(=O)(=O)c1nnc(NC(=O)CNc2ccc(-c3nn[nH]n3)cc2)[n-]1 ZINC000737174156 598286730 /nfs/dbraw/zinc/28/67/30/598286730.db2.gz SHYZNACLXSHBTM-UHFFFAOYSA-N -1 1 363.363 -0.561 20 0 FBADMM CS(=O)(=O)c1n[n-]c(NC(=O)CNc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000737174156 598286728 /nfs/dbraw/zinc/28/67/28/598286728.db2.gz SHYZNACLXSHBTM-UHFFFAOYSA-N -1 1 363.363 -0.561 20 0 FBADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C(N)=O)C(C)C)cc1-c1nn[n-]n1 ZINC000737186709 598431600 /nfs/dbraw/zinc/43/16/00/598431600.db2.gz KZSIHRAGSVYPMO-MRVPVSSYSA-N -1 1 351.392 -0.071 20 0 FBADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C(N)=O)C(C)C)cc1-c1nn[n-]n1 ZINC000737186712 598431534 /nfs/dbraw/zinc/43/15/34/598431534.db2.gz KZSIHRAGSVYPMO-QMMMGPOBSA-N -1 1 351.392 -0.071 20 0 FBADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CN(C)CCO2)cc1-c1nn[n-]n1 ZINC000737187781 598286774 /nfs/dbraw/zinc/28/67/74/598286774.db2.gz UYCKYDDUZMJJCH-MRVPVSSYSA-N -1 1 365.419 -0.250 20 0 FBADMM CSc1[nH]c(=O)c(C(=O)NC[C@H]2CN(C)CCO2)cc1-c1nn[n-]n1 ZINC000737187782 598287038 /nfs/dbraw/zinc/28/70/38/598287038.db2.gz UYCKYDDUZMJJCH-QMMMGPOBSA-N -1 1 365.419 -0.250 20 0 FBADMM CCOc1cc(C)nc(N2CCN(CCC(=O)NCC(=O)[O-])CC2)n1 ZINC000737193443 600301105 /nfs/dbraw/zinc/30/11/05/600301105.db2.gz REDMLWPNYLHGJK-UHFFFAOYSA-N -1 1 351.407 -0.103 20 0 FBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCN(C)C(=O)C1 ZINC000737198535 598950744 /nfs/dbraw/zinc/95/07/44/598950744.db2.gz APBMKNBGRWVRKR-UHFFFAOYSA-N -1 1 359.390 -0.183 20 0 FBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCCNC(=O)C1 ZINC000737198652 598367531 /nfs/dbraw/zinc/36/75/31/598367531.db2.gz BYSIIMNDPWSIHB-UHFFFAOYSA-N -1 1 359.390 -0.135 20 0 FBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCNC(=O)[C@@H]1C ZINC000737199261 598505394 /nfs/dbraw/zinc/50/53/94/598505394.db2.gz GGQCTNUPXOXNQX-JTQLQIEISA-N -1 1 359.390 -0.136 20 0 FBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCNC(=O)[C@H]1C ZINC000737199267 598505275 /nfs/dbraw/zinc/50/52/75/598505275.db2.gz GGQCTNUPXOXNQX-SNVBAGLBSA-N -1 1 359.390 -0.136 20 0 FBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1nnnn1C ZINC000737200331 598842808 /nfs/dbraw/zinc/84/28/08/598842808.db2.gz LJPPMFFAXHLQTR-UHFFFAOYSA-N -1 1 359.350 -0.216 20 0 FBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCN(C)C1=O ZINC000737201811 599560059 /nfs/dbraw/zinc/56/00/59/599560059.db2.gz WNOCRAZCWLYXQA-LLVKDONJSA-N -1 1 359.390 -0.136 20 0 FBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CCN(C)C1=O ZINC000737201813 599560174 /nfs/dbraw/zinc/56/01/74/599560174.db2.gz WNOCRAZCWLYXQA-NSHDSACASA-N -1 1 359.390 -0.136 20 0 FBADMM CCOc1ccnc(N2CCN(CCC(=O)N(C)CC(=O)[O-])CC2)n1 ZINC000737217117 600301836 /nfs/dbraw/zinc/30/18/36/600301836.db2.gz CBCOZWJQHZUJLE-UHFFFAOYSA-N -1 1 351.407 -0.070 20 0 FBADMM Cc1cc(=O)n2[n-]c(NC(=O)COc3ccc(-c4nn[nH]n4)cc3)nc2n1 ZINC000737225386 598313056 /nfs/dbraw/zinc/31/30/56/598313056.db2.gz CVGSGCWWLBJORN-UHFFFAOYSA-N -1 1 367.329 -0.076 20 0 FBADMM Cc1cc(C)n(C2CN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)C2)n1 ZINC000737257709 598376143 /nfs/dbraw/zinc/37/61/43/598376143.db2.gz ULAKKVRHVPHUGO-UHFFFAOYSA-N -1 1 357.378 -0.861 20 0 FBADMM Cc1cc(NC(=O)CN2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)no1 ZINC000737269778 598385459 /nfs/dbraw/zinc/38/54/59/598385459.db2.gz ATGIZRIHUCSMQU-UHFFFAOYSA-N -1 1 370.377 -0.286 20 0 FBADMM Cc1cc(NC(=O)CN2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)no1 ZINC000737269778 598385456 /nfs/dbraw/zinc/38/54/56/598385456.db2.gz ATGIZRIHUCSMQU-UHFFFAOYSA-N -1 1 370.377 -0.286 20 0 FBADMM Cc1cc(NC(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)CC2)no1 ZINC000737270823 598341299 /nfs/dbraw/zinc/34/12/99/598341299.db2.gz HVJPUIAPZPLHRL-UHFFFAOYSA-N -1 1 370.377 -0.286 20 0 FBADMM Cc1cc(NC(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)CC2)no1 ZINC000737270823 598341297 /nfs/dbraw/zinc/34/12/97/598341297.db2.gz HVJPUIAPZPLHRL-UHFFFAOYSA-N -1 1 370.377 -0.286 20 0 FBADMM Cc1cc(N2CCN(c3nccnc3-c3nn[n-]n3)CC2)n2ncnc2n1 ZINC000737272890 598342687 /nfs/dbraw/zinc/34/26/87/598342687.db2.gz VLXWKFYSWLYXQC-UHFFFAOYSA-N -1 1 364.377 -0.271 20 0 FBADMM Cc1cc(N2CCN(c3nccnc3-c3nnn[n-]3)CC2)n2ncnc2n1 ZINC000737272890 598342686 /nfs/dbraw/zinc/34/26/86/598342686.db2.gz VLXWKFYSWLYXQC-UHFFFAOYSA-N -1 1 364.377 -0.271 20 0 FBADMM CN(C(=O)CN1CCN(CCC(=O)NCC(=O)[O-])CC1)C1CCCCC1 ZINC000737322666 600298997 /nfs/dbraw/zinc/29/89/97/600298997.db2.gz QSWMYXGMLXJEMD-UHFFFAOYSA-N -1 1 368.478 -0.014 20 0 FBADMM CN(C)C(=O)CN1CCN(C(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)CC1 ZINC000737349958 600289903 /nfs/dbraw/zinc/28/99/03/600289903.db2.gz KDNNURROTIEFBO-AWEZNQCLSA-N -1 1 366.462 -0.595 20 0 FBADMM CN(C)C(=O)CN1CCN(C(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)CC1 ZINC000737349960 600289529 /nfs/dbraw/zinc/28/95/29/600289529.db2.gz KDNNURROTIEFBO-CQSZACIVSA-N -1 1 366.462 -0.595 20 0 FBADMM CN(C)CC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])CC1 ZINC000737360795 599705933 /nfs/dbraw/zinc/70/59/33/599705933.db2.gz OJPCJIXBDCOWAP-UHFFFAOYSA-N -1 1 370.431 -0.758 20 0 FBADMM CN(C)S(=O)(=O)c1ccsc1C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000737374694 600181767 /nfs/dbraw/zinc/18/17/67/600181767.db2.gz WAQAHIKCHCBXCL-UHFFFAOYSA-N -1 1 359.389 -0.004 20 0 FBADMM CN(CC(=O)[N-]S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)[O-] ZINC000737393193 603045576 /nfs/dbraw/zinc/04/55/76/603045576.db2.gz JSMWEUSMFNPXME-UHFFFAOYSA-N -1 1 370.431 -0.225 20 0 FBADMM Cc1cccc(NCCNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)n1 ZINC000737399865 598896428 /nfs/dbraw/zinc/89/64/28/598896428.db2.gz NKWFBRPUYBLXLV-UHFFFAOYSA-N -1 1 357.378 -0.508 20 0 FBADMM CN(CC(=O)[O-])C(=O)CCN1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000737400844 600299248 /nfs/dbraw/zinc/29/92/48/600299248.db2.gz DTYLBYSPALCDRP-UHFFFAOYSA-N -1 1 368.478 -0.014 20 0 FBADMM CN(CC(=O)[O-])C(=O)CCN1CCN(CC(=O)N2CCCCC2)CC1 ZINC000737401103 600158246 /nfs/dbraw/zinc/15/82/46/600158246.db2.gz HPVSDYBSCRCSKI-UHFFFAOYSA-N -1 1 354.451 -0.450 20 0 FBADMM CN(CC(=O)[O-])C(=O)CCN1CCN(c2ncnc3c2cnn3C)CC1 ZINC000737401133 600286922 /nfs/dbraw/zinc/28/69/22/600286922.db2.gz JKWNCDKNWNPSRB-UHFFFAOYSA-N -1 1 361.406 -0.582 20 0 FBADMM CN(CC(=O)[O-])C(=O)CCN1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000737401752 600286326 /nfs/dbraw/zinc/28/63/26/600286326.db2.gz UUSHRULNJYRXMO-UHFFFAOYSA-N -1 1 368.478 -0.060 20 0 FBADMM CN(CC(=O)[O-])C(=O)CCN1CCN(CCn2ccccc2=O)CC1 ZINC000737401780 600300826 /nfs/dbraw/zinc/30/08/26/600300826.db2.gz VSDJREYVAVZURK-UHFFFAOYSA-N -1 1 350.419 -0.601 20 0 FBADMM Cc1cccc2nc(CNc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)cn21 ZINC000737417051 598593624 /nfs/dbraw/zinc/59/36/24/598593624.db2.gz FJOVHKBMJKNPBD-UHFFFAOYSA-N -1 1 367.373 -0.168 20 0 FBADMM Cc1ccccc1[C@H](O)CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000737420161 598773641 /nfs/dbraw/zinc/77/36/41/598773641.db2.gz JCDGUNWALOQPDT-LLVKDONJSA-N -1 1 357.374 -0.282 20 0 FBADMM Cc1ccccc1[C@@H](O)CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000737420162 598773367 /nfs/dbraw/zinc/77/33/67/598773367.db2.gz JCDGUNWALOQPDT-NSHDSACASA-N -1 1 357.374 -0.282 20 0 FBADMM CN(CCCN1C(=O)CS/C1=C\C(=O)[O-])CC(=O)N1CCOCC1 ZINC000737438266 600318040 /nfs/dbraw/zinc/31/80/40/600318040.db2.gz IYVOEIXPIQNUJL-ZROIWOOFSA-N -1 1 357.432 -0.332 20 0 FBADMM CN(CCCNC(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1)S(C)(=O)=O ZINC000737439017 600294280 /nfs/dbraw/zinc/29/42/80/600294280.db2.gz CXSCUIXWULYCDC-GFCCVEGCSA-N -1 1 361.464 -0.429 20 0 FBADMM CN(CCCNC(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1)S(C)(=O)=O ZINC000737439019 600294252 /nfs/dbraw/zinc/29/42/52/600294252.db2.gz CXSCUIXWULYCDC-LBPRGKRZSA-N -1 1 361.464 -0.429 20 0 FBADMM Cc1cnn([C@@H]2CCCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)C2)c1 ZINC000737446133 598339487 /nfs/dbraw/zinc/33/94/87/598339487.db2.gz WMVKMFNPGCUWJN-LLVKDONJSA-N -1 1 371.405 -0.389 20 0 FBADMM Cc1cnn([C@H]2CCCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)C2)c1 ZINC000737446135 598339592 /nfs/dbraw/zinc/33/95/92/598339592.db2.gz WMVKMFNPGCUWJN-NSHDSACASA-N -1 1 371.405 -0.389 20 0 FBADMM Cc1cn2cc(Nc3c(-c4nnn[n-]4)c(=O)n(C)c(=O)n3C)ccc2n1 ZINC000737446840 598933761 /nfs/dbraw/zinc/93/37/61/598933761.db2.gz VZJIXPPROTXSLG-UHFFFAOYSA-N -1 1 353.346 -0.036 20 0 FBADMM Cc1nc(C)c(CCNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)s1 ZINC000737473161 598503825 /nfs/dbraw/zinc/50/38/25/598503825.db2.gz FZYGNNJXBLOVSY-UHFFFAOYSA-N -1 1 362.419 -0.008 20 0 FBADMM Cc1nc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)no1 ZINC000737477726 599031698 /nfs/dbraw/zinc/03/16/98/599031698.db2.gz NKSMCZSSMWQZCA-UHFFFAOYSA-N -1 1 355.362 -0.089 20 0 FBADMM Cc1nc(CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)no1 ZINC000737477726 599031697 /nfs/dbraw/zinc/03/16/97/599031697.db2.gz NKSMCZSSMWQZCA-UHFFFAOYSA-N -1 1 355.362 -0.089 20 0 FBADMM Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000737487760 598409256 /nfs/dbraw/zinc/40/92/56/598409256.db2.gz MKLCDWAAWUOPDX-UHFFFAOYSA-N -1 1 368.361 -0.280 20 0 FBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCCC(N)=O ZINC000737487764 599276150 /nfs/dbraw/zinc/27/61/50/599276150.db2.gz MPUQZLMGYGBCHH-UHFFFAOYSA-N -1 1 357.378 -0.550 20 0 FBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCCC(N)=O ZINC000737487764 599276147 /nfs/dbraw/zinc/27/61/47/599276147.db2.gz MPUQZLMGYGBCHH-UHFFFAOYSA-N -1 1 357.378 -0.550 20 0 FBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H](C)CC(N)=O ZINC000737488214 599276287 /nfs/dbraw/zinc/27/62/87/599276287.db2.gz RMSLVPGFWNRUQC-MRVPVSSYSA-N -1 1 371.405 -0.161 20 0 FBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H](C)CC(N)=O ZINC000737488214 599276284 /nfs/dbraw/zinc/27/62/84/599276284.db2.gz RMSLVPGFWNRUQC-MRVPVSSYSA-N -1 1 371.405 -0.161 20 0 FBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H](C)CC(N)=O ZINC000737488215 599275886 /nfs/dbraw/zinc/27/58/86/599275886.db2.gz RMSLVPGFWNRUQC-QMMMGPOBSA-N -1 1 371.405 -0.161 20 0 FBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H](C)CC(N)=O ZINC000737488215 599275883 /nfs/dbraw/zinc/27/58/83/599275883.db2.gz RMSLVPGFWNRUQC-QMMMGPOBSA-N -1 1 371.405 -0.161 20 0 FBADMM Cc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC000737489843 598424635 /nfs/dbraw/zinc/42/46/35/598424635.db2.gz MZXMZCXYUYLDJY-SECBINFHSA-N -1 1 361.391 -0.545 20 0 FBADMM Cc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC000737489843 598424633 /nfs/dbraw/zinc/42/46/33/598424633.db2.gz MZXMZCXYUYLDJY-SECBINFHSA-N -1 1 361.391 -0.545 20 0 FBADMM Cc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC000737489845 598424658 /nfs/dbraw/zinc/42/46/58/598424658.db2.gz MZXMZCXYUYLDJY-VIFPVBQESA-N -1 1 361.391 -0.545 20 0 FBADMM Cc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC000737489845 598424656 /nfs/dbraw/zinc/42/46/56/598424656.db2.gz MZXMZCXYUYLDJY-VIFPVBQESA-N -1 1 361.391 -0.545 20 0 FBADMM Cc1ncc2c(n1)CCC[C@H]2Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000737497368 599170989 /nfs/dbraw/zinc/17/09/89/599170989.db2.gz AVVVVCXHHQEMSE-LLVKDONJSA-N -1 1 369.389 -0.148 20 0 FBADMM Cc1ncc2c(n1)CCC[C@@H]2Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000737497369 599170633 /nfs/dbraw/zinc/17/06/33/599170633.db2.gz AVVVVCXHHQEMSE-NSHDSACASA-N -1 1 369.389 -0.148 20 0 FBADMM Cc1nccn1[C@@H]1CCCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000737499821 598339992 /nfs/dbraw/zinc/33/99/92/598339992.db2.gz LDQZYZNIYKWUBU-LLVKDONJSA-N -1 1 371.405 -0.389 20 0 FBADMM Cc1nccn1[C@H]1CCCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000737499823 598339910 /nfs/dbraw/zinc/33/99/10/598339910.db2.gz LDQZYZNIYKWUBU-NSHDSACASA-N -1 1 371.405 -0.389 20 0 FBADMM CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000737520042 600467710 /nfs/dbraw/zinc/46/77/10/600467710.db2.gz JOKPCFGSYLZMKN-CYBMUJFWSA-N -1 1 362.386 -0.350 20 0 FBADMM CN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000737520043 600467847 /nfs/dbraw/zinc/46/78/47/600467847.db2.gz JOKPCFGSYLZMKN-ZDUSSCGKSA-N -1 1 362.386 -0.350 20 0 FBADMM CN1CCN(C[C@H]2CN(C(=O)N[C@@H]3CCCN(C(=O)[O-])C3)CCO2)CC1 ZINC000737525154 603304979 /nfs/dbraw/zinc/30/49/79/603304979.db2.gz BIQIYNKFZKMHPZ-CABCVRRESA-N -1 1 369.466 -0.213 20 0 FBADMM CN1CCN(C[C@H]2CN(C(=O)N[C@H]3CCCN(C(=O)[O-])C3)CCO2)CC1 ZINC000737525155 603304873 /nfs/dbraw/zinc/30/48/73/603304873.db2.gz BIQIYNKFZKMHPZ-GJZGRUSLSA-N -1 1 369.466 -0.213 20 0 FBADMM CN1CCN(C[C@@H]2CN(C(=O)N[C@@H]3CCCN(C(=O)[O-])C3)CCO2)CC1 ZINC000737525156 603305193 /nfs/dbraw/zinc/30/51/93/603305193.db2.gz BIQIYNKFZKMHPZ-HUUCEWRRSA-N -1 1 369.466 -0.213 20 0 FBADMM CN1CCN(C[C@@H]2CN(C(=O)N[C@H]3CCCN(C(=O)[O-])C3)CCO2)CC1 ZINC000737525157 603305042 /nfs/dbraw/zinc/30/50/42/603305042.db2.gz BIQIYNKFZKMHPZ-LSDHHAIUSA-N -1 1 369.466 -0.213 20 0 FBADMM CN1CCN(C)[C@H](CNC(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC000737525214 600419722 /nfs/dbraw/zinc/41/97/22/600419722.db2.gz CTKSIQCSNQOCHC-LLVKDONJSA-N -1 1 352.366 -0.176 20 0 FBADMM CN1CCN(C)[C@@H](CNC(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC000737525215 600419620 /nfs/dbraw/zinc/41/96/20/600419620.db2.gz CTKSIQCSNQOCHC-NSHDSACASA-N -1 1 352.366 -0.176 20 0 FBADMM CN1CCN(C[C@@H]2CN(S(=O)(=O)c3ccc(C(=O)[O-])o3)CCO2)CC1 ZINC000737525973 600348253 /nfs/dbraw/zinc/34/82/53/600348253.db2.gz JGRAXXTVCOYWLS-GFCCVEGCSA-N -1 1 373.431 -0.385 20 0 FBADMM CN1CCN(C[C@H]2CN(S(=O)(=O)c3ccc(C(=O)[O-])o3)CCO2)CC1 ZINC000737525974 600348190 /nfs/dbraw/zinc/34/81/90/600348190.db2.gz JGRAXXTVCOYWLS-LBPRGKRZSA-N -1 1 373.431 -0.385 20 0 FBADMM CN1CCN(C)[C@@H](CNC(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000737525991 600175492 /nfs/dbraw/zinc/17/54/92/600175492.db2.gz KIWJXCBCHMRKKV-AWEZNQCLSA-N -1 1 363.418 -0.132 20 0 FBADMM CN1CCN(C)[C@H](CNC(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000737525992 600175466 /nfs/dbraw/zinc/17/54/66/600175466.db2.gz KIWJXCBCHMRKKV-CQSZACIVSA-N -1 1 363.418 -0.132 20 0 FBADMM CN1CCN(C[C@H]2CN(C(=O)NC3CCN(C(=O)[O-])CC3)CCO2)CC1 ZINC000737526482 602616818 /nfs/dbraw/zinc/61/68/18/602616818.db2.gz QFIHWKZKMISWOL-HNNXBMFYSA-N -1 1 369.466 -0.213 20 0 FBADMM CN1CCN(C[C@@H]2CN(C(=O)NC3CCN(C(=O)[O-])CC3)CCO2)CC1 ZINC000737526483 602616709 /nfs/dbraw/zinc/61/67/09/602616709.db2.gz QFIHWKZKMISWOL-OAHLLOKOSA-N -1 1 369.466 -0.213 20 0 FBADMM CN1CCN(C)[C@H](CNC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000737526527 600323149 /nfs/dbraw/zinc/32/31/49/600323149.db2.gz RZNNNZCSOLWSCV-LLVKDONJSA-N -1 1 352.366 -0.176 20 0 FBADMM CN1CCN(C)[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000737526528 600323406 /nfs/dbraw/zinc/32/34/06/600323406.db2.gz RZNNNZCSOLWSCV-NSHDSACASA-N -1 1 352.366 -0.176 20 0 FBADMM CN1CCN(C)[C@H](CNC(=O)C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000737526609 600419529 /nfs/dbraw/zinc/41/95/29/600419529.db2.gz VHBIZENLLNVCMW-SECBINFHSA-N -1 1 370.356 -0.037 20 0 FBADMM CN1CCN(C)[C@@H](CNC(=O)C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000737526612 600419650 /nfs/dbraw/zinc/41/96/50/600419650.db2.gz VHBIZENLLNVCMW-VIFPVBQESA-N -1 1 370.356 -0.037 20 0 FBADMM CN(CCCN1CCN(C)CC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000737526619 600721791 /nfs/dbraw/zinc/72/17/91/600721791.db2.gz VLDNJOMYYJRZJD-UHFFFAOYSA-N -1 1 362.496 -0.403 20 0 FBADMM CN1CCN(C)[C@H](CNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000737526875 600323423 /nfs/dbraw/zinc/32/34/23/600323423.db2.gz YGJUMYQIGUCENH-LLVKDONJSA-N -1 1 352.366 -0.176 20 0 FBADMM CN1CCN(C)[C@@H](CNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000737526876 600323122 /nfs/dbraw/zinc/32/31/22/600323122.db2.gz YGJUMYQIGUCENH-NSHDSACASA-N -1 1 352.366 -0.176 20 0 FBADMM CN1CCN(c2cc(C(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])ccn2)CC1 ZINC000737528273 600491168 /nfs/dbraw/zinc/49/11/68/600491168.db2.gz BRFHSMGJJDDBMT-CYBMUJFWSA-N -1 1 361.402 -0.751 20 0 FBADMM CN1CCN(c2cc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])ccn2)CC1 ZINC000737528274 600491282 /nfs/dbraw/zinc/49/12/82/600491282.db2.gz BRFHSMGJJDDBMT-ZDUSSCGKSA-N -1 1 361.402 -0.751 20 0 FBADMM CN1CCN(c2cc(CNC(=O)N3CCO[C@H](C(=O)[O-])C3)ccn2)CC1 ZINC000737528575 600034592 /nfs/dbraw/zinc/03/45/92/600034592.db2.gz JDHMCMZHRWJSLG-AWEZNQCLSA-N -1 1 363.418 -0.172 20 0 FBADMM CN1CCN(c2cc(CNC(=O)N3CCO[C@@H](C(=O)[O-])C3)ccn2)CC1 ZINC000737528576 600034692 /nfs/dbraw/zinc/03/46/92/600034692.db2.gz JDHMCMZHRWJSLG-CQSZACIVSA-N -1 1 363.418 -0.172 20 0 FBADMM CN1CCN(c2ncccc2CNC(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000737529475 600038372 /nfs/dbraw/zinc/03/83/72/600038372.db2.gz JYWDSTHSZHZLLF-AWEZNQCLSA-N -1 1 363.418 -0.172 20 0 FBADMM CN1CCN(c2ncccc2CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000737529479 600038362 /nfs/dbraw/zinc/03/83/62/600038362.db2.gz JYWDSTHSZHZLLF-CQSZACIVSA-N -1 1 363.418 -0.172 20 0 FBADMM CN1CCN(c2ccc(CNC(=O)N3CCO[C@H](C(=O)[O-])C3)cn2)CC1 ZINC000737530317 597415395 /nfs/dbraw/zinc/41/53/95/597415395.db2.gz SZIHLLPGVKCIKH-AWEZNQCLSA-N -1 1 363.418 -0.172 20 0 FBADMM CN1CCN(c2ccc(CNC(=O)N3CCO[C@@H](C(=O)[O-])C3)cn2)CC1 ZINC000737530318 597415378 /nfs/dbraw/zinc/41/53/78/597415378.db2.gz SZIHLLPGVKCIKH-CQSZACIVSA-N -1 1 363.418 -0.172 20 0 FBADMM Cc1noc(CCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000737533524 598464602 /nfs/dbraw/zinc/46/46/02/598464602.db2.gz CAHCSVBEYJRVKQ-UHFFFAOYSA-N -1 1 350.364 -0.136 20 0 FBADMM Cc1noc(CCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000737533524 598464601 /nfs/dbraw/zinc/46/46/01/598464601.db2.gz CAHCSVBEYJRVKQ-UHFFFAOYSA-N -1 1 350.364 -0.136 20 0 FBADMM Cc1noc(C)c1C[C@@H](C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000737538431 599531232 /nfs/dbraw/zinc/53/12/32/599531232.db2.gz OSDCVVITYLJDAN-SSDOTTSWSA-N -1 1 360.378 -0.088 20 0 FBADMM Cc1noc(C)c1C[C@H](C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000737538434 599530970 /nfs/dbraw/zinc/53/09/70/599530970.db2.gz OSDCVVITYLJDAN-ZETCQYMHSA-N -1 1 360.378 -0.088 20 0 FBADMM Cc1oc(NC(=O)CN(C)CCS(C)(=O)=O)c(-c2nn[n-]n2)c1C ZINC000737550816 598553436 /nfs/dbraw/zinc/55/34/36/598553436.db2.gz CNOHJABLKVQJTA-UHFFFAOYSA-N -1 1 356.408 -0.009 20 0 FBADMM Cc1oc(NC(=O)CN2CCS(=O)(=O)CC2)c(-c2nn[n-]n2)c1C ZINC000737551046 598509928 /nfs/dbraw/zinc/50/99/28/598509928.db2.gz CUBPKXPOKKKNIV-UHFFFAOYSA-N -1 1 354.392 -0.255 20 0 FBADMM Cc1oc(NC(=O)CN2CC[C@@]3(C2)NC(=O)NC3=O)c(-c2nn[n-]n2)c1C ZINC000737551484 599290080 /nfs/dbraw/zinc/29/00/80/599290080.db2.gz HQVIJQBLDLOJPT-HNNXBMFYSA-N -1 1 374.361 -0.701 20 0 FBADMM Cc1oc(NC(=O)CN2CC[C@]3(C2)NC(=O)NC3=O)c(-c2nn[n-]n2)c1C ZINC000737551485 599289788 /nfs/dbraw/zinc/28/97/88/599289788.db2.gz HQVIJQBLDLOJPT-OAHLLOKOSA-N -1 1 374.361 -0.701 20 0 FBADMM Cc1oc(NC(=O)CN2CCN(CC(N)=O)CC2)c(-c2nn[n-]n2)c1C ZINC000737553356 598470778 /nfs/dbraw/zinc/47/07/78/598470778.db2.gz UOQNIABHNFUHRI-UHFFFAOYSA-N -1 1 362.394 -0.882 20 0 FBADMM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000737568614 600490225 /nfs/dbraw/zinc/49/02/25/600490225.db2.gz WAJYKZFWZPTNLG-LLVKDONJSA-N -1 1 362.342 -0.185 20 0 FBADMM COC(=O)[C@H](CC(=O)[O-])NC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000737568616 600490276 /nfs/dbraw/zinc/49/02/76/600490276.db2.gz WAJYKZFWZPTNLG-NSHDSACASA-N -1 1 362.342 -0.185 20 0 FBADMM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000737575770 600490318 /nfs/dbraw/zinc/49/03/18/600490318.db2.gz QFZPTFBNRJWBMJ-GFCCVEGCSA-N -1 1 350.375 -0.421 20 0 FBADMM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000737575773 600490306 /nfs/dbraw/zinc/49/03/06/600490306.db2.gz QFZPTFBNRJWBMJ-LBPRGKRZSA-N -1 1 350.375 -0.421 20 0 FBADMM COC(=O)[C@H]1CCCN1CCS(=O)(=O)CCN1CCC[C@@H]1C(=O)[O-] ZINC000737586188 600392156 /nfs/dbraw/zinc/39/21/56/600392156.db2.gz VNESOMXGVPSCGG-CHWSQXEVSA-N -1 1 362.448 -0.412 20 0 FBADMM COC(=O)[C@@H]1CCCN1CCS(=O)(=O)CCN1CCC[C@@H]1C(=O)[O-] ZINC000737586189 600392180 /nfs/dbraw/zinc/39/21/80/600392180.db2.gz VNESOMXGVPSCGG-OLZOCXBDSA-N -1 1 362.448 -0.412 20 0 FBADMM COC(=O)[C@H]1CCCN1CCS(=O)(=O)CCN1CCC[C@H]1C(=O)[O-] ZINC000737586190 600391911 /nfs/dbraw/zinc/39/19/11/600391911.db2.gz VNESOMXGVPSCGG-QWHCGFSZSA-N -1 1 362.448 -0.412 20 0 FBADMM COC(=O)[C@@H]1CCCN1CCS(=O)(=O)CCN1CCC[C@H]1C(=O)[O-] ZINC000737586191 600391683 /nfs/dbraw/zinc/39/16/83/600391683.db2.gz VNESOMXGVPSCGG-STQMWFEESA-N -1 1 362.448 -0.412 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC(Oc3ccccc3)C2)n(C)c1=O ZINC000737590364 598507302 /nfs/dbraw/zinc/50/73/02/598507302.db2.gz IISIPTNLXIKNLP-UHFFFAOYSA-N -1 1 355.358 -0.468 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N(Cc2ccccn2)C2CC2)n(C)c1=O ZINC000737591531 598814837 /nfs/dbraw/zinc/81/48/37/598814837.db2.gz LGNZDOVVNYQVRH-UHFFFAOYSA-N -1 1 354.374 -0.172 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(C[C@@H](O)COCc2ccccc2)c1=O ZINC000737591584 598919039 /nfs/dbraw/zinc/91/90/39/598919039.db2.gz HMBHHNUENPHUCM-GFCCVEGCSA-N -1 1 358.358 -0.695 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(Cc3ncc[nH]3)CC2)n(C)c1=O ZINC000737592517 598337865 /nfs/dbraw/zinc/33/78/65/598337865.db2.gz PLEHBDAHDPLDQA-UHFFFAOYSA-N -1 1 371.405 -0.554 20 0 FBADMM COC(=O)C[C@@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)C(=O)[O-] ZINC000737593500 600490289 /nfs/dbraw/zinc/49/02/89/600490289.db2.gz UGMYPAQUWCCVNO-GFCCVEGCSA-N -1 1 350.375 -0.421 20 0 FBADMM COC(=O)C[C@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)C(=O)[O-] ZINC000737593502 600490250 /nfs/dbraw/zinc/49/02/50/600490250.db2.gz UGMYPAQUWCCVNO-LBPRGKRZSA-N -1 1 350.375 -0.421 20 0 FBADMM Cn1c(Cl)cnc1CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000737594092 598353654 /nfs/dbraw/zinc/35/36/54/598353654.db2.gz VZFJVSCGKGZYFC-UHFFFAOYSA-N -1 1 351.758 -0.737 20 0 FBADMM Cn1c(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cc(=O)n(C)c1=O ZINC000737594258 598504196 /nfs/dbraw/zinc/50/41/96/598504196.db2.gz XNSVTJQIEXCKIG-UHFFFAOYSA-N -1 1 365.353 -0.373 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(Cn3cccn3)CC2)n(C)c1=O ZINC000737594315 598338204 /nfs/dbraw/zinc/33/82/04/598338204.db2.gz XYIAGXQYHQDEAW-UHFFFAOYSA-N -1 1 371.405 -0.623 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N(Cc2cccnc2)C2CC2)n(C)c1=O ZINC000737594373 598815496 /nfs/dbraw/zinc/81/54/96/598815496.db2.gz YRZZXHHBNOEXRH-UHFFFAOYSA-N -1 1 354.374 -0.172 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCCOC[C@@H]2CCOC2)n(C)c1=O ZINC000737594813 598974088 /nfs/dbraw/zinc/97/40/88/598974088.db2.gz ATZJQLHVEKLAQW-JTQLQIEISA-N -1 1 365.394 -0.881 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCCOC[C@H]2CCOC2)n(C)c1=O ZINC000737594814 598974030 /nfs/dbraw/zinc/97/40/30/598974030.db2.gz ATZJQLHVEKLAQW-SNVBAGLBSA-N -1 1 365.394 -0.881 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](CCO)c2ccccc2)n(C)c1=O ZINC000737594887 598978346 /nfs/dbraw/zinc/97/83/46/598978346.db2.gz DDXGGEPWNVJSFL-LLVKDONJSA-N -1 1 357.374 -0.200 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2cnn(CC(F)(F)F)c2)n(C)c1=O ZINC000737595065 599304017 /nfs/dbraw/zinc/30/40/17/599304017.db2.gz DZERBJBTWTWWQM-UHFFFAOYSA-N -1 1 371.283 -0.234 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](CO)c2ccc(F)cc2)n(C)c1=O ZINC000737595087 599172017 /nfs/dbraw/zinc/17/20/17/599172017.db2.gz FPWUBJFMBNBHTN-JTQLQIEISA-N -1 1 361.337 -0.451 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](CO)c2ccc(F)cc2)n(C)c1=O ZINC000737595088 599171461 /nfs/dbraw/zinc/17/14/61/599171461.db2.gz FPWUBJFMBNBHTN-SNVBAGLBSA-N -1 1 361.337 -0.451 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2ccc(OCCO)cc2)n(C)c1=O ZINC000737595134 598787789 /nfs/dbraw/zinc/78/77/89/598787789.db2.gz HFUZYQYKHQIKNX-UHFFFAOYSA-N -1 1 359.346 -0.621 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2c3ccccc3C[C@H]2O)n(C)c1=O ZINC000737595135 598373051 /nfs/dbraw/zinc/37/30/51/598373051.db2.gz HHZIHELBZXHGGC-PWSUYJOCSA-N -1 1 355.358 -0.666 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCN(c3ccccc3)C2)n(C)c1=O ZINC000737595137 598388258 /nfs/dbraw/zinc/38/82/58/598388258.db2.gz HJIPBLVNIKYIGA-LLVKDONJSA-N -1 1 368.401 -0.045 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCN(c3ccccc3)C2)n(C)c1=O ZINC000737595138 598388211 /nfs/dbraw/zinc/38/82/11/598388211.db2.gz HJIPBLVNIKYIGA-NSHDSACASA-N -1 1 368.401 -0.045 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCc3ccc(O)cc3CC2)n(C)c1=O ZINC000737595144 598374587 /nfs/dbraw/zinc/37/45/87/598374587.db2.gz HPCCIMNZBJVRTP-UHFFFAOYSA-N -1 1 369.385 -0.425 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H](CCO)c2ccccc2)n(C)c1=O ZINC000737595156 598973984 /nfs/dbraw/zinc/97/39/84/598973984.db2.gz HQRAYXBPQCRLLE-GFCCVEGCSA-N -1 1 371.401 -0.158 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H](CCO)c2ccccc2)n(C)c1=O ZINC000737595158 598974172 /nfs/dbraw/zinc/97/41/72/598974172.db2.gz HQRAYXBPQCRLLE-LBPRGKRZSA-N -1 1 371.401 -0.158 20 0 FBADMM Cn1c2ccc(Nc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)cc2oc1=O ZINC000737595607 598602524 /nfs/dbraw/zinc/60/25/24/598602524.db2.gz IYCAMRRPGVGFPA-UHFFFAOYSA-N -1 1 370.329 -0.547 20 0 FBADMM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC[C@@H](c3ncc[nH]3)C2)n(C)c1=O ZINC000737595760 598523138 /nfs/dbraw/zinc/52/31/38/598523138.db2.gz LAUAQEVGJCTRNN-SECBINFHSA-N -1 1 357.378 -0.629 20 0 FBADMM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC[C@H](c3ncc[nH]3)C2)n(C)c1=O ZINC000737595765 598523620 /nfs/dbraw/zinc/52/36/20/598523620.db2.gz LAUAQEVGJCTRNN-VIFPVBQESA-N -1 1 357.378 -0.629 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H]2Cn2cccn2)n(C)c1=O ZINC000737595836 598338455 /nfs/dbraw/zinc/33/84/55/598338455.db2.gz LSAVGBKTPIXTPW-JTQLQIEISA-N -1 1 357.378 -0.870 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H]2Cn2cccn2)n(C)c1=O ZINC000737595841 598337964 /nfs/dbraw/zinc/33/79/64/598337964.db2.gz LSAVGBKTPIXTPW-SNVBAGLBSA-N -1 1 357.378 -0.870 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2ccc3c(c2)CCO3)n(C)c1=O ZINC000737596337 598248653 /nfs/dbraw/zinc/24/86/53/598248653.db2.gz MJLJKMWTGXCORP-UHFFFAOYSA-N -1 1 355.358 -0.189 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2cccc3c2OCCO3)n(C)c1=O ZINC000737596347 598567483 /nfs/dbraw/zinc/56/74/83/598567483.db2.gz MOHDLJUWCDRHPH-UHFFFAOYSA-N -1 1 371.357 -0.353 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC[S@](=O)C(C)(C)C)n(C)c1=O ZINC000737596370 599206657 /nfs/dbraw/zinc/20/66/57/599206657.db2.gz MQOOSEIKDAFMDZ-DEOSSOPVSA-N -1 1 355.424 -0.777 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC[S@@](=O)C(C)(C)C)n(C)c1=O ZINC000737596372 599206237 /nfs/dbraw/zinc/20/62/37/599206237.db2.gz MQOOSEIKDAFMDZ-XMMPIXPASA-N -1 1 355.424 -0.777 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H](n3ccnc3)C2)n(C)c1=O ZINC000737596401 598673341 /nfs/dbraw/zinc/67/33/41/598673341.db2.gz NCZBOFAVRCDYDR-JTQLQIEISA-N -1 1 357.378 -0.698 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H](n3ccnc3)C2)n(C)c1=O ZINC000737596402 598673380 /nfs/dbraw/zinc/67/33/80/598673380.db2.gz NCZBOFAVRCDYDR-SNVBAGLBSA-N -1 1 357.378 -0.698 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(Oc2ccc(-n3cncn3)cc2)n(C)c1=O ZINC000737596409 599527438 /nfs/dbraw/zinc/52/74/38/599527438.db2.gz NGRSLARARMJMQO-UHFFFAOYSA-N -1 1 367.329 -0.363 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC2(O)Cc3ccccc3C2)n(C)c1=O ZINC000737596429 599535284 /nfs/dbraw/zinc/53/52/84/599535284.db2.gz NRNCLHDAPUJPHI-UHFFFAOYSA-N -1 1 369.385 -0.794 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCc3ccccc3CC2)n(C)c1=O ZINC000737596485 599171567 /nfs/dbraw/zinc/17/15/67/599171567.db2.gz ODMBFSDNHPUKCX-UHFFFAOYSA-N -1 1 353.386 -0.131 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCCCNc2ccccn2)n(C)c1=O ZINC000737596898 598374137 /nfs/dbraw/zinc/37/41/37/598374137.db2.gz OGOUKAHXTOQUEF-UHFFFAOYSA-N -1 1 371.405 -0.037 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@H](Nc3ccccc3)C2)n(C)c1=O ZINC000737596951 598374709 /nfs/dbraw/zinc/37/47/09/598374709.db2.gz OYMZXQKDMPBUPT-GFCCVEGCSA-N -1 1 368.401 -0.045 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@H](Nc3ccccc3)C2)n(C)c1=O ZINC000737596955 598374699 /nfs/dbraw/zinc/37/46/99/598374699.db2.gz OYMZXQKDMPBUPT-LBPRGKRZSA-N -1 1 368.401 -0.045 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2cn3c(n2)CCCC3)n(C)c1=O ZINC000737597172 598395353 /nfs/dbraw/zinc/39/53/53/598395353.db2.gz QWTXMFFEBLFNPG-UHFFFAOYSA-N -1 1 357.378 -0.591 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCc2ccc3c(c2)CCO3)n(C)c1=O ZINC000737597187 598914864 /nfs/dbraw/zinc/91/48/64/598914864.db2.gz RHCPLKFUDDETOL-UHFFFAOYSA-N -1 1 369.385 -0.146 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@](C)(O)c2ccccc2)n(C)c1=O ZINC000737597541 598914765 /nfs/dbraw/zinc/91/47/65/598914765.db2.gz RWOSMXRIGTZHHP-INIZCTEOSA-N -1 1 357.374 -0.416 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@](C)(O)c2ccccc2)n(C)c1=O ZINC000737597549 598914950 /nfs/dbraw/zinc/91/49/50/598914950.db2.gz RWOSMXRIGTZHHP-MRXNPFEDSA-N -1 1 357.374 -0.416 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2cnn(CC(F)F)c2)n(C)c1=O ZINC000737597592 599206698 /nfs/dbraw/zinc/20/66/98/599206698.db2.gz SOKUHIWGZFGRCJ-UHFFFAOYSA-N -1 1 353.293 -0.531 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCCN2CCCCC2=O)n(C)c1=O ZINC000737597603 598386691 /nfs/dbraw/zinc/38/66/91/598386691.db2.gz SUJHLIWBCCWWBD-UHFFFAOYSA-N -1 1 362.394 -0.921 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(Oc2cccc(-n3cncn3)c2)n(C)c1=O ZINC000737597617 599472895 /nfs/dbraw/zinc/47/28/95/599472895.db2.gz SXFIYQAFDBLPRO-UHFFFAOYSA-N -1 1 367.329 -0.363 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@H](C(F)(F)F)C2)n(C)c1=O ZINC000737597653 598855986 /nfs/dbraw/zinc/85/59/86/598855986.db2.gz UANVKABSPZPKEB-LURJTMIESA-N -1 1 361.284 -0.968 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@@H](C(F)(F)F)C2)n(C)c1=O ZINC000737597656 598856072 /nfs/dbraw/zinc/85/60/72/598856072.db2.gz UANVKABSPZPKEB-ZCFIWIBFSA-N -1 1 361.284 -0.968 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2cc3c([nH]c2=O)CCC3)n(C)c1=O ZINC000737597668 598817570 /nfs/dbraw/zinc/81/75/70/598817570.db2.gz UDXCDJDLDGQMBD-UHFFFAOYSA-N -1 1 370.373 -0.535 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H](O)Cc2ccccc2)n(C)c1=O ZINC000737597747 598798053 /nfs/dbraw/zinc/79/80/53/598798053.db2.gz UNLWXBOGVWNAOF-LLVKDONJSA-N -1 1 357.374 -0.720 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H](O)Cc2ccccc2)n(C)c1=O ZINC000737597750 598798073 /nfs/dbraw/zinc/79/80/73/598798073.db2.gz UNLWXBOGVWNAOF-NSHDSACASA-N -1 1 357.374 -0.720 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2ccc3c(c2)CC(=O)N3)n(C)c1=O ZINC000737597777 598870492 /nfs/dbraw/zinc/87/04/92/598870492.db2.gz URPDDZABQVKEIP-UHFFFAOYSA-N -1 1 354.330 -0.498 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@](C)(O)c2cccs2)n(C)c1=O ZINC000737597810 598857185 /nfs/dbraw/zinc/85/71/85/598857185.db2.gz VCHDHESODYIWSK-AWEZNQCLSA-N -1 1 363.403 -0.355 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@](C)(O)c2cccs2)n(C)c1=O ZINC000737597811 598859102 /nfs/dbraw/zinc/85/91/02/598859102.db2.gz VCHDHESODYIWSK-CQSZACIVSA-N -1 1 363.403 -0.355 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@](C)(O)c2ccsc2)n(C)c1=O ZINC000737597817 598977111 /nfs/dbraw/zinc/97/71/11/598977111.db2.gz VKDBXBIPIGDGIZ-AWEZNQCLSA-N -1 1 363.403 -0.355 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@](C)(O)c2ccsc2)n(C)c1=O ZINC000737597818 598976995 /nfs/dbraw/zinc/97/69/95/598976995.db2.gz VKDBXBIPIGDGIZ-CQSZACIVSA-N -1 1 363.403 -0.355 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](CCO)c2cccs2)n(C)c1=O ZINC000737598015 598976744 /nfs/dbraw/zinc/97/67/44/598976744.db2.gz WBWXWXIXLOJXTN-MRVPVSSYSA-N -1 1 363.403 -0.139 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](CCO)c2cccs2)n(C)c1=O ZINC000737598017 598977081 /nfs/dbraw/zinc/97/70/81/598977081.db2.gz WBWXWXIXLOJXTN-QMMMGPOBSA-N -1 1 363.403 -0.139 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2cnn(-c3ccccn3)c2)n(C)c1=O ZINC000737598069 598856960 /nfs/dbraw/zinc/85/69/60/598856960.db2.gz XLKSPOLNNPZSJV-UHFFFAOYSA-N -1 1 366.345 -0.412 20 0 FBADMM Cn1c(NCCc2cccc(C(N)=O)c2)c(-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000737598075 598355045 /nfs/dbraw/zinc/35/50/45/598355045.db2.gz YAZMGXMQXRYCPR-UHFFFAOYSA-N -1 1 370.373 -0.982 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](CO)c2cccc(F)c2)n(C)c1=O ZINC000737598091 599170299 /nfs/dbraw/zinc/17/02/99/599170299.db2.gz YOTXUGJDFOBGHH-JTQLQIEISA-N -1 1 361.337 -0.451 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](CO)c2cccc(F)c2)n(C)c1=O ZINC000737598093 599169728 /nfs/dbraw/zinc/16/97/28/599169728.db2.gz YOTXUGJDFOBGHH-SNVBAGLBSA-N -1 1 361.337 -0.451 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](CO)Cc2ccccc2)n(C)c1=O ZINC000737598123 598809949 /nfs/dbraw/zinc/80/99/49/598809949.db2.gz ZCKVQNCJOWCPMW-LLVKDONJSA-N -1 1 357.374 -0.720 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](CO)Cc2ccccc2)n(C)c1=O ZINC000737598125 598810207 /nfs/dbraw/zinc/81/02/07/598810207.db2.gz ZCKVQNCJOWCPMW-NSHDSACASA-N -1 1 357.374 -0.720 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H]2OCCc3ccccc32)n(C)c1=O ZINC000737598137 598817884 /nfs/dbraw/zinc/81/78/84/598817884.db2.gz ZFPUEBHTKHTNDE-GFCCVEGCSA-N -1 1 369.385 -0.010 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H]2OCCc3ccccc32)n(C)c1=O ZINC000737598140 598817721 /nfs/dbraw/zinc/81/77/21/598817721.db2.gz ZFPUEBHTKHTNDE-LBPRGKRZSA-N -1 1 369.385 -0.010 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCC(=O)Nc2ccccc2)n(C)c1=O ZINC000737598173 598830471 /nfs/dbraw/zinc/83/04/71/598830471.db2.gz ZTPFWQJKKAGKEH-UHFFFAOYSA-N -1 1 370.373 -0.295 20 0 FBADMM COC(=O)C[C@@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc21)C(=O)[O-] ZINC000737600263 600490303 /nfs/dbraw/zinc/49/03/03/600490303.db2.gz ZRKHOPWKGZRTTE-LLVKDONJSA-N -1 1 362.342 -0.185 20 0 FBADMM COC(=O)C[C@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc21)C(=O)[O-] ZINC000737600265 600490212 /nfs/dbraw/zinc/49/02/12/600490212.db2.gz ZRKHOPWKGZRTTE-NSHDSACASA-N -1 1 362.342 -0.185 20 0 FBADMM COC(=O)CN(CC(=O)[O-])C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000737602438 600665833 /nfs/dbraw/zinc/66/58/33/600665833.db2.gz DVGDKNGAVCGYPR-UHFFFAOYSA-N -1 1 364.402 -0.320 20 0 FBADMM Cn1cc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cn1 ZINC000737603240 599030135 /nfs/dbraw/zinc/03/01/35/599030135.db2.gz WPKIVPSWQHEOGZ-UHFFFAOYSA-N -1 1 353.390 -0.047 20 0 FBADMM Cn1cc(CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cn1 ZINC000737603240 599030133 /nfs/dbraw/zinc/03/01/33/599030133.db2.gz WPKIVPSWQHEOGZ-UHFFFAOYSA-N -1 1 353.390 -0.047 20 0 FBADMM Cn1cc([C@@H]2CCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cn1 ZINC000737603847 598675313 /nfs/dbraw/zinc/67/53/13/598675313.db2.gz FCXYQTNUKAEFGT-JTQLQIEISA-N -1 1 357.378 -0.661 20 0 FBADMM Cn1cc([C@H]2CCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cn1 ZINC000737603848 598674997 /nfs/dbraw/zinc/67/49/97/598674997.db2.gz FCXYQTNUKAEFGT-SNVBAGLBSA-N -1 1 357.378 -0.661 20 0 FBADMM COC(=O)CN(CC(=O)[O-])C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000737605257 600492538 /nfs/dbraw/zinc/49/25/38/600492538.db2.gz WCGZEYVLRVZRNS-UHFFFAOYSA-N -1 1 362.342 -0.231 20 0 FBADMM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000737608995 599754538 /nfs/dbraw/zinc/75/45/38/599754538.db2.gz RQWBPYCGDNMJKL-UHFFFAOYSA-N -1 1 365.367 -0.078 20 0 FBADMM Cn1cc(N2CC[C@@H](OC(=O)c3ccc(-c4nn[n-]n4)nc3)C2=O)cn1 ZINC000737609356 599134724 /nfs/dbraw/zinc/13/47/24/599134724.db2.gz FJFKBQCNSASFOO-GFCCVEGCSA-N -1 1 354.330 -0.043 20 0 FBADMM Cn1cc(N2CC[C@@H](OC(=O)c3ccc(-c4nnn[n-]4)nc3)C2=O)cn1 ZINC000737609356 599134722 /nfs/dbraw/zinc/13/47/22/599134722.db2.gz FJFKBQCNSASFOO-GFCCVEGCSA-N -1 1 354.330 -0.043 20 0 FBADMM Cn1cc(N2CC[C@H](OC(=O)c3ccc(-c4nn[n-]n4)nc3)C2=O)cn1 ZINC000737609357 599135343 /nfs/dbraw/zinc/13/53/43/599135343.db2.gz FJFKBQCNSASFOO-LBPRGKRZSA-N -1 1 354.330 -0.043 20 0 FBADMM Cn1cc(N2CC[C@H](OC(=O)c3ccc(-c4nnn[n-]4)nc3)C2=O)cn1 ZINC000737609357 599135340 /nfs/dbraw/zinc/13/53/40/599135340.db2.gz FJFKBQCNSASFOO-LBPRGKRZSA-N -1 1 354.330 -0.043 20 0 FBADMM Cn1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1=O ZINC000737609408 599502471 /nfs/dbraw/zinc/50/24/71/599502471.db2.gz GRDWZQIBTYQKJA-UHFFFAOYSA-N -1 1 358.366 -0.375 20 0 FBADMM Cn1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)ccc1=O ZINC000737609408 599502468 /nfs/dbraw/zinc/50/24/68/599502468.db2.gz GRDWZQIBTYQKJA-UHFFFAOYSA-N -1 1 358.366 -0.375 20 0 FBADMM Cn1cc(N2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)nc3)C2=O)cn1 ZINC000737610867 599088011 /nfs/dbraw/zinc/08/80/11/599088011.db2.gz ROGWZNNTIPENOG-CYBMUJFWSA-N -1 1 367.373 -0.079 20 0 FBADMM Cn1cc(N2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)nc3)C2=O)cn1 ZINC000737610867 599088007 /nfs/dbraw/zinc/08/80/07/599088007.db2.gz ROGWZNNTIPENOG-CYBMUJFWSA-N -1 1 367.373 -0.079 20 0 FBADMM Cn1cc(N2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)nc3)C2=O)cn1 ZINC000737610868 599087693 /nfs/dbraw/zinc/08/76/93/599087693.db2.gz ROGWZNNTIPENOG-ZDUSSCGKSA-N -1 1 367.373 -0.079 20 0 FBADMM Cn1cc(N2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)nc3)C2=O)cn1 ZINC000737610868 599087690 /nfs/dbraw/zinc/08/76/90/599087690.db2.gz ROGWZNNTIPENOG-ZDUSSCGKSA-N -1 1 367.373 -0.079 20 0 FBADMM Cn1cc(N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)nc3)C2=O)cn1 ZINC000737612263 599260613 /nfs/dbraw/zinc/26/06/13/599260613.db2.gz XUTGHLFABNHXDJ-GFCCVEGCSA-N -1 1 353.346 -0.470 20 0 FBADMM Cn1cc(N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)nc3)C2=O)cn1 ZINC000737612263 599260610 /nfs/dbraw/zinc/26/06/10/599260610.db2.gz XUTGHLFABNHXDJ-GFCCVEGCSA-N -1 1 353.346 -0.470 20 0 FBADMM Cn1cc(N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)nc3)C2=O)cn1 ZINC000737612265 599260838 /nfs/dbraw/zinc/26/08/38/599260838.db2.gz XUTGHLFABNHXDJ-LBPRGKRZSA-N -1 1 353.346 -0.470 20 0 FBADMM Cn1cc(N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)nc3)C2=O)cn1 ZINC000737612265 599260836 /nfs/dbraw/zinc/26/08/36/599260836.db2.gz XUTGHLFABNHXDJ-LBPRGKRZSA-N -1 1 353.346 -0.470 20 0 FBADMM Cn1ccc(N2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)nc3)C2=O)n1 ZINC000737612572 599234562 /nfs/dbraw/zinc/23/45/62/599234562.db2.gz LBAGWIYTKJPDIG-GFCCVEGCSA-N -1 1 367.373 -0.079 20 0 FBADMM Cn1ccc(N2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)nc3)C2=O)n1 ZINC000737612572 599234560 /nfs/dbraw/zinc/23/45/60/599234560.db2.gz LBAGWIYTKJPDIG-GFCCVEGCSA-N -1 1 367.373 -0.079 20 0 FBADMM Cn1ccc(N2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)nc3)C2=O)n1 ZINC000737612577 599234794 /nfs/dbraw/zinc/23/47/94/599234794.db2.gz LBAGWIYTKJPDIG-LBPRGKRZSA-N -1 1 367.373 -0.079 20 0 FBADMM Cn1ccc(N2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)nc3)C2=O)n1 ZINC000737612577 599234791 /nfs/dbraw/zinc/23/47/91/599234791.db2.gz LBAGWIYTKJPDIG-LBPRGKRZSA-N -1 1 367.373 -0.079 20 0 FBADMM COC(=O)CN(CC(=O)[O-])C(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000737613137 600492615 /nfs/dbraw/zinc/49/26/15/600492615.db2.gz NHPLGNRNQLAVHB-UHFFFAOYSA-N -1 1 350.375 -0.467 20 0 FBADMM Cn1ccnc1CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737615344 599030063 /nfs/dbraw/zinc/03/00/63/599030063.db2.gz HGKXMQKWYLTJSK-UHFFFAOYSA-N -1 1 353.390 -0.047 20 0 FBADMM Cn1ccnc1CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737615344 599030061 /nfs/dbraw/zinc/03/00/61/599030061.db2.gz HGKXMQKWYLTJSK-UHFFFAOYSA-N -1 1 353.390 -0.047 20 0 FBADMM Cn1ncc2c1ncnc2N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000737626915 598340875 /nfs/dbraw/zinc/34/08/75/598340875.db2.gz FXLIDXPFAHNOSL-UHFFFAOYSA-N -1 1 364.377 -0.340 20 0 FBADMM Cn1ncc2c1ncnc2N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000737626915 598340873 /nfs/dbraw/zinc/34/08/73/598340873.db2.gz FXLIDXPFAHNOSL-UHFFFAOYSA-N -1 1 364.377 -0.340 20 0 FBADMM NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737730413 598269489 /nfs/dbraw/zinc/26/94/89/598269489.db2.gz KKYYJYBRIUHUCJ-CYBMUJFWSA-N -1 1 373.398 -0.363 20 0 FBADMM NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737730413 598269488 /nfs/dbraw/zinc/26/94/88/598269488.db2.gz KKYYJYBRIUHUCJ-CYBMUJFWSA-N -1 1 373.398 -0.363 20 0 FBADMM NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737730422 598269336 /nfs/dbraw/zinc/26/93/36/598269336.db2.gz KKYYJYBRIUHUCJ-ZDUSSCGKSA-N -1 1 373.398 -0.363 20 0 FBADMM NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737730422 598269335 /nfs/dbraw/zinc/26/93/35/598269335.db2.gz KKYYJYBRIUHUCJ-ZDUSSCGKSA-N -1 1 373.398 -0.363 20 0 FBADMM NC(=O)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000737735440 598262165 /nfs/dbraw/zinc/26/21/65/598262165.db2.gz DLJYJRPQLXYRGN-GFCCVEGCSA-N -1 1 359.371 -0.233 20 0 FBADMM NC(=O)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000737735440 598262164 /nfs/dbraw/zinc/26/21/64/598262164.db2.gz DLJYJRPQLXYRGN-GFCCVEGCSA-N -1 1 359.371 -0.233 20 0 FBADMM NC(=O)[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000737735441 598262171 /nfs/dbraw/zinc/26/21/71/598262171.db2.gz DLJYJRPQLXYRGN-LBPRGKRZSA-N -1 1 359.371 -0.233 20 0 FBADMM NC(=O)[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000737735441 598262169 /nfs/dbraw/zinc/26/21/69/598262169.db2.gz DLJYJRPQLXYRGN-LBPRGKRZSA-N -1 1 359.371 -0.233 20 0 FBADMM NC(=O)C1(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)CC1 ZINC000737737307 598589502 /nfs/dbraw/zinc/58/95/02/598589502.db2.gz BQVCRMPAQSKUAV-UHFFFAOYSA-N -1 1 372.389 -0.354 20 0 FBADMM NC(=O)C1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737738782 598835883 /nfs/dbraw/zinc/83/58/83/598835883.db2.gz LXLFGLSLHOEUCA-UHFFFAOYSA-N -1 1 351.392 -0.416 20 0 FBADMM NC(=O)C1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737738782 598835882 /nfs/dbraw/zinc/83/58/82/598835882.db2.gz LXLFGLSLHOEUCA-UHFFFAOYSA-N -1 1 351.392 -0.416 20 0 FBADMM NC(=O)C1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000737740602 599031814 /nfs/dbraw/zinc/03/18/14/599031814.db2.gz AJYLNDBSLHMHGE-UHFFFAOYSA-N -1 1 354.367 -0.108 20 0 FBADMM NC(=O)C1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000737740602 599031813 /nfs/dbraw/zinc/03/18/13/599031813.db2.gz AJYLNDBSLHMHGE-UHFFFAOYSA-N -1 1 354.367 -0.108 20 0 FBADMM NC(=O)C1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC000737741426 599085970 /nfs/dbraw/zinc/08/59/70/599085970.db2.gz XJCSWQJFBNSDDP-UHFFFAOYSA-N -1 1 351.392 -0.414 20 0 FBADMM NC(=O)C1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC000737741426 599085967 /nfs/dbraw/zinc/08/59/67/599085967.db2.gz XJCSWQJFBNSDDP-UHFFFAOYSA-N -1 1 351.392 -0.414 20 0 FBADMM NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000737741883 599334862 /nfs/dbraw/zinc/33/48/62/599334862.db2.gz DAJXFKKBARISDH-MRVPVSSYSA-N -1 1 354.367 -0.108 20 0 FBADMM NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000737741883 599334859 /nfs/dbraw/zinc/33/48/59/599334859.db2.gz DAJXFKKBARISDH-MRVPVSSYSA-N -1 1 354.367 -0.108 20 0 FBADMM NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000737741887 599334765 /nfs/dbraw/zinc/33/47/65/599334765.db2.gz DAJXFKKBARISDH-QMMMGPOBSA-N -1 1 354.367 -0.108 20 0 FBADMM NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000737741887 599334764 /nfs/dbraw/zinc/33/47/64/599334764.db2.gz DAJXFKKBARISDH-QMMMGPOBSA-N -1 1 354.367 -0.108 20 0 FBADMM NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737742749 599597645 /nfs/dbraw/zinc/59/76/45/599597645.db2.gz GSVMBNWUJLXGRU-BDAKNGLRSA-N -1 1 351.392 -0.416 20 0 FBADMM NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737742749 599597643 /nfs/dbraw/zinc/59/76/43/599597643.db2.gz GSVMBNWUJLXGRU-BDAKNGLRSA-N -1 1 351.392 -0.416 20 0 FBADMM NC(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737742750 599597483 /nfs/dbraw/zinc/59/74/83/599597483.db2.gz GSVMBNWUJLXGRU-DTWKUNHWSA-N -1 1 351.392 -0.416 20 0 FBADMM NC(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737742750 599597481 /nfs/dbraw/zinc/59/74/81/599597481.db2.gz GSVMBNWUJLXGRU-DTWKUNHWSA-N -1 1 351.392 -0.416 20 0 FBADMM NC(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737742752 599597713 /nfs/dbraw/zinc/59/77/13/599597713.db2.gz GSVMBNWUJLXGRU-IUCAKERBSA-N -1 1 351.392 -0.416 20 0 FBADMM NC(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737742752 599597711 /nfs/dbraw/zinc/59/77/11/599597711.db2.gz GSVMBNWUJLXGRU-IUCAKERBSA-N -1 1 351.392 -0.416 20 0 FBADMM NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737742754 599597764 /nfs/dbraw/zinc/59/77/64/599597764.db2.gz GSVMBNWUJLXGRU-RKDXNWHRSA-N -1 1 351.392 -0.416 20 0 FBADMM NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737742754 599597762 /nfs/dbraw/zinc/59/77/62/599597762.db2.gz GSVMBNWUJLXGRU-RKDXNWHRSA-N -1 1 351.392 -0.416 20 0 FBADMM NC(=O)[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCO1 ZINC000737743757 598874785 /nfs/dbraw/zinc/87/47/85/598874785.db2.gz JPQDUZUQADWTQZ-MRVPVSSYSA-N -1 1 372.794 -0.605 20 0 FBADMM NC(=O)[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCO1 ZINC000737743757 598874784 /nfs/dbraw/zinc/87/47/84/598874784.db2.gz JPQDUZUQADWTQZ-MRVPVSSYSA-N -1 1 372.794 -0.605 20 0 FBADMM NC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCO1 ZINC000737743760 598874639 /nfs/dbraw/zinc/87/46/39/598874639.db2.gz JPQDUZUQADWTQZ-QMMMGPOBSA-N -1 1 372.794 -0.605 20 0 FBADMM NC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCO1 ZINC000737743760 598874637 /nfs/dbraw/zinc/87/46/37/598874637.db2.gz JPQDUZUQADWTQZ-QMMMGPOBSA-N -1 1 372.794 -0.605 20 0 FBADMM NC(=O)CC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737744804 598266303 /nfs/dbraw/zinc/26/63/03/598266303.db2.gz BFGIPLBLGROINC-UHFFFAOYSA-N -1 1 351.392 -0.462 20 0 FBADMM NC(=O)CC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737744804 598266301 /nfs/dbraw/zinc/26/63/01/598266301.db2.gz BFGIPLBLGROINC-UHFFFAOYSA-N -1 1 351.392 -0.462 20 0 FBADMM NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000737746256 598686926 /nfs/dbraw/zinc/68/69/26/598686926.db2.gz QNBBOULZPNSARC-UHFFFAOYSA-N -1 1 354.367 -0.108 20 0 FBADMM NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737746925 598687042 /nfs/dbraw/zinc/68/70/42/598687042.db2.gz UMGDDHYNJBVDSH-MRVPVSSYSA-N -1 1 354.367 -0.108 20 0 FBADMM NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737746926 598686998 /nfs/dbraw/zinc/68/69/98/598686998.db2.gz UMGDDHYNJBVDSH-QMMMGPOBSA-N -1 1 354.367 -0.108 20 0 FBADMM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737747046 599143710 /nfs/dbraw/zinc/14/37/10/599143710.db2.gz VSCRONMZHIVOAD-LLVKDONJSA-N -1 1 359.346 -0.715 20 0 FBADMM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737747046 599143706 /nfs/dbraw/zinc/14/37/06/599143706.db2.gz VSCRONMZHIVOAD-LLVKDONJSA-N -1 1 359.346 -0.715 20 0 FBADMM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737747049 599143267 /nfs/dbraw/zinc/14/32/67/599143267.db2.gz VSCRONMZHIVOAD-NSHDSACASA-N -1 1 359.346 -0.715 20 0 FBADMM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737747049 599143265 /nfs/dbraw/zinc/14/32/65/599143265.db2.gz VSCRONMZHIVOAD-NSHDSACASA-N -1 1 359.346 -0.715 20 0 FBADMM NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737747346 598776865 /nfs/dbraw/zinc/77/68/65/598776865.db2.gz LWWNSORITBKORM-UHFFFAOYSA-N -1 1 373.398 -0.062 20 0 FBADMM NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737747346 598776863 /nfs/dbraw/zinc/77/68/63/598776863.db2.gz LWWNSORITBKORM-UHFFFAOYSA-N -1 1 373.398 -0.062 20 0 FBADMM NC(=O)CN(C1CCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737747358 598266383 /nfs/dbraw/zinc/26/63/83/598266383.db2.gz LZEAQSUMCXDBGO-UHFFFAOYSA-N -1 1 351.392 -0.320 20 0 FBADMM NC(=O)CN(C1CCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737747358 598266381 /nfs/dbraw/zinc/26/63/81/598266381.db2.gz LZEAQSUMCXDBGO-UHFFFAOYSA-N -1 1 351.392 -0.320 20 0 FBADMM NC(=O)CC[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737748215 598425802 /nfs/dbraw/zinc/42/58/02/598425802.db2.gz PXYVGLBTDJIWHZ-JTQLQIEISA-N -1 1 365.419 -0.072 20 0 FBADMM NC(=O)CC[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737748215 598425800 /nfs/dbraw/zinc/42/58/00/598425800.db2.gz PXYVGLBTDJIWHZ-JTQLQIEISA-N -1 1 365.419 -0.072 20 0 FBADMM NC(=O)CC[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737748216 598425381 /nfs/dbraw/zinc/42/53/81/598425381.db2.gz PXYVGLBTDJIWHZ-SNVBAGLBSA-N -1 1 365.419 -0.072 20 0 FBADMM NC(=O)CC[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737748216 598425379 /nfs/dbraw/zinc/42/53/79/598425379.db2.gz PXYVGLBTDJIWHZ-SNVBAGLBSA-N -1 1 365.419 -0.072 20 0 FBADMM NC(=O)CC(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000737748459 598931546 /nfs/dbraw/zinc/93/15/46/598931546.db2.gz ZEYYIGPXEQXLIM-UHFFFAOYSA-N -1 1 372.345 -0.361 20 0 FBADMM NC(=O)CNC(=O)c1ccc(CNc2nccnc2-c2nn[n-]n2)cc1 ZINC000737751945 598345431 /nfs/dbraw/zinc/34/54/31/598345431.db2.gz BUSZIUFANHJOCU-UHFFFAOYSA-N -1 1 353.346 -0.516 20 0 FBADMM NC(=O)CNC(=O)c1ccc(CNc2nccnc2-c2nnn[n-]2)cc1 ZINC000737751945 598345429 /nfs/dbraw/zinc/34/54/29/598345429.db2.gz BUSZIUFANHJOCU-UHFFFAOYSA-N -1 1 353.346 -0.516 20 0 FBADMM NC(=O)CNC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737753099 599000513 /nfs/dbraw/zinc/00/05/13/599000513.db2.gz LQPFTMSKTSMDIA-UHFFFAOYSA-N -1 1 366.341 -0.271 20 0 FBADMM NC(=O)CNC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737753099 599000512 /nfs/dbraw/zinc/00/05/12/599000512.db2.gz LQPFTMSKTSMDIA-UHFFFAOYSA-N -1 1 366.341 -0.271 20 0 FBADMM NC(=O)CNC(=O)c1cccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737753127 599157290 /nfs/dbraw/zinc/15/72/90/599157290.db2.gz MKQXPVPFQWUJTR-UHFFFAOYSA-N -1 1 367.325 -0.304 20 0 FBADMM NC(=O)CNC(=O)c1cccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737753127 599157289 /nfs/dbraw/zinc/15/72/89/599157289.db2.gz MKQXPVPFQWUJTR-UHFFFAOYSA-N -1 1 367.325 -0.304 20 0 FBADMM NC(=O)CNC(=O)c1ccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737753584 599156512 /nfs/dbraw/zinc/15/65/12/599156512.db2.gz OBIHGZBJQIGHCP-UHFFFAOYSA-N -1 1 367.325 -0.304 20 0 FBADMM NC(=O)CNC(=O)c1ccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737753584 599156511 /nfs/dbraw/zinc/15/65/11/599156511.db2.gz OBIHGZBJQIGHCP-UHFFFAOYSA-N -1 1 367.325 -0.304 20 0 FBADMM NC(=O)CNC(=O)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737754396 598993490 /nfs/dbraw/zinc/99/34/90/598993490.db2.gz TVDLIMACNXPEQF-UHFFFAOYSA-N -1 1 366.341 -0.271 20 0 FBADMM NC(=O)CNC(=O)c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737754396 598993488 /nfs/dbraw/zinc/99/34/88/598993488.db2.gz TVDLIMACNXPEQF-UHFFFAOYSA-N -1 1 366.341 -0.271 20 0 FBADMM NC(=O)c1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)nn1-c1ccccc1 ZINC000737756161 598719073 /nfs/dbraw/zinc/71/90/73/598719073.db2.gz TXUGHNDDXCXEEI-UHFFFAOYSA-N -1 1 364.329 -0.382 20 0 FBADMM COCCS(=O)(=O)[N-]N=c1ccc(S(=O)(=O)NC2CC2)c[nH]1 ZINC000737756412 659971651 /nfs/dbraw/zinc/97/16/51/659971651.db2.gz MBNUXVFNVCWVMW-UHFFFAOYSA-N -1 1 350.422 -0.585 20 0 FBADMM COCCS(=O)(=O)[N-]N=c1ccc(S(=O)(=O)N2CCCC2)c[nH]1 ZINC000737756754 659971671 /nfs/dbraw/zinc/97/16/71/659971671.db2.gz PAYTUHHZHVJCSV-UHFFFAOYSA-N -1 1 364.449 -0.241 20 0 FBADMM NC(=O)N1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000737757896 598693672 /nfs/dbraw/zinc/69/36/72/598693672.db2.gz BLADDOQAYWYBON-UHFFFAOYSA-N -1 1 369.382 -0.219 20 0 FBADMM NC(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737759052 598261417 /nfs/dbraw/zinc/26/14/17/598261417.db2.gz FZZUBHCUQZBGHI-UHFFFAOYSA-N -1 1 359.371 -0.161 20 0 FBADMM NC(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737759052 598261416 /nfs/dbraw/zinc/26/14/16/598261416.db2.gz FZZUBHCUQZBGHI-UHFFFAOYSA-N -1 1 359.371 -0.161 20 0 FBADMM NC(=O)c1cccc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737760094 598356320 /nfs/dbraw/zinc/35/63/20/598356320.db2.gz FLVJOBUSKZKFCD-UHFFFAOYSA-N -1 1 373.398 -0.118 20 0 FBADMM NC(=O)c1cccc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737760094 598356318 /nfs/dbraw/zinc/35/63/18/598356318.db2.gz FLVJOBUSKZKFCD-UHFFFAOYSA-N -1 1 373.398 -0.118 20 0 FBADMM NC(=O)c1ccc(N2CCN(c3nccnc3-c3nn[n-]n3)CC2)nc1 ZINC000737760635 598345773 /nfs/dbraw/zinc/34/57/73/598345773.db2.gz PJHGUKVSKGTSOQ-UHFFFAOYSA-N -1 1 352.362 -0.523 20 0 FBADMM NC(=O)c1ccc(N2CCN(c3nccnc3-c3nnn[n-]3)CC2)nc1 ZINC000737760635 598345771 /nfs/dbraw/zinc/34/57/71/598345771.db2.gz PJHGUKVSKGTSOQ-UHFFFAOYSA-N -1 1 352.362 -0.523 20 0 FBADMM NC(=O)c1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737760813 598264177 /nfs/dbraw/zinc/26/41/77/598264177.db2.gz LSGWXUKBKMLTLK-UHFFFAOYSA-N -1 1 359.371 -0.161 20 0 FBADMM NC(=O)c1cccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737760813 598264176 /nfs/dbraw/zinc/26/41/76/598264176.db2.gz LSGWXUKBKMLTLK-UHFFFAOYSA-N -1 1 359.371 -0.161 20 0 FBADMM NC(=O)c1cccnc1N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000737763684 598349777 /nfs/dbraw/zinc/34/97/77/598349777.db2.gz FVXYBKBNQKVEOE-UHFFFAOYSA-N -1 1 352.362 -0.523 20 0 FBADMM NC(=O)c1cccnc1N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000737763684 598349775 /nfs/dbraw/zinc/34/97/75/598349775.db2.gz FVXYBKBNQKVEOE-UHFFFAOYSA-N -1 1 352.362 -0.523 20 0 FBADMM NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737764017 598979299 /nfs/dbraw/zinc/97/92/99/598979299.db2.gz CQUCLNISCFNHTE-UHFFFAOYSA-N -1 1 373.398 -0.118 20 0 FBADMM NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737764017 598979297 /nfs/dbraw/zinc/97/92/97/598979297.db2.gz CQUCLNISCFNHTE-UHFFFAOYSA-N -1 1 373.398 -0.118 20 0 FBADMM NS(=O)(=O)CCN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737764440 598983227 /nfs/dbraw/zinc/98/32/27/598983227.db2.gz GVFVQEQLBACOGL-UHFFFAOYSA-N -1 1 368.423 -0.857 20 0 FBADMM NS(=O)(=O)N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000737764450 598934831 /nfs/dbraw/zinc/93/48/31/598934831.db2.gz HAVXNCJLFUCROG-UHFFFAOYSA-N -1 1 361.391 -0.865 20 0 FBADMM NS(=O)(=O)N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000737764450 598934829 /nfs/dbraw/zinc/93/48/29/598934829.db2.gz HAVXNCJLFUCROG-UHFFFAOYSA-N -1 1 361.391 -0.865 20 0 FBADMM NS(=O)(=O)Cc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737764632 599028536 /nfs/dbraw/zinc/02/85/36/599028536.db2.gz JUYONWBMILZVMT-UHFFFAOYSA-N -1 1 373.398 -0.020 20 0 FBADMM NS(=O)(=O)Cc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737764632 599028534 /nfs/dbraw/zinc/02/85/34/599028534.db2.gz JUYONWBMILZVMT-UHFFFAOYSA-N -1 1 373.398 -0.020 20 0 FBADMM COCCN(C)CCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000737765067 600469512 /nfs/dbraw/zinc/46/95/12/600469512.db2.gz NOYKFSSQFVCNNL-AWEZNQCLSA-N -1 1 365.386 -0.440 20 0 FBADMM COCCN(C)CCNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000737765070 600469881 /nfs/dbraw/zinc/46/98/81/600469881.db2.gz NOYKFSSQFVCNNL-CQSZACIVSA-N -1 1 365.386 -0.440 20 0 FBADMM NS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737766035 599018851 /nfs/dbraw/zinc/01/88/51/599018851.db2.gz SBCQAMVXAQHQDA-UHFFFAOYSA-N -1 1 359.371 -0.161 20 0 FBADMM NS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737766035 599018849 /nfs/dbraw/zinc/01/88/49/599018849.db2.gz SBCQAMVXAQHQDA-UHFFFAOYSA-N -1 1 359.371 -0.161 20 0 FBADMM NS(=O)(=O)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000737766653 599265484 /nfs/dbraw/zinc/26/54/84/599265484.db2.gz TWDWVTGXJABXGN-UHFFFAOYSA-N -1 1 350.817 -0.698 20 0 FBADMM NS(=O)(=O)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000737766653 599265482 /nfs/dbraw/zinc/26/54/82/599265482.db2.gz TWDWVTGXJABXGN-UHFFFAOYSA-N -1 1 350.817 -0.698 20 0 FBADMM NS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC000737767169 598983939 /nfs/dbraw/zinc/98/39/39/598983939.db2.gz YURCHJDXIGCHTO-UHFFFAOYSA-N -1 1 365.400 -0.099 20 0 FBADMM NS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC000737767169 598983938 /nfs/dbraw/zinc/98/39/38/598983938.db2.gz YURCHJDXIGCHTO-UHFFFAOYSA-N -1 1 365.400 -0.099 20 0 FBADMM Nc1n[nH]c(CCCNC(=S)NC2CCOCC2)c1-c1nn[n-]n1 ZINC000737769835 598514456 /nfs/dbraw/zinc/51/44/56/598514456.db2.gz OKCQHTXRSIYDSP-UHFFFAOYSA-N -1 1 351.440 -0.252 20 0 FBADMM Nc1n[nH]c(CCCNC(=S)NC2CCOCC2)c1-c1nnn[n-]1 ZINC000737769835 598514455 /nfs/dbraw/zinc/51/44/55/598514455.db2.gz OKCQHTXRSIYDSP-UHFFFAOYSA-N -1 1 351.440 -0.252 20 0 FBADMM NS(=O)(=O)c1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737770351 599022809 /nfs/dbraw/zinc/02/28/09/599022809.db2.gz ULCMERDCLWRWJI-UHFFFAOYSA-N -1 1 359.371 -0.161 20 0 FBADMM NS(=O)(=O)c1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737770351 599022808 /nfs/dbraw/zinc/02/28/08/599022808.db2.gz ULCMERDCLWRWJI-UHFFFAOYSA-N -1 1 359.371 -0.161 20 0 FBADMM Nc1c(-c2nn[nH]n2)cnn1-c1ccc(C(=O)NCc2nn[n-]n2)cc1 ZINC000737776409 598697100 /nfs/dbraw/zinc/69/71/00/598697100.db2.gz MGORPFKSVGINBC-UHFFFAOYSA-N -1 1 352.322 -0.922 20 0 FBADMM Nc1n[nH]c(CCCNC(=O)Nc2nnc3ccccn32)c1-c1nn[n-]n1 ZINC000737777342 599281654 /nfs/dbraw/zinc/28/16/54/599281654.db2.gz WRFBHQFNOJWKGK-UHFFFAOYSA-N -1 1 368.365 -0.031 20 0 FBADMM Nc1n[nH]c(CCCNC(=O)Nc2nnc3ccccn32)c1-c1nnn[n-]1 ZINC000737777342 599281651 /nfs/dbraw/zinc/28/16/51/599281651.db2.gz WRFBHQFNOJWKGK-UHFFFAOYSA-N -1 1 368.365 -0.031 20 0 FBADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000737778237 598259843 /nfs/dbraw/zinc/25/98/43/598259843.db2.gz YGXLJTJGYWMMHM-UHFFFAOYSA-N -1 1 357.725 -0.037 20 0 FBADMM O=C(C(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)N1CCCC1 ZINC000737781565 599412396 /nfs/dbraw/zinc/41/23/96/599412396.db2.gz JYAUGQGVBVNTAE-UHFFFAOYSA-N -1 1 356.390 -0.467 20 0 FBADMM O=C(C(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1)N1CCCC1 ZINC000737781565 599412393 /nfs/dbraw/zinc/41/23/93/599412393.db2.gz JYAUGQGVBVNTAE-UHFFFAOYSA-N -1 1 356.390 -0.467 20 0 FBADMM O=C(C1CC1)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737784708 598261384 /nfs/dbraw/zinc/26/13/84/598261384.db2.gz NDFLVVLDSCAHCD-UHFFFAOYSA-N -1 1 363.403 -0.495 20 0 FBADMM O=C(C1CC1)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737784708 598261383 /nfs/dbraw/zinc/26/13/83/598261383.db2.gz NDFLVVLDSCAHCD-UHFFFAOYSA-N -1 1 363.403 -0.495 20 0 FBADMM COCCN(CCC(=O)[O-])CC(=O)N1CCN(c2cnccn2)CC1 ZINC000737793759 600640571 /nfs/dbraw/zinc/64/05/71/600640571.db2.gz DCZMHAIIGKJLTE-UHFFFAOYSA-N -1 1 351.407 -0.452 20 0 FBADMM COCCN(CCC(=O)[O-])CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000737795011 600641922 /nfs/dbraw/zinc/64/19/22/600641922.db2.gz VSMHCWFBDUVTBF-UHFFFAOYSA-N -1 1 367.402 -0.013 20 0 FBADMM O=C(C=Cc1ccccc1-c1nn[nH]n1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000737802436 598690638 /nfs/dbraw/zinc/69/06/38/598690638.db2.gz WUJZYTMMVCGTJX-BTDICHCPSA-N -1 1 353.346 -0.007 20 0 FBADMM O=C(C=Cc1ccccc1-c1nn[nH]n1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000737802440 598690870 /nfs/dbraw/zinc/69/08/70/598690870.db2.gz WUJZYTMMVCGTJX-FJOGCWAESA-N -1 1 353.346 -0.007 20 0 FBADMM O=C(C=Cc1ccccc1-c1nn[nH]n1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000737802445 598691059 /nfs/dbraw/zinc/69/10/59/598691059.db2.gz WUJZYTMMVCGTJX-FOQNGQEVSA-N -1 1 353.346 -0.007 20 0 FBADMM O=C(C=Cc1ccccc1-c1nn[nH]n1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000737802448 598690784 /nfs/dbraw/zinc/69/07/84/598690784.db2.gz WUJZYTMMVCGTJX-FYJFLYSWSA-N -1 1 353.346 -0.007 20 0 FBADMM COCCOCCN1C(=O)C[C@@H](N2CCC3(C[C@@H]3C(=O)[O-])CC2)C1=O ZINC000737814159 600315265 /nfs/dbraw/zinc/31/52/65/600315265.db2.gz KBIQWGBVNXDLKF-CHWSQXEVSA-N -1 1 354.403 -0.036 20 0 FBADMM COCCOCCN1C(=O)C[C@H](N2CCC3(C[C@@H]3C(=O)[O-])CC2)C1=O ZINC000737814165 600315416 /nfs/dbraw/zinc/31/54/16/600315416.db2.gz KBIQWGBVNXDLKF-OLZOCXBDSA-N -1 1 354.403 -0.036 20 0 FBADMM COCCOCCN1C(=O)C[C@@H](N2CCC3(C[C@H]3C(=O)[O-])CC2)C1=O ZINC000737814168 600315272 /nfs/dbraw/zinc/31/52/72/600315272.db2.gz KBIQWGBVNXDLKF-QWHCGFSZSA-N -1 1 354.403 -0.036 20 0 FBADMM COCCOCCN1C(=O)C[C@H](N2CCC3(C[C@H]3C(=O)[O-])CC2)C1=O ZINC000737814171 600315300 /nfs/dbraw/zinc/31/53/00/600315300.db2.gz KBIQWGBVNXDLKF-STQMWFEESA-N -1 1 354.403 -0.036 20 0 FBADMM COCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC(=O)[O-])cc1 ZINC000737824031 600395482 /nfs/dbraw/zinc/39/54/82/600395482.db2.gz OEYDHDDXKVJJGB-UHFFFAOYSA-N -1 1 352.390 -0.562 20 0 FBADMM O=C(CCCS(=O)(=O)N1CCCC1)N=c1cc[nH]cc1-c1nn[n-]n1 ZINC000737837232 599256131 /nfs/dbraw/zinc/25/61/31/599256131.db2.gz UDPXROZXHQFFTK-UHFFFAOYSA-N -1 1 365.419 -0.172 20 0 FBADMM O=C(CCN1C(=O)NC2(CCCC2)C1=O)N=c1cc[nH]cc1-c1nn[n-]n1 ZINC000737839436 599252191 /nfs/dbraw/zinc/25/21/91/599252191.db2.gz SINCQKGUVQJRFW-UHFFFAOYSA-N -1 1 370.373 -0.123 20 0 FBADMM O=C(CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)NC1CC1 ZINC000737841982 598266150 /nfs/dbraw/zinc/26/61/50/598266150.db2.gz RWRKWTQNRRGHDQ-UHFFFAOYSA-N -1 1 351.392 -0.401 20 0 FBADMM O=C(CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)NC1CC1 ZINC000737841982 598266149 /nfs/dbraw/zinc/26/61/49/598266149.db2.gz RWRKWTQNRRGHDQ-UHFFFAOYSA-N -1 1 351.392 -0.401 20 0 FBADMM O=C(CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCCCC1 ZINC000737848249 598267730 /nfs/dbraw/zinc/26/77/30/598267730.db2.gz QKJKLTCBHYAKOK-UHFFFAOYSA-N -1 1 365.419 -0.057 20 0 FBADMM O=C(CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCCCC1 ZINC000737848249 598267727 /nfs/dbraw/zinc/26/77/27/598267727.db2.gz QKJKLTCBHYAKOK-UHFFFAOYSA-N -1 1 365.419 -0.057 20 0 FBADMM O=C(CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1cccnc1 ZINC000737849195 598585893 /nfs/dbraw/zinc/58/58/93/598585893.db2.gz ZCOYCSMBECCJMF-UHFFFAOYSA-N -1 1 374.386 -0.036 20 0 FBADMM O=C(CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1cccnc1 ZINC000737849195 598585891 /nfs/dbraw/zinc/58/58/91/598585891.db2.gz ZCOYCSMBECCJMF-UHFFFAOYSA-N -1 1 374.386 -0.036 20 0 FBADMM O=C(CCNS(=O)(=O)c1ccccc1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000737849204 660536922 /nfs/dbraw/zinc/53/69/22/660536922.db2.gz ZJAPKHSIZHZJPM-GFCCVEGCSA-N -1 1 366.403 -0.532 20 0 FBADMM O=C(CCNS(=O)(=O)c1ccccc1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000737849205 660536779 /nfs/dbraw/zinc/53/67/79/660536779.db2.gz ZJAPKHSIZHZJPM-LBPRGKRZSA-N -1 1 366.403 -0.532 20 0 FBADMM O=C(CCc1ccc(-c2nn[nH]n2)cc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000737850945 598690551 /nfs/dbraw/zinc/69/05/51/598690551.db2.gz CKHMXUCEBJRZTP-GFCCVEGCSA-N -1 1 355.362 -0.088 20 0 FBADMM O=C(CCc1ccc(-c2nn[nH]n2)cc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000737850948 598691065 /nfs/dbraw/zinc/69/10/65/598691065.db2.gz CKHMXUCEBJRZTP-LBPRGKRZSA-N -1 1 355.362 -0.088 20 0 FBADMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000737862073 598320954 /nfs/dbraw/zinc/32/09/54/598320954.db2.gz JQJQYLIEYMXLQT-UHFFFAOYSA-N -1 1 359.321 -0.438 20 0 FBADMM O=C(CCn1nnc2ccccc2c1=O)N=c1cc[nH]cc1-c1nn[n-]n1 ZINC000737862945 598380614 /nfs/dbraw/zinc/38/06/14/598380614.db2.gz PSKULPAVTWLDDJ-UHFFFAOYSA-N -1 1 363.341 -0.183 20 0 FBADMM COc1cc(C)nc(N2CCN(CCC(=O)N(C)CC(=O)[O-])CC2)n1 ZINC000737868910 600302513 /nfs/dbraw/zinc/30/25/13/600302513.db2.gz ZKKVGTOYWSMAPL-UHFFFAOYSA-N -1 1 351.407 -0.151 20 0 FBADMM O=C(CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1)NC1CC1 ZINC000737874232 599020381 /nfs/dbraw/zinc/02/03/81/599020381.db2.gz UHZDYYKNURHOJU-UHFFFAOYSA-N -1 1 356.390 -0.702 20 0 FBADMM O=C(CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1)NC1CC1 ZINC000737874232 599020379 /nfs/dbraw/zinc/02/03/79/599020379.db2.gz UHZDYYKNURHOJU-UHFFFAOYSA-N -1 1 356.390 -0.702 20 0 FBADMM O=C(CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1)N1CCCC1 ZINC000737874651 599020461 /nfs/dbraw/zinc/02/04/61/599020461.db2.gz XNXWIMJPNAPGFI-UHFFFAOYSA-N -1 1 370.417 -0.358 20 0 FBADMM O=C(CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1)N1CCCC1 ZINC000737874651 599020459 /nfs/dbraw/zinc/02/04/59/599020459.db2.gz XNXWIMJPNAPGFI-UHFFFAOYSA-N -1 1 370.417 -0.358 20 0 FBADMM O=C(CN1CCN(c2nccnc2-c2nn[n-]n2)CC1)N1CCCCC1 ZINC000737881448 598339479 /nfs/dbraw/zinc/33/94/79/598339479.db2.gz DXGMENBSXXXKMW-UHFFFAOYSA-N -1 1 357.422 -0.209 20 0 FBADMM O=C(CN1CCN(c2nccnc2-c2nnn[n-]2)CC1)N1CCCCC1 ZINC000737881448 598339477 /nfs/dbraw/zinc/33/94/77/598339477.db2.gz DXGMENBSXXXKMW-UHFFFAOYSA-N -1 1 357.422 -0.209 20 0 FBADMM O=C(CN1CCOCC1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737883207 599403137 /nfs/dbraw/zinc/40/31/37/599403137.db2.gz DTUVPGWFRYFLPR-UHFFFAOYSA-N -1 1 358.406 -0.758 20 0 FBADMM O=C(CN1CCOCC1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737883207 599403136 /nfs/dbraw/zinc/40/31/36/599403136.db2.gz DTUVPGWFRYFLPR-UHFFFAOYSA-N -1 1 358.406 -0.758 20 0 FBADMM O=C(CN1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)N1CCCCC1 ZINC000737884276 598385695 /nfs/dbraw/zinc/38/56/95/598385695.db2.gz USTAOASJIUZQTQ-UHFFFAOYSA-N -1 1 357.422 -0.209 20 0 FBADMM O=C(CN1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)N1CCCCC1 ZINC000737884276 598385693 /nfs/dbraw/zinc/38/56/93/598385693.db2.gz USTAOASJIUZQTQ-UHFFFAOYSA-N -1 1 357.422 -0.209 20 0 FBADMM O=C(CN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)N1CCOCC1 ZINC000737884381 599397341 /nfs/dbraw/zinc/39/73/41/599397341.db2.gz VNAAUDTVJFEDAE-UHFFFAOYSA-N -1 1 358.406 -0.758 20 0 FBADMM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1cccnc1 ZINC000737894049 598274135 /nfs/dbraw/zinc/27/41/35/598274135.db2.gz CXMBFIFGYZBMDZ-UHFFFAOYSA-N -1 1 360.359 -0.426 20 0 FBADMM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1cccnc1 ZINC000737894049 598274134 /nfs/dbraw/zinc/27/41/34/598274134.db2.gz CXMBFIFGYZBMDZ-UHFFFAOYSA-N -1 1 360.359 -0.426 20 0 FBADMM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCCCC1 ZINC000737894511 598266419 /nfs/dbraw/zinc/26/64/19/598266419.db2.gz FTWHWLKQCAEVLL-UHFFFAOYSA-N -1 1 351.392 -0.448 20 0 FBADMM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCCCC1 ZINC000737894511 598266418 /nfs/dbraw/zinc/26/64/18/598266418.db2.gz FTWHWLKQCAEVLL-UHFFFAOYSA-N -1 1 351.392 -0.448 20 0 FBADMM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)NCC(F)(F)F ZINC000737894667 598267582 /nfs/dbraw/zinc/26/75/82/598267582.db2.gz IUEBTGDOPIFXNP-UHFFFAOYSA-N -1 1 365.297 -0.782 20 0 FBADMM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)NCC(F)(F)F ZINC000737894667 598267580 /nfs/dbraw/zinc/26/75/80/598267580.db2.gz IUEBTGDOPIFXNP-UHFFFAOYSA-N -1 1 365.297 -0.782 20 0 FBADMM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)NCc1ccccc1 ZINC000737894684 598266108 /nfs/dbraw/zinc/26/61/08/598266108.db2.gz IZOKCAIMUISBGZ-UHFFFAOYSA-N -1 1 373.398 -0.144 20 0 FBADMM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)NCc1ccccc1 ZINC000737894684 598266107 /nfs/dbraw/zinc/26/61/07/598266107.db2.gz IZOKCAIMUISBGZ-UHFFFAOYSA-N -1 1 373.398 -0.144 20 0 FBADMM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)NCc1ccco1 ZINC000737895104 598262177 /nfs/dbraw/zinc/26/21/77/598262177.db2.gz LYLLGWOLBKIYGF-UHFFFAOYSA-N -1 1 363.359 -0.551 20 0 FBADMM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)NCc1ccco1 ZINC000737895104 598262176 /nfs/dbraw/zinc/26/21/76/598262176.db2.gz LYLLGWOLBKIYGF-UHFFFAOYSA-N -1 1 363.359 -0.551 20 0 FBADMM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)NC1CCCCC1 ZINC000737895749 598271013 /nfs/dbraw/zinc/27/10/13/598271013.db2.gz RYPWDXBFLHLPJS-UHFFFAOYSA-N -1 1 365.419 -0.011 20 0 FBADMM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)NC1CCCCC1 ZINC000737895749 598271012 /nfs/dbraw/zinc/27/10/12/598271012.db2.gz RYPWDXBFLHLPJS-UHFFFAOYSA-N -1 1 365.419 -0.011 20 0 FBADMM O=C(CNc1ccc(-c2nn[nH]n2)cc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000737895851 598623278 /nfs/dbraw/zinc/62/32/78/598623278.db2.gz RVNCDCQSVBSDLF-LLVKDONJSA-N -1 1 356.350 -0.608 20 0 FBADMM O=C(CNc1ccc(-c2nn[nH]n2)cc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000737895852 598623329 /nfs/dbraw/zinc/62/33/29/598623329.db2.gz RVNCDCQSVBSDLF-NSHDSACASA-N -1 1 356.350 -0.608 20 0 FBADMM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)NC1CCCC1 ZINC000737896145 598270735 /nfs/dbraw/zinc/27/07/35/598270735.db2.gz WTSUWQNAWSECKW-UHFFFAOYSA-N -1 1 351.392 -0.401 20 0 FBADMM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)NC1CCCC1 ZINC000737896145 598270733 /nfs/dbraw/zinc/27/07/33/598270733.db2.gz WTSUWQNAWSECKW-UHFFFAOYSA-N -1 1 351.392 -0.401 20 0 FBADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)NCCCn1cccn1 ZINC000737907476 599139471 /nfs/dbraw/zinc/13/94/71/599139471.db2.gz DIDVDRZQHMPQHQ-UHFFFAOYSA-N -1 1 356.346 -0.179 20 0 FBADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)NCCCn1cccn1 ZINC000737907476 599139469 /nfs/dbraw/zinc/13/94/69/599139469.db2.gz DIDVDRZQHMPQHQ-UHFFFAOYSA-N -1 1 356.346 -0.179 20 0 FBADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)NC(=O)NCC(F)(F)F ZINC000737909226 599139895 /nfs/dbraw/zinc/13/98/95/599139895.db2.gz QQCHRBAMRUQWJF-UHFFFAOYSA-N -1 1 373.251 -0.193 20 0 FBADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)NC(=O)NCC(F)(F)F ZINC000737909226 599139893 /nfs/dbraw/zinc/13/98/93/599139893.db2.gz QQCHRBAMRUQWJF-UHFFFAOYSA-N -1 1 373.251 -0.193 20 0 FBADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)NCCCN1CCCC1=O ZINC000737909614 599133321 /nfs/dbraw/zinc/13/33/21/599133321.db2.gz VKFVKISWKTWJSH-UHFFFAOYSA-N -1 1 373.373 -0.453 20 0 FBADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)NCCCN1CCCC1=O ZINC000737909614 599133319 /nfs/dbraw/zinc/13/33/19/599133319.db2.gz VKFVKISWKTWJSH-UHFFFAOYSA-N -1 1 373.373 -0.453 20 0 FBADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)NCC(=O)N1CCCC1 ZINC000737909826 599141417 /nfs/dbraw/zinc/14/14/17/599141417.db2.gz ZPJTUMVFMKXLDU-UHFFFAOYSA-N -1 1 359.346 -0.843 20 0 FBADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)NCC(=O)N1CCCC1 ZINC000737909826 599141414 /nfs/dbraw/zinc/14/14/14/599141414.db2.gz ZPJTUMVFMKXLDU-UHFFFAOYSA-N -1 1 359.346 -0.843 20 0 FBADMM O=C(COc1ccc(-c2nn[nH]n2)cc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000737921287 598623154 /nfs/dbraw/zinc/62/31/54/598623154.db2.gz VOJBQPFEBMQCIU-LLVKDONJSA-N -1 1 357.334 -0.641 20 0 FBADMM O=C(COc1ccc(-c2nn[nH]n2)cc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000737921292 598623613 /nfs/dbraw/zinc/62/36/13/598623613.db2.gz VOJBQPFEBMQCIU-NSHDSACASA-N -1 1 357.334 -0.641 20 0 FBADMM O=C(COc1ccccc1-c1nn[nH]n1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000737925392 598623411 /nfs/dbraw/zinc/62/34/11/598623411.db2.gz QQSSAPZKXMIZHG-LLVKDONJSA-N -1 1 357.334 -0.641 20 0 FBADMM O=C(COc1ccccc1-c1nn[nH]n1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000737925393 598623568 /nfs/dbraw/zinc/62/35/68/598623568.db2.gz QQSSAPZKXMIZHG-NSHDSACASA-N -1 1 357.334 -0.641 20 0 FBADMM O=C(COc1cccc(-c2nn[nH]n2)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000737925715 598691037 /nfs/dbraw/zinc/69/10/37/598691037.db2.gz YFIVXTFHFBUJSS-LLVKDONJSA-N -1 1 357.334 -0.641 20 0 FBADMM O=C(COc1cccc(-c2nn[nH]n2)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000737925718 598690811 /nfs/dbraw/zinc/69/08/11/598690811.db2.gz YFIVXTFHFBUJSS-NSHDSACASA-N -1 1 357.334 -0.641 20 0 FBADMM O=C(Cn1ccc(Nc2nccnc2-c2nn[n-]n2)n1)N1CCOCC1 ZINC000737986416 599231910 /nfs/dbraw/zinc/23/19/10/599231910.db2.gz ITPRYMNABFTUJE-UHFFFAOYSA-N -1 1 356.350 -0.544 20 0 FBADMM O=C(Cn1ccc(Nc2nccnc2-c2nnn[n-]2)n1)N1CCOCC1 ZINC000737986416 599231907 /nfs/dbraw/zinc/23/19/07/599231907.db2.gz ITPRYMNABFTUJE-UHFFFAOYSA-N -1 1 356.350 -0.544 20 0 FBADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)N1CCN(C(=O)C2CC2)CC1 ZINC000737986697 598283676 /nfs/dbraw/zinc/28/36/76/598283676.db2.gz LUEKHSOHDPRLLH-UHFFFAOYSA-N -1 1 357.374 -0.891 20 0 FBADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)NC[C@@H]1COc2ccccc2O1 ZINC000737987043 598676769 /nfs/dbraw/zinc/67/67/69/598676769.db2.gz PPUXERZELMDGNB-LLVKDONJSA-N -1 1 368.353 -0.015 20 0 FBADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)NC[C@H]1COc2ccccc2O1 ZINC000737987044 598676451 /nfs/dbraw/zinc/67/64/51/598676451.db2.gz PPUXERZELMDGNB-NSHDSACASA-N -1 1 368.353 -0.015 20 0 FBADMM O=C(Cn1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cn1)NC1CC1 ZINC000737987141 598995779 /nfs/dbraw/zinc/99/57/79/598995779.db2.gz SJIRNPNOMMEHGB-UHFFFAOYSA-N -1 1 353.346 -0.011 20 0 FBADMM O=C(Cn1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cn1)NC1CC1 ZINC000737987141 598995778 /nfs/dbraw/zinc/99/57/78/598995778.db2.gz SJIRNPNOMMEHGB-UHFFFAOYSA-N -1 1 353.346 -0.011 20 0 FBADMM CN1CCN(C[C@H]2CN(C(=O)C3CCN(C(=O)[O-])CC3)CCO2)CC1 ZINC000738013426 602422611 /nfs/dbraw/zinc/42/26/11/602422611.db2.gz OVZLFYFWJLHYEY-HNNXBMFYSA-N -1 1 354.451 -0.149 20 0 FBADMM CN1CCN(C[C@@H]2CN(C(=O)C3CCN(C(=O)[O-])CC3)CCO2)CC1 ZINC000738013427 602422880 /nfs/dbraw/zinc/42/28/80/602422880.db2.gz OVZLFYFWJLHYEY-OAHLLOKOSA-N -1 1 354.451 -0.149 20 0 FBADMM CN1CCN(C[C@H]2CN(C(=O)[C@@H]3CCCN(C(=O)[O-])C3)CCO2)CC1 ZINC000738013815 602422733 /nfs/dbraw/zinc/42/27/33/602422733.db2.gz URXJQINWGPJXSR-CABCVRRESA-N -1 1 354.451 -0.149 20 0 FBADMM CN1CCN(C[C@H]2CN(C(=O)[C@H]3CCCN(C(=O)[O-])C3)CCO2)CC1 ZINC000738013817 602422824 /nfs/dbraw/zinc/42/28/24/602422824.db2.gz URXJQINWGPJXSR-GJZGRUSLSA-N -1 1 354.451 -0.149 20 0 FBADMM CN1CCN(C[C@@H]2CN(C(=O)[C@@H]3CCCN(C(=O)[O-])C3)CCO2)CC1 ZINC000738013819 602422907 /nfs/dbraw/zinc/42/29/07/602422907.db2.gz URXJQINWGPJXSR-HUUCEWRRSA-N -1 1 354.451 -0.149 20 0 FBADMM CN1CCN(C[C@@H]2CN(C(=O)[C@H]3CCCN(C(=O)[O-])C3)CCO2)CC1 ZINC000738013821 602422686 /nfs/dbraw/zinc/42/26/86/602422686.db2.gz URXJQINWGPJXSR-LSDHHAIUSA-N -1 1 354.451 -0.149 20 0 FBADMM O=C(NC1CC1)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000738021792 599022979 /nfs/dbraw/zinc/02/29/79/599022979.db2.gz QDTPJAKOBVVHTC-UHFFFAOYSA-N -1 1 372.389 -0.341 20 0 FBADMM O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738022848 598264119 /nfs/dbraw/zinc/26/41/19/598264119.db2.gz TWRHSCMBINSNOF-GFCCVEGCSA-N -1 1 363.403 -0.307 20 0 FBADMM O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738022848 598264117 /nfs/dbraw/zinc/26/41/17/598264117.db2.gz TWRHSCMBINSNOF-GFCCVEGCSA-N -1 1 363.403 -0.307 20 0 FBADMM O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738022852 598264364 /nfs/dbraw/zinc/26/43/64/598264364.db2.gz TWRHSCMBINSNOF-LBPRGKRZSA-N -1 1 363.403 -0.307 20 0 FBADMM O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738022852 598264362 /nfs/dbraw/zinc/26/43/62/598264362.db2.gz TWRHSCMBINSNOF-LBPRGKRZSA-N -1 1 363.403 -0.307 20 0 FBADMM O=C(CNC(=O)c1ccc(F)cc1F)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000738036993 660540100 /nfs/dbraw/zinc/54/01/00/660540100.db2.gz BSSVSRMSFGSJMX-LLVKDONJSA-N -1 1 352.301 -0.192 20 0 FBADMM O=C(CNC(=O)c1ccc(F)cc1F)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000738036995 660540019 /nfs/dbraw/zinc/54/00/19/660540019.db2.gz BSSVSRMSFGSJMX-NSHDSACASA-N -1 1 352.301 -0.192 20 0 FBADMM O=C(NCCCN1CCCS1(=O)=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738065144 599028992 /nfs/dbraw/zinc/02/89/92/599028992.db2.gz GXLKCVDJSRFRLJ-UHFFFAOYSA-N -1 1 351.392 -0.583 20 0 FBADMM O=C(NCCCN1CCCS1(=O)=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738065144 599028990 /nfs/dbraw/zinc/02/89/90/599028990.db2.gz GXLKCVDJSRFRLJ-UHFFFAOYSA-N -1 1 351.392 -0.583 20 0 FBADMM O=C(NCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccco1 ZINC000738073857 598262586 /nfs/dbraw/zinc/26/25/86/598262586.db2.gz CAXMRQCAACDONE-UHFFFAOYSA-N -1 1 363.359 -0.437 20 0 FBADMM O=C(NCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccco1 ZINC000738073857 598262584 /nfs/dbraw/zinc/26/25/84/598262584.db2.gz CAXMRQCAACDONE-UHFFFAOYSA-N -1 1 363.359 -0.437 20 0 FBADMM O=C(NCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccnc1 ZINC000738074729 598266132 /nfs/dbraw/zinc/26/61/32/598266132.db2.gz MKGZPHPXOUOHEM-UHFFFAOYSA-N -1 1 374.386 -0.635 20 0 FBADMM O=C(NCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccnc1 ZINC000738074729 598266131 /nfs/dbraw/zinc/26/61/31/598266131.db2.gz MKGZPHPXOUOHEM-UHFFFAOYSA-N -1 1 374.386 -0.635 20 0 FBADMM O=C(NCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000738075215 598262223 /nfs/dbraw/zinc/26/22/23/598262223.db2.gz NJPIGEYFXQUIDO-UHFFFAOYSA-N -1 1 373.398 -0.030 20 0 FBADMM O=C(NCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000738075215 598262220 /nfs/dbraw/zinc/26/22/20/598262220.db2.gz NJPIGEYFXQUIDO-UHFFFAOYSA-N -1 1 373.398 -0.030 20 0 FBADMM O=C(NCCNS(=O)(=O)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738076679 598988761 /nfs/dbraw/zinc/98/87/61/598988761.db2.gz ZSCKCRUTVVMJBL-UHFFFAOYSA-N -1 1 373.398 -0.030 20 0 FBADMM O=C(NCCNS(=O)(=O)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738076679 598988760 /nfs/dbraw/zinc/98/87/60/598988760.db2.gz ZSCKCRUTVVMJBL-UHFFFAOYSA-N -1 1 373.398 -0.030 20 0 FBADMM O=C(NCCCn1nc2n(c1=O)CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC000738076711 599024524 /nfs/dbraw/zinc/02/45/24/599024524.db2.gz YOBLGPSXRHKNPO-UHFFFAOYSA-N -1 1 369.389 -0.224 20 0 FBADMM O=C(NCCCn1nc2n(c1=O)CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC000738076711 599024522 /nfs/dbraw/zinc/02/45/22/599024522.db2.gz YOBLGPSXRHKNPO-UHFFFAOYSA-N -1 1 369.389 -0.224 20 0 FBADMM O=C(NCCS(=O)(=O)NCC1CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738085708 599031653 /nfs/dbraw/zinc/03/16/53/599031653.db2.gz MCDZZGRJSIQLPH-UHFFFAOYSA-N -1 1 365.419 -0.289 20 0 FBADMM O=C(NCCS(=O)(=O)NCC1CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738085708 599031651 /nfs/dbraw/zinc/03/16/51/599031651.db2.gz MCDZZGRJSIQLPH-UHFFFAOYSA-N -1 1 365.419 -0.289 20 0 FBADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000738148619 597379484 /nfs/dbraw/zinc/37/94/84/597379484.db2.gz AZEZIWFYUQIPDO-LLVKDONJSA-N -1 1 359.342 -0.198 20 0 FBADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000738148620 597379451 /nfs/dbraw/zinc/37/94/51/597379451.db2.gz AZEZIWFYUQIPDO-NSHDSACASA-N -1 1 359.342 -0.198 20 0 FBADMM CS(=O)(=O)N[C@H]1CCN(CCCN2C(=O)CS/C2=C\C(=O)[O-])C1 ZINC000738165738 600263101 /nfs/dbraw/zinc/26/31/01/600263101.db2.gz ZFJLUUMENLXSBN-BZPKPHBRSA-N -1 1 363.461 -0.499 20 0 FBADMM CS(=O)(=O)N[C@@H]1CCN(CCCN2C(=O)CS/C2=C\C(=O)[O-])C1 ZINC000738165741 600263193 /nfs/dbraw/zinc/26/31/93/600263193.db2.gz ZFJLUUMENLXSBN-VPMLRQHESA-N -1 1 363.461 -0.499 20 0 FBADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCC2(CC1)OCCO2 ZINC000738220234 599137599 /nfs/dbraw/zinc/13/75/99/599137599.db2.gz QVOKSWUTWWUAMI-UHFFFAOYSA-N -1 1 374.357 -0.216 20 0 FBADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCC2(CC1)OCCO2 ZINC000738220234 599137596 /nfs/dbraw/zinc/13/75/96/599137596.db2.gz QVOKSWUTWWUAMI-UHFFFAOYSA-N -1 1 374.357 -0.216 20 0 FBADMM O=C(OCCn1nc2ccccn2c1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738223601 599135752 /nfs/dbraw/zinc/13/57/52/599135752.db2.gz UCKPGGVOLCAPOE-UHFFFAOYSA-N -1 1 352.314 -0.072 20 0 FBADMM O=C(OCCn1nc2ccccn2c1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738223601 599135750 /nfs/dbraw/zinc/13/57/50/599135750.db2.gz UCKPGGVOLCAPOE-UHFFFAOYSA-N -1 1 352.314 -0.072 20 0 FBADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000738258129 599021218 /nfs/dbraw/zinc/02/12/18/599021218.db2.gz FBRSJWKTGFYVBV-CYBMUJFWSA-N -1 1 371.401 -0.027 20 0 FBADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000738258129 599021215 /nfs/dbraw/zinc/02/12/15/599021215.db2.gz FBRSJWKTGFYVBV-CYBMUJFWSA-N -1 1 371.401 -0.027 20 0 FBADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000738258130 599021229 /nfs/dbraw/zinc/02/12/29/599021229.db2.gz FBRSJWKTGFYVBV-ZDUSSCGKSA-N -1 1 371.401 -0.027 20 0 FBADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000738258130 599021227 /nfs/dbraw/zinc/02/12/27/599021227.db2.gz FBRSJWKTGFYVBV-ZDUSSCGKSA-N -1 1 371.401 -0.027 20 0 FBADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000738258160 599019974 /nfs/dbraw/zinc/01/99/74/599019974.db2.gz GQRARCCRPMHHAM-CYBMUJFWSA-N -1 1 357.374 -0.275 20 0 FBADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000738258160 599019972 /nfs/dbraw/zinc/01/99/72/599019972.db2.gz GQRARCCRPMHHAM-CYBMUJFWSA-N -1 1 357.374 -0.275 20 0 FBADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000738258161 599020375 /nfs/dbraw/zinc/02/03/75/599020375.db2.gz GQRARCCRPMHHAM-ZDUSSCGKSA-N -1 1 357.374 -0.275 20 0 FBADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000738258161 599020373 /nfs/dbraw/zinc/02/03/73/599020373.db2.gz GQRARCCRPMHHAM-ZDUSSCGKSA-N -1 1 357.374 -0.275 20 0 FBADMM O=C(c1cc(=O)[nH][n-]1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000738294591 598719700 /nfs/dbraw/zinc/71/97/00/598719700.db2.gz DTQXWWBUAIYUNJ-UHFFFAOYSA-N -1 1 371.361 -0.743 20 0 FBADMM O=C(c1cc(=O)[nH][n-]1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738297651 598625211 /nfs/dbraw/zinc/62/52/11/598625211.db2.gz SYTWBAYEWTUXQO-UHFFFAOYSA-N -1 1 368.401 -0.223 20 0 FBADMM O=C1CCC(=O)N1CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738301336 598370484 /nfs/dbraw/zinc/37/04/84/598370484.db2.gz NPIWPPOPMXTTJD-UHFFFAOYSA-N -1 1 365.375 -0.921 20 0 FBADMM O=C1CCC(=O)N1CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738301336 598370481 /nfs/dbraw/zinc/37/04/81/598370481.db2.gz NPIWPPOPMXTTJD-UHFFFAOYSA-N -1 1 365.375 -0.921 20 0 FBADMM O=C1CCCCN1CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738301932 598407299 /nfs/dbraw/zinc/40/72/99/598407299.db2.gz GJDZQDBKSFRFPC-UHFFFAOYSA-N -1 1 365.419 -0.057 20 0 FBADMM O=C1CCCCN1CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738301932 598407297 /nfs/dbraw/zinc/40/72/97/598407297.db2.gz GJDZQDBKSFRFPC-UHFFFAOYSA-N -1 1 365.419 -0.057 20 0 FBADMM O=C1CCCN1CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738302851 598262203 /nfs/dbraw/zinc/26/22/03/598262203.db2.gz NZKZGGRDSNZYEY-UHFFFAOYSA-N -1 1 351.392 -0.448 20 0 FBADMM O=C1CCCN1CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738302851 598262201 /nfs/dbraw/zinc/26/22/01/598262201.db2.gz NZKZGGRDSNZYEY-UHFFFAOYSA-N -1 1 351.392 -0.448 20 0 FBADMM O=C([C@@H]1CCC(=O)N1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000738304495 598719688 /nfs/dbraw/zinc/71/96/88/598719688.db2.gz MDIXZMCASIRQCG-JTQLQIEISA-N -1 1 372.389 -0.341 20 0 FBADMM O=C([C@H]1CCC(=O)N1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000738304496 598308366 /nfs/dbraw/zinc/30/83/66/598308366.db2.gz MDIXZMCASIRQCG-SNVBAGLBSA-N -1 1 372.389 -0.341 20 0 FBADMM O=C(Nc1ccc(N2CCNC(=O)C2)nc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738306436 598992041 /nfs/dbraw/zinc/99/20/41/598992041.db2.gz HLEVYGUUVKIIJE-UHFFFAOYSA-N -1 1 365.357 -0.155 20 0 FBADMM O=C(Nc1ccc(N2CCNC(=O)C2)nc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738306436 598992039 /nfs/dbraw/zinc/99/20/39/598992039.db2.gz HLEVYGUUVKIIJE-UHFFFAOYSA-N -1 1 365.357 -0.155 20 0 FBADMM O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)NN1CC(=O)[N-]C1=O ZINC000738306899 598718336 /nfs/dbraw/zinc/71/83/36/598718336.db2.gz LALUPVPXTYQNOZ-UHFFFAOYSA-N -1 1 359.346 -0.001 20 0 FBADMM O=C1CSC(=O)N1CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738307203 598267821 /nfs/dbraw/zinc/26/78/21/598267821.db2.gz PHGRJNGJICXNLS-UHFFFAOYSA-N -1 1 369.388 -0.765 20 0 FBADMM O=C1CSC(=O)N1CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738307203 598267820 /nfs/dbraw/zinc/26/78/20/598267820.db2.gz PHGRJNGJICXNLS-UHFFFAOYSA-N -1 1 369.388 -0.765 20 0 FBADMM O=C1NC(=O)[C@@]2(CCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)N1 ZINC000738316052 598971018 /nfs/dbraw/zinc/97/10/18/598971018.db2.gz OZIDTYZTRKNHLA-HNNXBMFYSA-N -1 1 351.330 -0.402 20 0 FBADMM O=C1NC(=O)[C@@]2(CCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)N1 ZINC000738316052 598971016 /nfs/dbraw/zinc/97/10/16/598971016.db2.gz OZIDTYZTRKNHLA-HNNXBMFYSA-N -1 1 351.330 -0.402 20 0 FBADMM O=C1NC(=O)[C@]2(CCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)N1 ZINC000738316054 598970912 /nfs/dbraw/zinc/97/09/12/598970912.db2.gz OZIDTYZTRKNHLA-OAHLLOKOSA-N -1 1 351.330 -0.402 20 0 FBADMM O=C1NC(=O)[C@]2(CCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)N1 ZINC000738316054 598970911 /nfs/dbraw/zinc/97/09/11/598970911.db2.gz OZIDTYZTRKNHLA-OAHLLOKOSA-N -1 1 351.330 -0.402 20 0 FBADMM O=C1OCCN1CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738320251 598615103 /nfs/dbraw/zinc/61/51/03/598615103.db2.gz SEUQIWYDQIYBAV-UHFFFAOYSA-N -1 1 353.364 -0.618 20 0 FBADMM O=C1OCCN1CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738320251 598615102 /nfs/dbraw/zinc/61/51/02/598615102.db2.gz SEUQIWYDQIYBAV-UHFFFAOYSA-N -1 1 353.364 -0.618 20 0 FBADMM O=S(=O)(CCNc1nccnc1-c1nn[n-]n1)NC[C@@H]1CCCCO1 ZINC000738328915 598680358 /nfs/dbraw/zinc/68/03/58/598680358.db2.gz IEKCDLKNPRELHG-JTQLQIEISA-N -1 1 368.423 -0.443 20 0 FBADMM O=S(=O)(CCNc1nccnc1-c1nnn[n-]1)NC[C@@H]1CCCCO1 ZINC000738328915 598680357 /nfs/dbraw/zinc/68/03/57/598680357.db2.gz IEKCDLKNPRELHG-JTQLQIEISA-N -1 1 368.423 -0.443 20 0 FBADMM O=S(=O)(CCNc1nccnc1-c1nn[n-]n1)NC[C@H]1CCCCO1 ZINC000738328947 598680270 /nfs/dbraw/zinc/68/02/70/598680270.db2.gz IEKCDLKNPRELHG-SNVBAGLBSA-N -1 1 368.423 -0.443 20 0 FBADMM O=S(=O)(CCNc1nccnc1-c1nnn[n-]1)NC[C@H]1CCCCO1 ZINC000738328947 598680269 /nfs/dbraw/zinc/68/02/69/598680269.db2.gz IEKCDLKNPRELHG-SNVBAGLBSA-N -1 1 368.423 -0.443 20 0 FBADMM O=S(=O)(N1CCCC1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738330081 599402484 /nfs/dbraw/zinc/40/24/84/599402484.db2.gz PUKOBCTXAWNKER-UHFFFAOYSA-N -1 1 364.435 -0.276 20 0 FBADMM O=S(=O)(N1CCCC1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738330081 599402481 /nfs/dbraw/zinc/40/24/81/599402481.db2.gz PUKOBCTXAWNKER-UHFFFAOYSA-N -1 1 364.435 -0.276 20 0 FBADMM O=S(=O)(CCNc1ccc(Cl)c(-c2nn[n-]n2)n1)N1CCOCC1 ZINC000738330449 598579772 /nfs/dbraw/zinc/57/97/72/598579772.db2.gz OFYDVVYORBPGHI-UHFFFAOYSA-N -1 1 373.826 -0.011 20 0 FBADMM O=S(=O)(CCNc1ccc(Cl)c(-c2nnn[n-]2)n1)N1CCOCC1 ZINC000738330449 598579771 /nfs/dbraw/zinc/57/97/71/598579771.db2.gz OFYDVVYORBPGHI-UHFFFAOYSA-N -1 1 373.826 -0.011 20 0 FBADMM O=S(=O)(CCNc1nccnc1-c1nn[n-]n1)N1CCSCC1 ZINC000738332427 598426909 /nfs/dbraw/zinc/42/69/09/598426909.db2.gz XNWUMDGEWXAUAR-UHFFFAOYSA-N -1 1 356.437 -0.553 20 0 FBADMM O=S(=O)(CCNc1nccnc1-c1nnn[n-]1)N1CCSCC1 ZINC000738332427 598426908 /nfs/dbraw/zinc/42/69/08/598426908.db2.gz XNWUMDGEWXAUAR-UHFFFAOYSA-N -1 1 356.437 -0.553 20 0 FBADMM O=S(=O)(NCCOC[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738337950 598597156 /nfs/dbraw/zinc/59/71/56/598597156.db2.gz IKWKJOXCGKECNX-JTQLQIEISA-N -1 1 354.392 -0.407 20 0 FBADMM O=S(=O)(NCCOC[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738337950 598597155 /nfs/dbraw/zinc/59/71/55/598597155.db2.gz IKWKJOXCGKECNX-JTQLQIEISA-N -1 1 354.392 -0.407 20 0 FBADMM O=S(=O)(NCCOC[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738337955 598597165 /nfs/dbraw/zinc/59/71/65/598597165.db2.gz IKWKJOXCGKECNX-SNVBAGLBSA-N -1 1 354.392 -0.407 20 0 FBADMM O=S(=O)(NCCOC[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738337955 598597164 /nfs/dbraw/zinc/59/71/64/598597164.db2.gz IKWKJOXCGKECNX-SNVBAGLBSA-N -1 1 354.392 -0.407 20 0 FBADMM O=S(=O)(NCCCOC[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738338719 599009158 /nfs/dbraw/zinc/00/91/58/599009158.db2.gz LTRQMWMGVTUVND-LLVKDONJSA-N -1 1 368.419 -0.017 20 0 FBADMM O=S(=O)(NCCCOC[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738338719 599009156 /nfs/dbraw/zinc/00/91/56/599009156.db2.gz LTRQMWMGVTUVND-LLVKDONJSA-N -1 1 368.419 -0.017 20 0 FBADMM O=S(=O)(NCCCOC[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738338723 599009360 /nfs/dbraw/zinc/00/93/60/599009360.db2.gz LTRQMWMGVTUVND-NSHDSACASA-N -1 1 368.419 -0.017 20 0 FBADMM O=S(=O)(NCCCOC[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738338723 599009359 /nfs/dbraw/zinc/00/93/59/599009359.db2.gz LTRQMWMGVTUVND-NSHDSACASA-N -1 1 368.419 -0.017 20 0 FBADMM O=S(=O)(NCCN1CCSCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738339592 598777737 /nfs/dbraw/zinc/77/77/37/598777737.db2.gz SAFUPHAXIZFEKB-UHFFFAOYSA-N -1 1 355.449 -0.411 20 0 FBADMM O=S(=O)(NCCN1CCSCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738339592 598777735 /nfs/dbraw/zinc/77/77/35/598777735.db2.gz SAFUPHAXIZFEKB-UHFFFAOYSA-N -1 1 355.449 -0.411 20 0 FBADMM O=S(=O)(NCCc1nnc2n1CCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC000738339723 598269273 /nfs/dbraw/zinc/26/92/73/598269273.db2.gz VDCGQSIXDSMRGP-UHFFFAOYSA-N -1 1 361.391 -0.680 20 0 FBADMM O=S(=O)(NCCc1nnc2n1CCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC000738339723 598269271 /nfs/dbraw/zinc/26/92/71/598269271.db2.gz VDCGQSIXDSMRGP-UHFFFAOYSA-N -1 1 361.391 -0.680 20 0 FBADMM O=S(=O)(NCCOC[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738340043 599084139 /nfs/dbraw/zinc/08/41/39/599084139.db2.gz VTIINFSUEBCLSY-JTQLQIEISA-N -1 1 354.392 -0.264 20 0 FBADMM O=S(=O)(NCCOC[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738340043 599084135 /nfs/dbraw/zinc/08/41/35/599084135.db2.gz VTIINFSUEBCLSY-JTQLQIEISA-N -1 1 354.392 -0.264 20 0 FBADMM O=S(=O)(NCCOC[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738340047 599084020 /nfs/dbraw/zinc/08/40/20/599084020.db2.gz VTIINFSUEBCLSY-SNVBAGLBSA-N -1 1 354.392 -0.264 20 0 FBADMM O=S(=O)(NCCOC[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738340047 599084018 /nfs/dbraw/zinc/08/40/18/599084018.db2.gz VTIINFSUEBCLSY-SNVBAGLBSA-N -1 1 354.392 -0.264 20 0 FBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCn2c(nnc2C2CC2)C1 ZINC000738352729 598713686 /nfs/dbraw/zinc/71/36/86/598713686.db2.gz ADHLIINEWXYYIN-UHFFFAOYSA-N -1 1 373.402 -0.065 20 0 FBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCn2c(nnc2C2CC2)C1 ZINC000738352729 598713685 /nfs/dbraw/zinc/71/36/85/598713685.db2.gz ADHLIINEWXYYIN-UHFFFAOYSA-N -1 1 373.402 -0.065 20 0 FBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN(c2ncccn2)CC1 ZINC000738352866 598259722 /nfs/dbraw/zinc/25/97/22/598259722.db2.gz BIASCTJNGVMMQW-UHFFFAOYSA-N -1 1 373.402 -0.437 20 0 FBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN(c2ncccn2)CC1 ZINC000738352866 598259720 /nfs/dbraw/zinc/25/97/20/598259720.db2.gz BIASCTJNGVMMQW-UHFFFAOYSA-N -1 1 373.402 -0.437 20 0 FBADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCn2cnnc2C1 ZINC000738354150 598713557 /nfs/dbraw/zinc/71/35/57/598713557.db2.gz HSMXKARAUREZFQ-UHFFFAOYSA-N -1 1 350.339 -0.198 20 0 FBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC2(CC1)OCCO2 ZINC000738354645 598264989 /nfs/dbraw/zinc/26/49/89/598264989.db2.gz IZUPKAFNVFANHG-UHFFFAOYSA-N -1 1 352.376 -0.211 20 0 FBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC2(CC1)OCCO2 ZINC000738354645 598264988 /nfs/dbraw/zinc/26/49/88/598264988.db2.gz IZUPKAFNVFANHG-UHFFFAOYSA-N -1 1 352.376 -0.211 20 0 FBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN(CC(F)F)CC1 ZINC000738355205 598271289 /nfs/dbraw/zinc/27/12/89/598271289.db2.gz LJZAULPWYNBCND-UHFFFAOYSA-N -1 1 359.362 -0.167 20 0 FBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN(CC(F)F)CC1 ZINC000738355205 598271287 /nfs/dbraw/zinc/27/12/87/598271287.db2.gz LJZAULPWYNBCND-UHFFFAOYSA-N -1 1 359.362 -0.167 20 0 FBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN(c2cnccn2)CC1 ZINC000738355264 598264632 /nfs/dbraw/zinc/26/46/32/598264632.db2.gz MKLNSRVBMNMGCT-UHFFFAOYSA-N -1 1 373.402 -0.437 20 0 FBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN(c2cnccn2)CC1 ZINC000738355264 598264631 /nfs/dbraw/zinc/26/46/31/598264631.db2.gz MKLNSRVBMNMGCT-UHFFFAOYSA-N -1 1 373.402 -0.437 20 0 FBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN(c2cccnn2)CC1 ZINC000738355737 598272925 /nfs/dbraw/zinc/27/29/25/598272925.db2.gz QYCSAMXVVRBDBP-UHFFFAOYSA-N -1 1 373.402 -0.437 20 0 FBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN(c2cccnn2)CC1 ZINC000738355737 598272924 /nfs/dbraw/zinc/27/29/24/598272924.db2.gz QYCSAMXVVRBDBP-UHFFFAOYSA-N -1 1 373.402 -0.437 20 0 FBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000738356066 599301636 /nfs/dbraw/zinc/30/16/36/599301636.db2.gz WMCFSZFGGBZOKY-LLVKDONJSA-N -1 1 365.419 -0.643 20 0 FBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000738356066 599301633 /nfs/dbraw/zinc/30/16/33/599301633.db2.gz WMCFSZFGGBZOKY-LLVKDONJSA-N -1 1 365.419 -0.643 20 0 FBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](N2CCOCC2)C1 ZINC000738356071 599302056 /nfs/dbraw/zinc/30/20/56/599302056.db2.gz WMCFSZFGGBZOKY-NSHDSACASA-N -1 1 365.419 -0.643 20 0 FBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H](N2CCOCC2)C1 ZINC000738356071 599302053 /nfs/dbraw/zinc/30/20/53/599302053.db2.gz WMCFSZFGGBZOKY-NSHDSACASA-N -1 1 365.419 -0.643 20 0 FBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1Cn1cncn1 ZINC000738356210 598777436 /nfs/dbraw/zinc/77/74/36/598777436.db2.gz ZAPDTPNRODSCBI-JTQLQIEISA-N -1 1 361.391 -0.294 20 0 FBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1Cn1cncn1 ZINC000738356210 598777434 /nfs/dbraw/zinc/77/74/34/598777434.db2.gz ZAPDTPNRODSCBI-JTQLQIEISA-N -1 1 361.391 -0.294 20 0 FBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1Cn1cncn1 ZINC000738356212 598777818 /nfs/dbraw/zinc/77/78/18/598777818.db2.gz ZAPDTPNRODSCBI-SNVBAGLBSA-N -1 1 361.391 -0.294 20 0 FBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1Cn1cncn1 ZINC000738356212 598777817 /nfs/dbraw/zinc/77/78/17/598777817.db2.gz ZAPDTPNRODSCBI-SNVBAGLBSA-N -1 1 361.391 -0.294 20 0 FBADMM O=S(=O)(N[C@@H]1CCCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738356737 599274958 /nfs/dbraw/zinc/27/49/58/599274958.db2.gz IYQCYHUJQJOGIM-MRVPVSSYSA-N -1 1 358.405 -0.883 20 0 FBADMM O=S(=O)(N[C@@H]1CCCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738356737 599274957 /nfs/dbraw/zinc/27/49/57/599274957.db2.gz IYQCYHUJQJOGIM-MRVPVSSYSA-N -1 1 358.405 -0.883 20 0 FBADMM O=S(=O)(N[C@H]1CCCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738356738 599275006 /nfs/dbraw/zinc/27/50/06/599275006.db2.gz IYQCYHUJQJOGIM-QMMMGPOBSA-N -1 1 358.405 -0.883 20 0 FBADMM O=S(=O)(N[C@H]1CCCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738356738 599275005 /nfs/dbraw/zinc/27/50/05/599275005.db2.gz IYQCYHUJQJOGIM-QMMMGPOBSA-N -1 1 358.405 -0.883 20 0 FBADMM O=S1(=O)CCN(CCNc2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000738359525 598958658 /nfs/dbraw/zinc/95/86/58/598958658.db2.gz SOOGLRNCDQHRLB-UHFFFAOYSA-N -1 1 374.430 -0.048 20 0 FBADMM O=S1(=O)CCN(CCNc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000738359525 598958657 /nfs/dbraw/zinc/95/86/57/598958657.db2.gz SOOGLRNCDQHRLB-UHFFFAOYSA-N -1 1 374.430 -0.048 20 0 FBADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCS(=O)(=O)CC1 ZINC000738359545 598725049 /nfs/dbraw/zinc/72/50/49/598725049.db2.gz SUNKJBYPMRTDAA-UHFFFAOYSA-N -1 1 361.380 -0.575 20 0 FBADMM Cc1cc(N2CCN(CCC(=O)N(C)CC(=O)[O-])CC2)n2ncnc2n1 ZINC000738404920 600289403 /nfs/dbraw/zinc/28/94/03/600289403.db2.gz BWBLUZXJZTUCLP-UHFFFAOYSA-N -1 1 361.406 -0.512 20 0 FBADMM Cn1ncc2c1ncnc2N1CCN(C(=O)CNC(C)(C)C(=O)[O-])CC1 ZINC000738417169 599925393 /nfs/dbraw/zinc/92/53/93/599925393.db2.gz WKVCQBVGFVNJRN-UHFFFAOYSA-N -1 1 361.406 -0.535 20 0 FBADMM Cc1cc(NC(=O)CN2CCN(CCC(=O)N(C)CC(=O)[O-])CC2)no1 ZINC000738429645 600159264 /nfs/dbraw/zinc/15/92/64/600159264.db2.gz GAVOODORHXUUTR-UHFFFAOYSA-N -1 1 367.406 -0.528 20 0 FBADMM Cc1cc(NC(=O)CN2CCN(CCC(=O)NCC(=O)[O-])CC2)no1 ZINC000738429863 600159705 /nfs/dbraw/zinc/15/97/05/600159705.db2.gz MUWSSNNSNCIHAP-UHFFFAOYSA-N -1 1 353.379 -0.870 20 0 FBADMM c1nnc2ccc(N3CCN(c4nccnc4-c4nn[n-]n4)CC3)nn12 ZINC000738445746 598335244 /nfs/dbraw/zinc/33/52/44/598335244.db2.gz NKHBAYYXHGFOGM-UHFFFAOYSA-N -1 1 350.350 -0.579 20 0 FBADMM c1nnc2ccc(N3CCN(c4nccnc4-c4nnn[n-]4)CC3)nn12 ZINC000738445746 598335242 /nfs/dbraw/zinc/33/52/42/598335242.db2.gz NKHBAYYXHGFOGM-UHFFFAOYSA-N -1 1 350.350 -0.579 20 0 FBADMM c1cnc(N2CCc3ncnc(N4CCOCC4)c3C2)c(-c2nn[n-]n2)n1 ZINC000738446353 598352415 /nfs/dbraw/zinc/35/24/15/598352415.db2.gz WRKHRBIBWKYWBP-UHFFFAOYSA-N -1 1 366.389 -0.154 20 0 FBADMM c1cnc(N2CCc3ncnc(N4CCOCC4)c3C2)c(-c2nnn[n-]2)n1 ZINC000738446353 598352413 /nfs/dbraw/zinc/35/24/13/598352413.db2.gz WRKHRBIBWKYWBP-UHFFFAOYSA-N -1 1 366.389 -0.154 20 0 FBADMM O=C([O-])N1CCC[C@@H](C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000738486552 602769630 /nfs/dbraw/zinc/76/96/30/602769630.db2.gz JKOJCDBBWAAFMP-CABCVRRESA-N -1 1 354.451 -0.101 20 0 FBADMM O=C([O-])N1CCC[C@H](C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000738486553 602769590 /nfs/dbraw/zinc/76/95/90/602769590.db2.gz JKOJCDBBWAAFMP-GJZGRUSLSA-N -1 1 354.451 -0.101 20 0 FBADMM O=C([O-])N1CCC[C@@H](C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000738486554 602769842 /nfs/dbraw/zinc/76/98/42/602769842.db2.gz JKOJCDBBWAAFMP-HUUCEWRRSA-N -1 1 354.451 -0.101 20 0 FBADMM O=C([O-])N1CCC[C@H](C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000738486555 602769901 /nfs/dbraw/zinc/76/99/01/602769901.db2.gz JKOJCDBBWAAFMP-LSDHHAIUSA-N -1 1 354.451 -0.101 20 0 FBADMM O=C([O-])N1CCC(NC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000738487357 602828191 /nfs/dbraw/zinc/82/81/91/602828191.db2.gz VBVQCNVKYGZQSY-HNNXBMFYSA-N -1 1 369.466 -0.166 20 0 FBADMM O=C([O-])N1CCC(NC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000738487358 602828108 /nfs/dbraw/zinc/82/81/08/602828108.db2.gz VBVQCNVKYGZQSY-OAHLLOKOSA-N -1 1 369.466 -0.166 20 0 FBADMM O=C([O-])N1CCC(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000738487359 602769556 /nfs/dbraw/zinc/76/95/56/602769556.db2.gz VEAMLIKHIHIDOE-HNNXBMFYSA-N -1 1 354.451 -0.101 20 0 FBADMM O=C([O-])N1CCC(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000738487360 602769583 /nfs/dbraw/zinc/76/95/83/602769583.db2.gz VEAMLIKHIHIDOE-OAHLLOKOSA-N -1 1 354.451 -0.101 20 0 FBADMM O=C([O-])[C@H](N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccccc1 ZINC000738520540 600410410 /nfs/dbraw/zinc/41/04/10/600410410.db2.gz JACKKZKGVKHYLE-QLFBSQMISA-N -1 1 354.428 -0.100 20 0 FBADMM O=C([O-])[C@H](N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccccc1 ZINC000738520543 600410245 /nfs/dbraw/zinc/41/02/45/600410245.db2.gz JACKKZKGVKHYLE-RBSFLKMASA-N -1 1 354.428 -0.100 20 0 FBADMM O=C([O-])[C@H](N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccccc1 ZINC000738520546 600410231 /nfs/dbraw/zinc/41/02/31/600410231.db2.gz JACKKZKGVKHYLE-RRFJBIMHSA-N -1 1 354.428 -0.100 20 0 FBADMM O=C([O-])[C@H](N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccccc1 ZINC000738520548 600410400 /nfs/dbraw/zinc/41/04/00/600410400.db2.gz JACKKZKGVKHYLE-SOUVJXGZSA-N -1 1 354.428 -0.100 20 0 FBADMM O=C([O-])[C@@H]1CCCN(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000738537445 600497813 /nfs/dbraw/zinc/49/78/13/600497813.db2.gz HUQZOLAWTCLPEB-CABCVRRESA-N -1 1 354.451 -0.101 20 0 FBADMM O=C([O-])[C@H]1CCCN(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000738537446 600751797 /nfs/dbraw/zinc/75/17/97/600751797.db2.gz HUQZOLAWTCLPEB-GJZGRUSLSA-N -1 1 354.451 -0.101 20 0 FBADMM O=C([O-])[C@@H]1CCCN(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000738537447 600497723 /nfs/dbraw/zinc/49/77/23/600497723.db2.gz HUQZOLAWTCLPEB-HUUCEWRRSA-N -1 1 354.451 -0.101 20 0 FBADMM O=C([O-])[C@H]1CCCN(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000738537448 600751766 /nfs/dbraw/zinc/75/17/66/600751766.db2.gz HUQZOLAWTCLPEB-LSDHHAIUSA-N -1 1 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C[C@H](C(=O)N1CCCC1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000819856319 606730329 /nfs/dbraw/zinc/73/03/29/606730329.db2.gz IAOQJAXTJICFGX-GFCCVEGCSA-N -1 1 357.422 -0.210 20 0 FBADMM C[C@@H](C(=O)N1CCCC1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000819856320 606730434 /nfs/dbraw/zinc/73/04/34/606730434.db2.gz IAOQJAXTJICFGX-LBPRGKRZSA-N -1 1 357.422 -0.210 20 0 FBADMM C[C@@H](C(=O)N1CCCC1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000819856320 606730433 /nfs/dbraw/zinc/73/04/33/606730433.db2.gz IAOQJAXTJICFGX-LBPRGKRZSA-N -1 1 357.422 -0.210 20 0 FBADMM C[C@H](C(=O)OC(C)(C)C)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000819883562 606301403 /nfs/dbraw/zinc/30/14/03/606301403.db2.gz IALBVSFJQBPHKX-MRVPVSSYSA-N -1 1 365.394 -0.570 20 0 FBADMM C[C@@H](C(=O)OC(C)(C)C)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000819883563 606301388 /nfs/dbraw/zinc/30/13/88/606301388.db2.gz IALBVSFJQBPHKX-QMMMGPOBSA-N -1 1 365.394 -0.570 20 0 FBADMM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000819884001 606169527 /nfs/dbraw/zinc/16/95/27/606169527.db2.gz QFXJIJFOUWOMON-HTQZYQBOSA-N -1 1 356.412 -0.115 20 0 FBADMM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000819884001 606169526 /nfs/dbraw/zinc/16/95/26/606169526.db2.gz QFXJIJFOUWOMON-HTQZYQBOSA-N -1 1 356.412 -0.115 20 0 FBADMM C[C@H]([C@H](C)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1)S(C)(=O)=O ZINC000819884002 606169521 /nfs/dbraw/zinc/16/95/21/606169521.db2.gz QFXJIJFOUWOMON-JGVFFNPUSA-N -1 1 356.412 -0.115 20 0 FBADMM C[C@H]([C@H](C)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1)S(C)(=O)=O ZINC000819884002 606169520 /nfs/dbraw/zinc/16/95/20/606169520.db2.gz QFXJIJFOUWOMON-JGVFFNPUSA-N -1 1 356.412 -0.115 20 0 FBADMM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000819884003 606169151 /nfs/dbraw/zinc/16/91/51/606169151.db2.gz QFXJIJFOUWOMON-SFYZADRCSA-N -1 1 356.412 -0.115 20 0 FBADMM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000819884003 606169149 /nfs/dbraw/zinc/16/91/49/606169149.db2.gz QFXJIJFOUWOMON-SFYZADRCSA-N -1 1 356.412 -0.115 20 0 FBADMM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000819884004 606169460 /nfs/dbraw/zinc/16/94/60/606169460.db2.gz QFXJIJFOUWOMON-YUMQZZPRSA-N -1 1 356.412 -0.115 20 0 FBADMM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000819884004 606169459 /nfs/dbraw/zinc/16/94/59/606169459.db2.gz QFXJIJFOUWOMON-YUMQZZPRSA-N -1 1 356.412 -0.115 20 0 FBADMM CCn1nc(C)c(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)NC)n1 ZINC000819891354 661070906 /nfs/dbraw/zinc/07/09/06/661070906.db2.gz VAQJZYSDSNJOKL-UHFFFAOYSA-N -1 1 373.460 -0.007 20 0 FBADMM CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000819892154 607215119 /nfs/dbraw/zinc/21/51/19/607215119.db2.gz WTPNFTBFTYPJTI-JTQLQIEISA-N -1 1 361.410 -0.389 20 0 FBADMM CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000819892155 607215104 /nfs/dbraw/zinc/21/51/04/607215104.db2.gz WTPNFTBFTYPJTI-SNVBAGLBSA-N -1 1 361.410 -0.389 20 0 FBADMM CC(C)(C)CC(=O)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000819907058 607206942 /nfs/dbraw/zinc/20/69/42/607206942.db2.gz LSTNAYSLRGNEJJ-UHFFFAOYSA-N -1 1 361.410 -0.435 20 0 FBADMM CC(C)(C)N1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1=O ZINC000819914608 606432721 /nfs/dbraw/zinc/43/27/21/606432721.db2.gz ZFGKOGZRJKRXCR-SECBINFHSA-N -1 1 365.419 -0.061 20 0 FBADMM CC(C)(C)N1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1=O ZINC000819914608 606432720 /nfs/dbraw/zinc/43/27/20/606432720.db2.gz ZFGKOGZRJKRXCR-SECBINFHSA-N -1 1 365.419 -0.061 20 0 FBADMM CC(C)(C)N1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1=O ZINC000819914609 606432712 /nfs/dbraw/zinc/43/27/12/606432712.db2.gz ZFGKOGZRJKRXCR-VIFPVBQESA-N -1 1 365.419 -0.061 20 0 FBADMM CC(C)(C)N1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1=O ZINC000819914609 606432711 /nfs/dbraw/zinc/43/27/11/606432711.db2.gz ZFGKOGZRJKRXCR-VIFPVBQESA-N -1 1 365.419 -0.061 20 0 FBADMM CC(C)(C)OC(=O)[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CCO1 ZINC000819921994 607220656 /nfs/dbraw/zinc/22/06/56/607220656.db2.gz DGMIHDCUEQEACG-SECBINFHSA-N -1 1 364.366 -0.973 20 0 FBADMM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CCO1 ZINC000819921995 607220501 /nfs/dbraw/zinc/22/05/01/607220501.db2.gz DGMIHDCUEQEACG-VIFPVBQESA-N -1 1 364.366 -0.973 20 0 FBADMM CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000819922270 607212410 /nfs/dbraw/zinc/21/24/10/607212410.db2.gz JCCSXKWQEVYLNM-MRVPVSSYSA-N -1 1 365.423 -0.726 20 0 FBADMM CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000819922271 607212413 /nfs/dbraw/zinc/21/24/13/607212413.db2.gz JCCSXKWQEVYLNM-QMMMGPOBSA-N -1 1 365.423 -0.726 20 0 FBADMM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000819933104 607215486 /nfs/dbraw/zinc/21/54/86/607215486.db2.gz FYPBMOUSJOZTCJ-SECBINFHSA-N -1 1 363.382 -0.416 20 0 FBADMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000819933105 607215606 /nfs/dbraw/zinc/21/56/06/607215606.db2.gz FYPBMOUSJOZTCJ-VIFPVBQESA-N -1 1 363.382 -0.416 20 0 FBADMM CC(C)(C)OC(=O)N1CC(OCC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000819933177 606196317 /nfs/dbraw/zinc/19/63/17/606196317.db2.gz IRTLJGQKPWEJDQ-UHFFFAOYSA-N -1 1 364.366 -0.079 20 0 FBADMM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000819933459 607146219 /nfs/dbraw/zinc/14/62/19/607146219.db2.gz SFQQDCPWAGPKGK-SECBINFHSA-N -1 1 364.366 -0.079 20 0 FBADMM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000819933460 607146632 /nfs/dbraw/zinc/14/66/32/607146632.db2.gz SFQQDCPWAGPKGK-VIFPVBQESA-N -1 1 364.366 -0.079 20 0 FBADMM CC(C)(C)OC(=O)NCCCNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000819939766 607213798 /nfs/dbraw/zinc/21/37/98/607213798.db2.gz JFSYBIRHEFVGKG-UHFFFAOYSA-N -1 1 351.371 -0.511 20 0 FBADMM CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000819940061 607224135 /nfs/dbraw/zinc/22/41/35/607224135.db2.gz OLWWHOPJMQBTGH-SECBINFHSA-N -1 1 363.382 -0.416 20 0 FBADMM CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000819940062 607237221 /nfs/dbraw/zinc/23/72/21/607237221.db2.gz OLWWHOPJMQBTGH-VIFPVBQESA-N -1 1 363.382 -0.416 20 0 FBADMM Cn1ccc(=O)n(CCCNC(=O)c2ccc3n[n-]c(=S)n3c2)c1=O ZINC000819944369 661071730 /nfs/dbraw/zinc/07/17/30/661071730.db2.gz ZXATZNMFHDEYNF-UHFFFAOYSA-N -1 1 360.399 -0.302 20 0 FBADMM CC(C)(C)n1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)N2CCOCC2)n1 ZINC000819971616 607001084 /nfs/dbraw/zinc/00/10/84/607001084.db2.gz OMMQJWSROUCRBH-UHFFFAOYSA-N -1 1 356.412 -0.193 20 0 FBADMM CC(C)(C)OC(=O)NC(C)(C)CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000819980668 607220740 /nfs/dbraw/zinc/22/07/40/607220740.db2.gz HFZSYGAJKFSMOF-UHFFFAOYSA-N -1 1 365.398 -0.122 20 0 FBADMM CC(C)(CCS(C)(=O)=O)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000819980892 599371648 /nfs/dbraw/zinc/37/16/48/599371648.db2.gz IFUXOAUDDJRGHW-UHFFFAOYSA-N -1 1 374.448 -0.247 20 0 FBADMM CC(C)(CCS(C)(=O)=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000819980892 599371645 /nfs/dbraw/zinc/37/16/45/599371645.db2.gz IFUXOAUDDJRGHW-UHFFFAOYSA-N -1 1 374.448 -0.247 20 0 FBADMM CC(C)(C)OC(=O)NCC(C)(C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000819981499 607214009 /nfs/dbraw/zinc/21/40/09/607214009.db2.gz XHRSUVHURWAKFF-UHFFFAOYSA-N -1 1 365.398 -0.122 20 0 FBADMM CC(C)(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)S(C)(=O)=O ZINC000819984208 606403356 /nfs/dbraw/zinc/40/33/56/606403356.db2.gz RAIMRCCIBBJQDL-UHFFFAOYSA-N -1 1 360.421 -0.637 20 0 FBADMM CC(C)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)S(C)(=O)=O ZINC000819984208 606403354 /nfs/dbraw/zinc/40/33/54/606403354.db2.gz RAIMRCCIBBJQDL-UHFFFAOYSA-N -1 1 360.421 -0.637 20 0 FBADMM CC(C)(NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(=O)NCC1CCCC1 ZINC000819987661 607361818 /nfs/dbraw/zinc/36/18/18/607361818.db2.gz FKHLONHJMRJEKB-UHFFFAOYSA-N -1 1 361.410 -0.341 20 0 FBADMM CC(C)(NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(=O)Nc1ccccc1 ZINC000819987696 607214853 /nfs/dbraw/zinc/21/48/53/607214853.db2.gz GWXSGRSIMDXTCN-UHFFFAOYSA-N -1 1 355.362 -0.008 20 0 FBADMM CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NN1CC(=O)[N-]C1=O ZINC000820033632 599311249 /nfs/dbraw/zinc/31/12/49/599311249.db2.gz XXMKEEIJZVPHMR-GFCCVEGCSA-N -1 1 359.346 -0.147 20 0 FBADMM CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NN1CC(=O)[N-]C1=O ZINC000820033634 599310650 /nfs/dbraw/zinc/31/06/50/599310650.db2.gz XXMKEEIJZVPHMR-LBPRGKRZSA-N -1 1 359.346 -0.147 20 0 FBADMM CC(C)[C@@H](NCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C(=O)[O-] ZINC000820041294 598189019 /nfs/dbraw/zinc/18/90/19/598189019.db2.gz ACRAYEXTXNTVTK-CQSZACIVSA-N -1 1 355.416 -0.078 20 0 FBADMM CC(C)[C@@H](NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)C(=O)[O-] ZINC000820041373 598188713 /nfs/dbraw/zinc/18/87/13/598188713.db2.gz FGSQUFBBVQKQAW-GXTWGEPZSA-N -1 1 361.464 -0.984 20 0 FBADMM CC(C)[C@@H](NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C(=O)[O-] ZINC000820041374 598188830 /nfs/dbraw/zinc/18/88/30/598188830.db2.gz FGSQUFBBVQKQAW-TZMCWYRMSA-N -1 1 361.464 -0.984 20 0 FBADMM CC(C)[C@@H](NCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C(=O)[O-] ZINC000820041733 598188793 /nfs/dbraw/zinc/18/87/93/598188793.db2.gz PKTPGBNNPVNGOG-OAHLLOKOSA-N -1 1 356.467 -0.256 20 0 FBADMM CC(C)[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCS1 ZINC000820044319 599096351 /nfs/dbraw/zinc/09/63/51/599096351.db2.gz FMGXTWJILDGEGC-SECBINFHSA-N -1 1 351.436 -0.158 20 0 FBADMM CC(C)[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCS1 ZINC000820044320 599097508 /nfs/dbraw/zinc/09/75/08/599097508.db2.gz FMGXTWJILDGEGC-VIFPVBQESA-N -1 1 351.436 -0.158 20 0 FBADMM CC(C)C[C@H](CCO)CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820055600 599686265 /nfs/dbraw/zinc/68/62/65/599686265.db2.gz IPMRFECYHYRYFR-JTQLQIEISA-N -1 1 351.411 -0.279 20 0 FBADMM CC(C)C[C@@H](CCO)CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820055601 599686458 /nfs/dbraw/zinc/68/64/58/599686458.db2.gz IPMRFECYHYRYFR-SNVBAGLBSA-N -1 1 351.411 -0.279 20 0 FBADMM CC(C)CNC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820091818 606776793 /nfs/dbraw/zinc/77/67/93/606776793.db2.gz AYRMOYRUQXPRIL-GFCCVEGCSA-N -1 1 359.438 -0.061 20 0 FBADMM CC(C)CNC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820091818 606776791 /nfs/dbraw/zinc/77/67/91/606776791.db2.gz AYRMOYRUQXPRIL-GFCCVEGCSA-N -1 1 359.438 -0.061 20 0 FBADMM CC(C)CNC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820091819 606776890 /nfs/dbraw/zinc/77/68/90/606776890.db2.gz AYRMOYRUQXPRIL-LBPRGKRZSA-N -1 1 359.438 -0.061 20 0 FBADMM CC(C)CNC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820091819 606776889 /nfs/dbraw/zinc/77/68/89/606776889.db2.gz AYRMOYRUQXPRIL-LBPRGKRZSA-N -1 1 359.438 -0.061 20 0 FBADMM CC(C)CNC(=O)[C@H]1CSCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820093532 607211725 /nfs/dbraw/zinc/21/17/25/607211725.db2.gz YMPIZWOCDUQIDO-SECBINFHSA-N -1 1 365.423 -0.868 20 0 FBADMM CC(C)CNC(=O)[C@@H]1CSCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820093538 607211900 /nfs/dbraw/zinc/21/19/00/607211900.db2.gz YMPIZWOCDUQIDO-VIFPVBQESA-N -1 1 365.423 -0.868 20 0 FBADMM CC(C)COC(=O)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000820096794 607211909 /nfs/dbraw/zinc/21/19/09/607211909.db2.gz HCKJYEMVRVRXFI-UHFFFAOYSA-N -1 1 363.382 -0.605 20 0 FBADMM CC(C)Cn1ccnc1CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820107954 599580634 /nfs/dbraw/zinc/58/06/34/599580634.db2.gz DOLGQERVDLWBCA-UHFFFAOYSA-N -1 1 359.394 -0.271 20 0 FBADMM CC(C)C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(=O)OC(C)C ZINC000820108720 607217327 /nfs/dbraw/zinc/21/73/27/607217327.db2.gz PTKDLVIYHZAVSY-JTQLQIEISA-N -1 1 350.383 -0.059 20 0 FBADMM CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820112120 607211614 /nfs/dbraw/zinc/21/16/14/607211614.db2.gz KJGPQNYFUQXERF-SECBINFHSA-N -1 1 365.423 -0.774 20 0 FBADMM CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820112121 607211704 /nfs/dbraw/zinc/21/17/04/607211704.db2.gz KJGPQNYFUQXERF-VIFPVBQESA-N -1 1 365.423 -0.774 20 0 FBADMM CC(C)N1C(=O)C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1=O ZINC000820120659 606471350 /nfs/dbraw/zinc/47/13/50/606471350.db2.gz IFVRNHRJDQAITG-JTQLQIEISA-N -1 1 365.375 -0.924 20 0 FBADMM CC(C)N1C(=O)C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1=O ZINC000820120659 606471348 /nfs/dbraw/zinc/47/13/48/606471348.db2.gz IFVRNHRJDQAITG-JTQLQIEISA-N -1 1 365.375 -0.924 20 0 FBADMM CC(C)N1C(=O)C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1=O ZINC000820120660 606471315 /nfs/dbraw/zinc/47/13/15/606471315.db2.gz IFVRNHRJDQAITG-SNVBAGLBSA-N -1 1 365.375 -0.924 20 0 FBADMM CC(C)N1C(=O)C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1=O ZINC000820120660 606471313 /nfs/dbraw/zinc/47/13/13/606471313.db2.gz IFVRNHRJDQAITG-SNVBAGLBSA-N -1 1 365.375 -0.924 20 0 FBADMM CC(C)OC(=O)[C@H](C)CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820137799 599078987 /nfs/dbraw/zinc/07/89/87/599078987.db2.gz OJLSQOSIDCQOOF-MRVPVSSYSA-N -1 1 351.367 -0.736 20 0 FBADMM CC(C)OC(=O)[C@@H](C)CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820137801 599079689 /nfs/dbraw/zinc/07/96/89/599079689.db2.gz OJLSQOSIDCQOOF-QMMMGPOBSA-N -1 1 351.367 -0.736 20 0 FBADMM CC(C)NS(=O)(=O)CCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820138587 606171475 /nfs/dbraw/zinc/17/14/75/606171475.db2.gz YSTSWFVNJIWLTQ-UHFFFAOYSA-N -1 1 357.400 -0.951 20 0 FBADMM CC(C)NS(=O)(=O)CCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820138587 606171472 /nfs/dbraw/zinc/17/14/72/606171472.db2.gz YSTSWFVNJIWLTQ-UHFFFAOYSA-N -1 1 357.400 -0.951 20 0 FBADMM CC(C)OC(=O)[C@@H](C)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820142506 606830636 /nfs/dbraw/zinc/83/06/36/606830636.db2.gz OGXOFQFHYLHHAN-MRVPVSSYSA-N -1 1 351.367 -0.960 20 0 FBADMM CC(C)OC(=O)[C@H](C)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820142507 606830849 /nfs/dbraw/zinc/83/08/49/606830849.db2.gz OGXOFQFHYLHHAN-QMMMGPOBSA-N -1 1 351.367 -0.960 20 0 FBADMM CC(C)OC(=O)N1CCC(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000820142577 607216404 /nfs/dbraw/zinc/21/64/04/607216404.db2.gz PODBYUBCBUUZCH-UHFFFAOYSA-N -1 1 363.382 -0.416 20 0 FBADMM CC(C)Oc1ccc(NC(=O)C(=O)NCc2nn[n-]n2)cc1-c1nn[nH]n1 ZINC000820161345 607438378 /nfs/dbraw/zinc/43/83/78/607438378.db2.gz VYZIITCOSCGSEH-UHFFFAOYSA-N -1 1 372.349 -0.578 20 0 FBADMM CC(C)[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC000820183945 607223369 /nfs/dbraw/zinc/22/33/69/607223369.db2.gz OEULCAQMHOBVNM-JTQLQIEISA-N -1 1 350.383 -0.059 20 0 FBADMM CC(C)[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC000820183946 607224061 /nfs/dbraw/zinc/22/40/61/607224061.db2.gz OEULCAQMHOBVNM-SNVBAGLBSA-N -1 1 350.383 -0.059 20 0 FBADMM CC(C)c1nc2n(n1)C[C@H](NC(=O)Cn1cnc(-c3nn[n-]n3)n1)CC2 ZINC000820206595 607222919 /nfs/dbraw/zinc/22/29/19/607222919.db2.gz RMAGUVTVLOUWFS-SECBINFHSA-N -1 1 357.382 -0.696 20 0 FBADMM CC(C)c1nc2n(n1)C[C@@H](NC(=O)Cn1cnc(-c3nn[n-]n3)n1)CC2 ZINC000820206596 607222765 /nfs/dbraw/zinc/22/27/65/607222765.db2.gz RMAGUVTVLOUWFS-VIFPVBQESA-N -1 1 357.382 -0.696 20 0 FBADMM CC(C)c1ncc2c(n1)CN(C(=O)Cn1cnc(-c3nn[n-]n3)n1)CC2 ZINC000820206769 607219859 /nfs/dbraw/zinc/21/98/59/607219859.db2.gz ZZURPXXTOOKIOD-UHFFFAOYSA-N -1 1 354.378 -0.044 20 0 FBADMM CC(C)c1nncn1CCNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820211269 606061065 /nfs/dbraw/zinc/06/10/65/606061065.db2.gz GFDQRZMWVLALNA-UHFFFAOYSA-N -1 1 360.382 -0.909 20 0 FBADMM CC(C)n1ncc2c1C[C@H](NC(=O)Cn1cnc(-c3nn[n-]n3)n1)CC2 ZINC000820215092 607445832 /nfs/dbraw/zinc/44/58/32/607445832.db2.gz SNMQULLYIRPXKH-LLVKDONJSA-N -1 1 356.394 -0.091 20 0 FBADMM CC(C)n1ncc2c1C[C@@H](NC(=O)Cn1cnc(-c3nn[n-]n3)n1)CC2 ZINC000820215093 607446002 /nfs/dbraw/zinc/44/60/02/607446002.db2.gz SNMQULLYIRPXKH-NSHDSACASA-N -1 1 356.394 -0.091 20 0 FBADMM C[C@H](C[C@H](O)c1ccco1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820231586 607045292 /nfs/dbraw/zinc/04/52/92/607045292.db2.gz BTOMOONYYBTFGM-BDAKNGLRSA-N -1 1 361.362 -0.219 20 0 FBADMM C[C@@H](C[C@@H](O)c1ccco1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820231587 607045598 /nfs/dbraw/zinc/04/55/98/607045598.db2.gz BTOMOONYYBTFGM-DTWKUNHWSA-N -1 1 361.362 -0.219 20 0 FBADMM C[C@@H](C[C@H](O)c1ccco1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820231588 607045603 /nfs/dbraw/zinc/04/56/03/607045603.db2.gz BTOMOONYYBTFGM-IUCAKERBSA-N -1 1 361.362 -0.219 20 0 FBADMM C[C@H](C[C@@H](O)c1ccco1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820231589 607045299 /nfs/dbraw/zinc/04/52/99/607045299.db2.gz BTOMOONYYBTFGM-RKDXNWHRSA-N -1 1 361.362 -0.219 20 0 FBADMM C[C@H](CCNC(=O)Cn1cnc(-c2nn[n-]n2)n1)NC(=O)OC(C)(C)C ZINC000820240013 607212518 /nfs/dbraw/zinc/21/25/18/607212518.db2.gz BKUFOZFFDKDVKS-SECBINFHSA-N -1 1 365.398 -0.122 20 0 FBADMM C[C@@H](CCNC(=O)Cn1cnc(-c2nn[n-]n2)n1)NC(=O)OC(C)(C)C ZINC000820240018 607212324 /nfs/dbraw/zinc/21/23/24/607212324.db2.gz BKUFOZFFDKDVKS-VIFPVBQESA-N -1 1 365.398 -0.122 20 0 FBADMM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820248607 606794340 /nfs/dbraw/zinc/79/43/40/606794340.db2.gz LCMZBRJUDWQJOM-MRVPVSSYSA-N -1 1 360.421 -0.637 20 0 FBADMM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820248607 606794338 /nfs/dbraw/zinc/79/43/38/606794338.db2.gz LCMZBRJUDWQJOM-MRVPVSSYSA-N -1 1 360.421 -0.637 20 0 FBADMM C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820248608 606794411 /nfs/dbraw/zinc/79/44/11/606794411.db2.gz LCMZBRJUDWQJOM-QMMMGPOBSA-N -1 1 360.421 -0.637 20 0 FBADMM C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820248608 606794409 /nfs/dbraw/zinc/79/44/09/606794409.db2.gz LCMZBRJUDWQJOM-QMMMGPOBSA-N -1 1 360.421 -0.637 20 0 FBADMM C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820269119 607216013 /nfs/dbraw/zinc/21/60/13/607216013.db2.gz HOQUAFTUKQZZAA-SECBINFHSA-N -1 1 365.398 -0.170 20 0 FBADMM C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820269120 607216157 /nfs/dbraw/zinc/21/61/57/607216157.db2.gz HOQUAFTUKQZZAA-VIFPVBQESA-N -1 1 365.398 -0.170 20 0 FBADMM C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820287319 606634770 /nfs/dbraw/zinc/63/47/70/606634770.db2.gz KWNQWYBHIVLWLF-NXEZZACHSA-N -1 1 354.392 -0.266 20 0 FBADMM C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820287319 606634769 /nfs/dbraw/zinc/63/47/69/606634769.db2.gz KWNQWYBHIVLWLF-NXEZZACHSA-N -1 1 354.392 -0.266 20 0 FBADMM C[C@@H](CO[C@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820287321 606634922 /nfs/dbraw/zinc/63/49/22/606634922.db2.gz KWNQWYBHIVLWLF-UWVGGRQHSA-N -1 1 354.392 -0.266 20 0 FBADMM C[C@@H](CO[C@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820287321 606634921 /nfs/dbraw/zinc/63/49/21/606634921.db2.gz KWNQWYBHIVLWLF-UWVGGRQHSA-N -1 1 354.392 -0.266 20 0 FBADMM C[C@@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820287323 606634919 /nfs/dbraw/zinc/63/49/19/606634919.db2.gz KWNQWYBHIVLWLF-VHSXEESVSA-N -1 1 354.392 -0.266 20 0 FBADMM C[C@@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820287323 606634918 /nfs/dbraw/zinc/63/49/18/606634918.db2.gz KWNQWYBHIVLWLF-VHSXEESVSA-N -1 1 354.392 -0.266 20 0 FBADMM C[C@H](CO[C@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820287324 606635008 /nfs/dbraw/zinc/63/50/08/606635008.db2.gz KWNQWYBHIVLWLF-ZJUUUORDSA-N -1 1 354.392 -0.266 20 0 FBADMM C[C@H](CO[C@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820287324 606635007 /nfs/dbraw/zinc/63/50/07/606635007.db2.gz KWNQWYBHIVLWLF-ZJUUUORDSA-N -1 1 354.392 -0.266 20 0 FBADMM C[C@@H](N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC000820306913 607221368 /nfs/dbraw/zinc/22/13/68/607221368.db2.gz HEZDPEBYBFWBTN-MRVPVSSYSA-N -1 1 359.316 -0.447 20 0 FBADMM C[C@H](N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC000820306914 607221235 /nfs/dbraw/zinc/22/12/35/607221235.db2.gz HEZDPEBYBFWBTN-QMMMGPOBSA-N -1 1 359.316 -0.447 20 0 FBADMM C[C@@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N(C)C ZINC000820326888 661075413 /nfs/dbraw/zinc/07/54/13/661075413.db2.gz BZAMWFVVVZGEIB-SSDOTTSWSA-N -1 1 352.376 -0.322 20 0 FBADMM C[C@@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N(C)C ZINC000820326888 661075410 /nfs/dbraw/zinc/07/54/10/661075410.db2.gz BZAMWFVVVZGEIB-SSDOTTSWSA-N -1 1 352.376 -0.322 20 0 FBADMM C[C@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N(C)C ZINC000820326889 661075357 /nfs/dbraw/zinc/07/53/57/661075357.db2.gz BZAMWFVVVZGEIB-ZETCQYMHSA-N -1 1 352.376 -0.322 20 0 FBADMM C[C@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N(C)C ZINC000820326889 661075355 /nfs/dbraw/zinc/07/53/55/661075355.db2.gz BZAMWFVVVZGEIB-ZETCQYMHSA-N -1 1 352.376 -0.322 20 0 FBADMM C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820329731 599526353 /nfs/dbraw/zinc/52/63/53/599526353.db2.gz ZEEIPJHLJIANQB-JTQLQIEISA-N -1 1 355.358 -0.016 20 0 FBADMM C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820329732 599526137 /nfs/dbraw/zinc/52/61/37/599526137.db2.gz ZEEIPJHLJIANQB-SNVBAGLBSA-N -1 1 355.358 -0.016 20 0 FBADMM C[C@@H](NC(=O)Cn1cccc(-c2nn[n-]n2)c1=O)C(=O)N1CCCCC1 ZINC000820333640 606824350 /nfs/dbraw/zinc/82/43/50/606824350.db2.gz FKYKUXZZOMZBQT-LLVKDONJSA-N -1 1 359.390 -0.454 20 0 FBADMM C[C@H](NC(=O)Cn1cccc(-c2nn[n-]n2)c1=O)C(=O)N1CCCCC1 ZINC000820333641 606824331 /nfs/dbraw/zinc/82/43/31/606824331.db2.gz FKYKUXZZOMZBQT-NSHDSACASA-N -1 1 359.390 -0.454 20 0 FBADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc2c(c1)CC(=O)N2C ZINC000820334066 607212954 /nfs/dbraw/zinc/21/29/54/607212954.db2.gz KEUURUDOZFXQFE-SECBINFHSA-N -1 1 367.373 -0.146 20 0 FBADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc2c(c1)CC(=O)N2C ZINC000820334067 607213041 /nfs/dbraw/zinc/21/30/41/607213041.db2.gz KEUURUDOZFXQFE-VIFPVBQESA-N -1 1 367.373 -0.146 20 0 FBADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(=O)NCc1ccccc1 ZINC000820334202 607210067 /nfs/dbraw/zinc/21/00/67/607210067.db2.gz LCHQXBQEQKHAJY-JTQLQIEISA-N -1 1 355.362 -0.721 20 0 FBADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(=O)NCc1ccccc1 ZINC000820334203 607210034 /nfs/dbraw/zinc/21/00/34/607210034.db2.gz LCHQXBQEQKHAJY-SNVBAGLBSA-N -1 1 355.362 -0.721 20 0 FBADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cn(-c2ccccc2)nn1 ZINC000820334529 607223535 /nfs/dbraw/zinc/22/35/35/607223535.db2.gz NBFLZBWTOVITGX-JTQLQIEISA-N -1 1 365.361 -0.084 20 0 FBADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cn(-c2ccccc2)nn1 ZINC000820334530 607223372 /nfs/dbraw/zinc/22/33/72/607223372.db2.gz NBFLZBWTOVITGX-SNVBAGLBSA-N -1 1 365.361 -0.084 20 0 FBADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820334985 607208183 /nfs/dbraw/zinc/20/81/83/607208183.db2.gz SBIXPEJKZJAPHE-SSDOTTSWSA-N -1 1 354.334 -0.083 20 0 FBADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820334986 607208047 /nfs/dbraw/zinc/20/80/47/607208047.db2.gz SBIXPEJKZJAPHE-ZETCQYMHSA-N -1 1 354.334 -0.083 20 0 FBADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(-n2cncn2)cc1 ZINC000820335398 607205841 /nfs/dbraw/zinc/20/58/41/607205841.db2.gz XVJDJNWRFWBNHK-JTQLQIEISA-N -1 1 365.361 -0.084 20 0 FBADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(-n2cncn2)cc1 ZINC000820335399 607205891 /nfs/dbraw/zinc/20/58/91/607205891.db2.gz XVJDJNWRFWBNHK-SNVBAGLBSA-N -1 1 365.361 -0.084 20 0 FBADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(NC(N)=O)cc1 ZINC000820335479 607208011 /nfs/dbraw/zinc/20/80/11/607208011.db2.gz YVMIZEJQLVDITO-MRVPVSSYSA-N -1 1 356.350 -0.174 20 0 FBADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(NC(N)=O)cc1 ZINC000820335483 607208098 /nfs/dbraw/zinc/20/80/98/607208098.db2.gz YVMIZEJQLVDITO-QMMMGPOBSA-N -1 1 356.350 -0.174 20 0 FBADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CN(C)CCO1 ZINC000820444268 607259628 /nfs/dbraw/zinc/25/96/28/607259628.db2.gz IAEKWLUHVQEHLU-BXKDBHETSA-N -1 1 353.408 -0.741 20 0 FBADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CN(C)CCO1 ZINC000820444268 607259627 /nfs/dbraw/zinc/25/96/27/607259627.db2.gz IAEKWLUHVQEHLU-BXKDBHETSA-N -1 1 353.408 -0.741 20 0 FBADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CN(C)CCO1 ZINC000820444270 607259711 /nfs/dbraw/zinc/25/97/11/607259711.db2.gz IAEKWLUHVQEHLU-CABZTGNLSA-N -1 1 353.408 -0.741 20 0 FBADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CN(C)CCO1 ZINC000820444270 607259710 /nfs/dbraw/zinc/25/97/10/607259710.db2.gz IAEKWLUHVQEHLU-CABZTGNLSA-N -1 1 353.408 -0.741 20 0 FBADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CN(C)CCO1 ZINC000820444271 607259652 /nfs/dbraw/zinc/25/96/52/607259652.db2.gz IAEKWLUHVQEHLU-JOYOIKCWSA-N -1 1 353.408 -0.741 20 0 FBADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CN(C)CCO1 ZINC000820444271 607259651 /nfs/dbraw/zinc/25/96/51/607259651.db2.gz IAEKWLUHVQEHLU-JOYOIKCWSA-N -1 1 353.408 -0.741 20 0 FBADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CN(C)CCO1 ZINC000820444272 607259533 /nfs/dbraw/zinc/25/95/33/607259533.db2.gz IAEKWLUHVQEHLU-SKDRFNHKSA-N -1 1 353.408 -0.741 20 0 FBADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CN(C)CCO1 ZINC000820444272 607259532 /nfs/dbraw/zinc/25/95/32/607259532.db2.gz IAEKWLUHVQEHLU-SKDRFNHKSA-N -1 1 353.408 -0.741 20 0 FBADMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1nnc2n1CCCC2 ZINC000820451670 607027379 /nfs/dbraw/zinc/02/73/79/607027379.db2.gz WPTMNFVBSJLCRQ-MRVPVSSYSA-N -1 1 372.393 -0.635 20 0 FBADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1nnc2n1CCCC2 ZINC000820451677 607027201 /nfs/dbraw/zinc/02/72/01/607027201.db2.gz WPTMNFVBSJLCRQ-QMMMGPOBSA-N -1 1 372.393 -0.635 20 0 FBADMM C[C@](O)(CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(F)cc1F ZINC000820468492 607220681 /nfs/dbraw/zinc/22/06/81/607220681.db2.gz UOOMEBBMGQODFV-AWEZNQCLSA-N -1 1 364.316 -0.240 20 0 FBADMM C[C@@](O)(CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(F)cc1F ZINC000820468498 607220613 /nfs/dbraw/zinc/22/06/13/607220613.db2.gz UOOMEBBMGQODFV-CQSZACIVSA-N -1 1 364.316 -0.240 20 0 FBADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000820539215 598087129 /nfs/dbraw/zinc/08/71/29/598087129.db2.gz HETJAYOVDDCERJ-UHFFFAOYSA-N -1 1 351.425 -0.982 20 0 FBADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000820539289 597704710 /nfs/dbraw/zinc/70/47/10/597704710.db2.gz KAJWWVQUAYNEBF-UHFFFAOYSA-N -1 1 361.464 -0.335 20 0 FBADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000820539345 597369320 /nfs/dbraw/zinc/36/93/20/597369320.db2.gz NDOPEZUQAYZFEV-UHFFFAOYSA-N -1 1 360.436 -0.129 20 0 FBADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000820539425 598172508 /nfs/dbraw/zinc/17/25/08/598172508.db2.gz OISUZWNMXQRXQQ-UHFFFAOYSA-N -1 1 360.436 -0.636 20 0 FBADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1Cn1cncn1 ZINC000820539852 597697826 /nfs/dbraw/zinc/69/78/26/597697826.db2.gz ZBJNKWUTBLNHPF-UHFFFAOYSA-N -1 1 367.431 -0.037 20 0 FBADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000820539893 598221066 /nfs/dbraw/zinc/22/10/66/598221066.db2.gz ZYCLPCFHYCPHJO-UHFFFAOYSA-N -1 1 369.443 -0.211 20 0 FBADMM C[C@H](c1cccnc1)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000820570132 607217354 /nfs/dbraw/zinc/21/73/54/607217354.db2.gz DTJKTCNGWXQDHW-GFCCVEGCSA-N -1 1 368.405 -0.241 20 0 FBADMM C[C@@H](c1cccnc1)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000820570134 607217213 /nfs/dbraw/zinc/21/72/13/607217213.db2.gz DTJKTCNGWXQDHW-LBPRGKRZSA-N -1 1 368.405 -0.241 20 0 FBADMM CC1(C)CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCS1(=O)=O ZINC000820601211 606847326 /nfs/dbraw/zinc/84/73/26/606847326.db2.gz DZEBMUXQDAYGJA-UHFFFAOYSA-N -1 1 372.432 -0.541 20 0 FBADMM CC1(C)CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCS1(=O)=O ZINC000820601211 606847325 /nfs/dbraw/zinc/84/73/25/606847325.db2.gz DZEBMUXQDAYGJA-UHFFFAOYSA-N -1 1 372.432 -0.541 20 0 FBADMM C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ncc(-c3nn[n-]n3)s2)C1=O ZINC000820607176 661077008 /nfs/dbraw/zinc/07/70/08/661077008.db2.gz LLVJWDKTPKSHOA-CYBMUJFWSA-N -1 1 362.375 -0.018 20 0 FBADMM C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ncc(-c3nnn[n-]3)s2)C1=O ZINC000820607176 661077005 /nfs/dbraw/zinc/07/70/05/661077005.db2.gz LLVJWDKTPKSHOA-CYBMUJFWSA-N -1 1 362.375 -0.018 20 0 FBADMM C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ncc(-c3nn[n-]n3)s2)C1=O ZINC000820607177 661076906 /nfs/dbraw/zinc/07/69/06/661076906.db2.gz LLVJWDKTPKSHOA-ZDUSSCGKSA-N -1 1 362.375 -0.018 20 0 FBADMM C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ncc(-c3nnn[n-]3)s2)C1=O ZINC000820607177 661076904 /nfs/dbraw/zinc/07/69/04/661076904.db2.gz LLVJWDKTPKSHOA-ZDUSSCGKSA-N -1 1 362.375 -0.018 20 0 FBADMM C[C@@H]1CC(=O)NCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820641566 599355833 /nfs/dbraw/zinc/35/58/33/599355833.db2.gz DICJBHBXGCSQLN-MRVPVSSYSA-N -1 1 354.367 -0.095 20 0 FBADMM C[C@H]1CC(=O)NCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820641577 599355700 /nfs/dbraw/zinc/35/57/00/599355700.db2.gz DICJBHBXGCSQLN-QMMMGPOBSA-N -1 1 354.367 -0.095 20 0 FBADMM C[C@@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC000820643257 606769162 /nfs/dbraw/zinc/76/91/62/606769162.db2.gz SOIGRRXLPJVQSS-NEPJUHHUSA-N -1 1 357.422 -0.007 20 0 FBADMM C[C@@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC000820643257 606769161 /nfs/dbraw/zinc/76/91/61/606769161.db2.gz SOIGRRXLPJVQSS-NEPJUHHUSA-N -1 1 357.422 -0.007 20 0 FBADMM C[C@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC000820643258 606768997 /nfs/dbraw/zinc/76/89/97/606768997.db2.gz SOIGRRXLPJVQSS-NWDGAFQWSA-N -1 1 357.422 -0.007 20 0 FBADMM C[C@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC000820643258 606768995 /nfs/dbraw/zinc/76/89/95/606768995.db2.gz SOIGRRXLPJVQSS-NWDGAFQWSA-N -1 1 357.422 -0.007 20 0 FBADMM C[C@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC000820643259 606769215 /nfs/dbraw/zinc/76/92/15/606769215.db2.gz SOIGRRXLPJVQSS-RYUDHWBXSA-N -1 1 357.422 -0.007 20 0 FBADMM C[C@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC000820643259 606769214 /nfs/dbraw/zinc/76/92/14/606769214.db2.gz SOIGRRXLPJVQSS-RYUDHWBXSA-N -1 1 357.422 -0.007 20 0 FBADMM C[C@@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC000820643260 606769167 /nfs/dbraw/zinc/76/91/67/606769167.db2.gz SOIGRRXLPJVQSS-VXGBXAGGSA-N -1 1 357.422 -0.007 20 0 FBADMM C[C@@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC000820643260 606769166 /nfs/dbraw/zinc/76/91/66/606769166.db2.gz SOIGRRXLPJVQSS-VXGBXAGGSA-N -1 1 357.422 -0.007 20 0 FBADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C(=O)N1c1cnn(C)c1 ZINC000820657649 599211833 /nfs/dbraw/zinc/21/18/33/599211833.db2.gz LZIYKLHBCUBYFD-NOZJJQNGSA-N -1 1 367.373 -0.081 20 0 FBADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C(=O)N1c1cnn(C)c1 ZINC000820657649 599211830 /nfs/dbraw/zinc/21/18/30/599211830.db2.gz LZIYKLHBCUBYFD-NOZJJQNGSA-N -1 1 367.373 -0.081 20 0 FBADMM C[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C(=O)N1c1cnn(C)c1 ZINC000820657651 599212025 /nfs/dbraw/zinc/21/20/25/599212025.db2.gz LZIYKLHBCUBYFD-RNCFNFMXSA-N -1 1 367.373 -0.081 20 0 FBADMM C[C@@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C(=O)N1c1cnn(C)c1 ZINC000820657651 599212023 /nfs/dbraw/zinc/21/20/23/599212023.db2.gz LZIYKLHBCUBYFD-RNCFNFMXSA-N -1 1 367.373 -0.081 20 0 FBADMM C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C(=O)N1c1cnn(C)c1 ZINC000820657653 599211606 /nfs/dbraw/zinc/21/16/06/599211606.db2.gz LZIYKLHBCUBYFD-TVQRCGJNSA-N -1 1 367.373 -0.081 20 0 FBADMM C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C(=O)N1c1cnn(C)c1 ZINC000820657653 599211603 /nfs/dbraw/zinc/21/16/03/599211603.db2.gz LZIYKLHBCUBYFD-TVQRCGJNSA-N -1 1 367.373 -0.081 20 0 FBADMM C[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C(=O)N1c1cnn(C)c1 ZINC000820657655 599211423 /nfs/dbraw/zinc/21/14/23/599211423.db2.gz LZIYKLHBCUBYFD-ZANVPECISA-N -1 1 367.373 -0.081 20 0 FBADMM C[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C(=O)N1c1cnn(C)c1 ZINC000820657655 599211421 /nfs/dbraw/zinc/21/14/21/599211421.db2.gz LZIYKLHBCUBYFD-ZANVPECISA-N -1 1 367.373 -0.081 20 0 FBADMM C[C@H]1C[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C(=O)N1c1ccccc1 ZINC000820659453 607219274 /nfs/dbraw/zinc/21/92/74/607219274.db2.gz XLKVDDZICIOGBD-CMPLNLGQSA-N -1 1 367.373 -0.232 20 0 FBADMM C[C@H]1C[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C(=O)N1c1ccccc1 ZINC000820659454 607219461 /nfs/dbraw/zinc/21/94/61/607219461.db2.gz XLKVDDZICIOGBD-JQWIXIFHSA-N -1 1 367.373 -0.232 20 0 FBADMM C[C@@H]1C[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C(=O)N1c1ccccc1 ZINC000820659455 607219259 /nfs/dbraw/zinc/21/92/59/607219259.db2.gz XLKVDDZICIOGBD-PWSUYJOCSA-N -1 1 367.373 -0.232 20 0 FBADMM C[C@@H]1C[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C(=O)N1c1ccccc1 ZINC000820659456 607219865 /nfs/dbraw/zinc/21/98/65/607219865.db2.gz XLKVDDZICIOGBD-ZYHUDNBSSA-N -1 1 367.373 -0.232 20 0 FBADMM C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1=O ZINC000820675514 599374474 /nfs/dbraw/zinc/37/44/74/599374474.db2.gz JXSJVIZHLCLQIT-KBVBSXBZSA-N -1 1 363.403 -0.451 20 0 FBADMM C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1=O ZINC000820675514 599374470 /nfs/dbraw/zinc/37/44/70/599374470.db2.gz JXSJVIZHLCLQIT-KBVBSXBZSA-N -1 1 363.403 -0.451 20 0 FBADMM C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1=O ZINC000820675515 599374380 /nfs/dbraw/zinc/37/43/80/599374380.db2.gz JXSJVIZHLCLQIT-LNLATYFQSA-N -1 1 363.403 -0.451 20 0 FBADMM C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1=O ZINC000820675515 599374378 /nfs/dbraw/zinc/37/43/78/599374378.db2.gz JXSJVIZHLCLQIT-LNLATYFQSA-N -1 1 363.403 -0.451 20 0 FBADMM C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1=O ZINC000820675516 599373874 /nfs/dbraw/zinc/37/38/74/599373874.db2.gz JXSJVIZHLCLQIT-PTRXPTGYSA-N -1 1 363.403 -0.451 20 0 FBADMM C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1=O ZINC000820675516 599373873 /nfs/dbraw/zinc/37/38/73/599373873.db2.gz JXSJVIZHLCLQIT-PTRXPTGYSA-N -1 1 363.403 -0.451 20 0 FBADMM C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1=O ZINC000820675517 599373920 /nfs/dbraw/zinc/37/39/20/599373920.db2.gz JXSJVIZHLCLQIT-VDDIYKPWSA-N -1 1 363.403 -0.451 20 0 FBADMM C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1=O ZINC000820675517 599373918 /nfs/dbraw/zinc/37/39/18/599373918.db2.gz JXSJVIZHLCLQIT-VDDIYKPWSA-N -1 1 363.403 -0.451 20 0 FBADMM Cn1cc(S(=O)(=O)[N-]Cc2nc3ccccc3o2)c(=O)n(C)c1=O ZINC000820720109 661077548 /nfs/dbraw/zinc/07/75/48/661077548.db2.gz GVTZVUJARBHSEN-UHFFFAOYSA-N -1 1 350.356 -0.296 20 0 FBADMM C[C@@H]1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@H]1n1ccnc1 ZINC000820726826 607046672 /nfs/dbraw/zinc/04/66/72/607046672.db2.gz BXOHWXUYYPMNPD-GHMZBOCLSA-N -1 1 371.405 -0.452 20 0 FBADMM C[C@@H]1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@@H]1n1ccnc1 ZINC000820726827 607046659 /nfs/dbraw/zinc/04/66/59/607046659.db2.gz BXOHWXUYYPMNPD-MNOVXSKESA-N -1 1 371.405 -0.452 20 0 FBADMM C[C@H]1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@@H]1n1ccnc1 ZINC000820726830 607046928 /nfs/dbraw/zinc/04/69/28/607046928.db2.gz BXOHWXUYYPMNPD-QWRGUYRKSA-N -1 1 371.405 -0.452 20 0 FBADMM C[C@H]1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@H]1n1ccnc1 ZINC000820726832 607047051 /nfs/dbraw/zinc/04/70/51/607047051.db2.gz BXOHWXUYYPMNPD-WDEREUQCSA-N -1 1 371.405 -0.452 20 0 FBADMM NS(=O)(=O)c1ccc(C[N-]S(=O)(=O)N=S2(=O)CCCC2)cc1 ZINC000820747872 661077832 /nfs/dbraw/zinc/07/78/32/661077832.db2.gz ASNVJWOZYJSVDO-UHFFFAOYSA-N -1 1 367.474 -0.070 20 0 FBADMM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820766239 606584353 /nfs/dbraw/zinc/58/43/53/606584353.db2.gz AVALMXPOZICDPS-GXSJLCMTSA-N -1 1 365.419 -0.339 20 0 FBADMM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820766239 606584352 /nfs/dbraw/zinc/58/43/52/606584352.db2.gz AVALMXPOZICDPS-GXSJLCMTSA-N -1 1 365.419 -0.339 20 0 FBADMM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820766241 606584612 /nfs/dbraw/zinc/58/46/12/606584612.db2.gz AVALMXPOZICDPS-KOLCDFICSA-N -1 1 365.419 -0.339 20 0 FBADMM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820766241 606584610 /nfs/dbraw/zinc/58/46/10/606584610.db2.gz AVALMXPOZICDPS-KOLCDFICSA-N -1 1 365.419 -0.339 20 0 FBADMM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820766243 606584339 /nfs/dbraw/zinc/58/43/39/606584339.db2.gz AVALMXPOZICDPS-MWLCHTKSSA-N -1 1 365.419 -0.339 20 0 FBADMM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820766243 606584338 /nfs/dbraw/zinc/58/43/38/606584338.db2.gz AVALMXPOZICDPS-MWLCHTKSSA-N -1 1 365.419 -0.339 20 0 FBADMM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820766245 606584299 /nfs/dbraw/zinc/58/42/99/606584299.db2.gz AVALMXPOZICDPS-ONGXEEELSA-N -1 1 365.419 -0.339 20 0 FBADMM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820766245 606584297 /nfs/dbraw/zinc/58/42/97/606584297.db2.gz AVALMXPOZICDPS-ONGXEEELSA-N -1 1 365.419 -0.339 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1COCCO1 ZINC000820774440 606823114 /nfs/dbraw/zinc/82/31/14/606823114.db2.gz CWPMGZNLQQDUMW-GHMZBOCLSA-N -1 1 360.378 -0.891 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1COCCO1 ZINC000820774440 606823112 /nfs/dbraw/zinc/82/31/12/606823112.db2.gz CWPMGZNLQQDUMW-GHMZBOCLSA-N -1 1 360.378 -0.891 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1COCCO1 ZINC000820774441 606823259 /nfs/dbraw/zinc/82/32/59/606823259.db2.gz CWPMGZNLQQDUMW-MNOVXSKESA-N -1 1 360.378 -0.891 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1COCCO1 ZINC000820774441 606823257 /nfs/dbraw/zinc/82/32/57/606823257.db2.gz CWPMGZNLQQDUMW-MNOVXSKESA-N -1 1 360.378 -0.891 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1COCCO1 ZINC000820774442 606823010 /nfs/dbraw/zinc/82/30/10/606823010.db2.gz CWPMGZNLQQDUMW-QWRGUYRKSA-N -1 1 360.378 -0.891 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1COCCO1 ZINC000820774442 606823009 /nfs/dbraw/zinc/82/30/09/606823009.db2.gz CWPMGZNLQQDUMW-QWRGUYRKSA-N -1 1 360.378 -0.891 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1COCCO1 ZINC000820774443 606823289 /nfs/dbraw/zinc/82/32/89/606823289.db2.gz CWPMGZNLQQDUMW-WDEREUQCSA-N -1 1 360.378 -0.891 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1COCCO1 ZINC000820774443 606823288 /nfs/dbraw/zinc/82/32/88/606823288.db2.gz CWPMGZNLQQDUMW-WDEREUQCSA-N -1 1 360.378 -0.891 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1cnn(C)c1 ZINC000820774558 606819424 /nfs/dbraw/zinc/81/94/24/606819424.db2.gz FRQRPPFMIDPFSN-LLVKDONJSA-N -1 1 368.405 -0.330 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1cnn(C)c1 ZINC000820774558 606819423 /nfs/dbraw/zinc/81/94/23/606819423.db2.gz FRQRPPFMIDPFSN-LLVKDONJSA-N -1 1 368.405 -0.330 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1cnn(C)c1 ZINC000820774559 606819373 /nfs/dbraw/zinc/81/93/73/606819373.db2.gz FRQRPPFMIDPFSN-NSHDSACASA-N -1 1 368.405 -0.330 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1cnn(C)c1 ZINC000820774559 606819372 /nfs/dbraw/zinc/81/93/72/606819372.db2.gz FRQRPPFMIDPFSN-NSHDSACASA-N -1 1 368.405 -0.330 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cn1cccn1 ZINC000820775552 606824874 /nfs/dbraw/zinc/82/48/74/606824874.db2.gz IYIVAPFMGZJFFJ-LLVKDONJSA-N -1 1 354.378 -0.410 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cn1cccn1 ZINC000820775552 606824873 /nfs/dbraw/zinc/82/48/73/606824873.db2.gz IYIVAPFMGZJFFJ-LLVKDONJSA-N -1 1 354.378 -0.410 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cn1cccn1 ZINC000820775553 606825061 /nfs/dbraw/zinc/82/50/61/606825061.db2.gz IYIVAPFMGZJFFJ-NSHDSACASA-N -1 1 354.378 -0.410 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cn1cccn1 ZINC000820775553 606825060 /nfs/dbraw/zinc/82/50/60/606825060.db2.gz IYIVAPFMGZJFFJ-NSHDSACASA-N -1 1 354.378 -0.410 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC000820775845 606743622 /nfs/dbraw/zinc/74/36/22/606743622.db2.gz JOCAWHLBIFZKOA-GHMZBOCLSA-N -1 1 371.405 -0.780 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC000820775845 606743620 /nfs/dbraw/zinc/74/36/20/606743620.db2.gz JOCAWHLBIFZKOA-GHMZBOCLSA-N -1 1 371.405 -0.780 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CCNC(=O)C1 ZINC000820775858 606743534 /nfs/dbraw/zinc/74/35/34/606743534.db2.gz JOCAWHLBIFZKOA-MNOVXSKESA-N -1 1 371.405 -0.780 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CCNC(=O)C1 ZINC000820775858 606743532 /nfs/dbraw/zinc/74/35/32/606743532.db2.gz JOCAWHLBIFZKOA-MNOVXSKESA-N -1 1 371.405 -0.780 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CCNC(=O)C1 ZINC000820775865 606743583 /nfs/dbraw/zinc/74/35/83/606743583.db2.gz JOCAWHLBIFZKOA-QWRGUYRKSA-N -1 1 371.405 -0.780 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CCNC(=O)C1 ZINC000820775865 606743580 /nfs/dbraw/zinc/74/35/80/606743580.db2.gz JOCAWHLBIFZKOA-QWRGUYRKSA-N -1 1 371.405 -0.780 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC000820775872 606743341 /nfs/dbraw/zinc/74/33/41/606743341.db2.gz JOCAWHLBIFZKOA-WDEREUQCSA-N -1 1 371.405 -0.780 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC000820775872 606743340 /nfs/dbraw/zinc/74/33/40/606743340.db2.gz JOCAWHLBIFZKOA-WDEREUQCSA-N -1 1 371.405 -0.780 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cn1ccnc1 ZINC000820775918 606829428 /nfs/dbraw/zinc/82/94/28/606829428.db2.gz JYWMAOWRKDSNHB-LLVKDONJSA-N -1 1 354.378 -0.410 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cn1ccnc1 ZINC000820775918 606829427 /nfs/dbraw/zinc/82/94/27/606829427.db2.gz JYWMAOWRKDSNHB-LLVKDONJSA-N -1 1 354.378 -0.410 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cn1ccnc1 ZINC000820775919 606828987 /nfs/dbraw/zinc/82/89/87/606828987.db2.gz JYWMAOWRKDSNHB-NSHDSACASA-N -1 1 354.378 -0.410 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cn1ccnc1 ZINC000820775919 606828984 /nfs/dbraw/zinc/82/89/84/606828984.db2.gz JYWMAOWRKDSNHB-NSHDSACASA-N -1 1 354.378 -0.410 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CN1CCCC1=O ZINC000820775939 606825044 /nfs/dbraw/zinc/82/50/44/606825044.db2.gz KFMCGASDTOVQMD-LLVKDONJSA-N -1 1 371.405 -0.684 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CN1CCCC1=O ZINC000820775939 606825041 /nfs/dbraw/zinc/82/50/41/606825041.db2.gz KFMCGASDTOVQMD-LLVKDONJSA-N -1 1 371.405 -0.684 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CN1CCCC1=O ZINC000820775940 606825149 /nfs/dbraw/zinc/82/51/49/606825149.db2.gz KFMCGASDTOVQMD-NSHDSACASA-N -1 1 371.405 -0.684 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CN1CCCC1=O ZINC000820775940 606825148 /nfs/dbraw/zinc/82/51/48/606825148.db2.gz KFMCGASDTOVQMD-NSHDSACASA-N -1 1 371.405 -0.684 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1cc[nH]n1 ZINC000820776375 606831760 /nfs/dbraw/zinc/83/17/60/606831760.db2.gz LSSOWCYCNGHOQE-JTQLQIEISA-N -1 1 354.378 -0.340 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1cc[nH]n1 ZINC000820776382 606831741 /nfs/dbraw/zinc/83/17/41/606831741.db2.gz LSSOWCYCNGHOQE-SNVBAGLBSA-N -1 1 354.378 -0.340 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1ccon1 ZINC000820776687 606829149 /nfs/dbraw/zinc/82/91/49/606829149.db2.gz MLGUPUYFQCHGHT-JTQLQIEISA-N -1 1 355.362 -0.076 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1ccon1 ZINC000820776687 606829147 /nfs/dbraw/zinc/82/91/47/606829147.db2.gz MLGUPUYFQCHGHT-JTQLQIEISA-N -1 1 355.362 -0.076 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1ccon1 ZINC000820776688 606829188 /nfs/dbraw/zinc/82/91/88/606829188.db2.gz MLGUPUYFQCHGHT-SNVBAGLBSA-N -1 1 355.362 -0.076 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1ccon1 ZINC000820776688 606829186 /nfs/dbraw/zinc/82/91/86/606829186.db2.gz MLGUPUYFQCHGHT-SNVBAGLBSA-N -1 1 355.362 -0.076 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC000820776818 606830017 /nfs/dbraw/zinc/83/00/17/606830017.db2.gz NHNHCLZNWDXZAV-NEPJUHHUSA-N -1 1 373.421 -0.976 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC000820776818 606830016 /nfs/dbraw/zinc/83/00/16/606830016.db2.gz NHNHCLZNWDXZAV-NEPJUHHUSA-N -1 1 373.421 -0.976 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CN(C)CCO1 ZINC000820776821 606829868 /nfs/dbraw/zinc/82/98/68/606829868.db2.gz NHNHCLZNWDXZAV-NWDGAFQWSA-N -1 1 373.421 -0.976 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CN(C)CCO1 ZINC000820776821 606829866 /nfs/dbraw/zinc/82/98/66/606829866.db2.gz NHNHCLZNWDXZAV-NWDGAFQWSA-N -1 1 373.421 -0.976 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC000820776823 606829964 /nfs/dbraw/zinc/82/99/64/606829964.db2.gz NHNHCLZNWDXZAV-RYUDHWBXSA-N -1 1 373.421 -0.976 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC000820776823 606829963 /nfs/dbraw/zinc/82/99/63/606829963.db2.gz NHNHCLZNWDXZAV-RYUDHWBXSA-N -1 1 373.421 -0.976 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CN(C)CCO1 ZINC000820776825 606829657 /nfs/dbraw/zinc/82/96/57/606829657.db2.gz NHNHCLZNWDXZAV-VXGBXAGGSA-N -1 1 373.421 -0.976 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CN(C)CCO1 ZINC000820776825 606829655 /nfs/dbraw/zinc/82/96/55/606829655.db2.gz NHNHCLZNWDXZAV-VXGBXAGGSA-N -1 1 373.421 -0.976 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCn1cccn1 ZINC000820777133 606821456 /nfs/dbraw/zinc/82/14/56/606821456.db2.gz PNKGNHWRQYXGHL-GFCCVEGCSA-N -1 1 368.405 -0.019 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCn1cccn1 ZINC000820777133 606821455 /nfs/dbraw/zinc/82/14/55/606821455.db2.gz PNKGNHWRQYXGHL-GFCCVEGCSA-N -1 1 368.405 -0.019 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCn1cccn1 ZINC000820777134 606822137 /nfs/dbraw/zinc/82/21/37/606822137.db2.gz PNKGNHWRQYXGHL-LBPRGKRZSA-N -1 1 368.405 -0.019 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCn1cccn1 ZINC000820777134 606822135 /nfs/dbraw/zinc/82/21/35/606822135.db2.gz PNKGNHWRQYXGHL-LBPRGKRZSA-N -1 1 368.405 -0.019 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CCC(=O)NC1 ZINC000820777411 606821956 /nfs/dbraw/zinc/82/19/56/606821956.db2.gz RBJQJOLMDIDUCI-GHMZBOCLSA-N -1 1 371.405 -0.780 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CCC(=O)NC1 ZINC000820777411 606821954 /nfs/dbraw/zinc/82/19/54/606821954.db2.gz RBJQJOLMDIDUCI-GHMZBOCLSA-N -1 1 371.405 -0.780 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CCC(=O)NC1 ZINC000820777413 606821830 /nfs/dbraw/zinc/82/18/30/606821830.db2.gz RBJQJOLMDIDUCI-MNOVXSKESA-N -1 1 371.405 -0.780 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CCC(=O)NC1 ZINC000820777413 606821829 /nfs/dbraw/zinc/82/18/29/606821829.db2.gz RBJQJOLMDIDUCI-MNOVXSKESA-N -1 1 371.405 -0.780 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CCC(=O)NC1 ZINC000820777415 606821824 /nfs/dbraw/zinc/82/18/24/606821824.db2.gz RBJQJOLMDIDUCI-QWRGUYRKSA-N -1 1 371.405 -0.780 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CCC(=O)NC1 ZINC000820777415 606821823 /nfs/dbraw/zinc/82/18/23/606821823.db2.gz RBJQJOLMDIDUCI-QWRGUYRKSA-N -1 1 371.405 -0.780 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CCC(=O)NC1 ZINC000820777418 606821852 /nfs/dbraw/zinc/82/18/52/606821852.db2.gz RBJQJOLMDIDUCI-WDEREUQCSA-N -1 1 371.405 -0.780 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CCC(=O)NC1 ZINC000820777418 606821851 /nfs/dbraw/zinc/82/18/51/606821851.db2.gz RBJQJOLMDIDUCI-WDEREUQCSA-N -1 1 371.405 -0.780 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C1=COCCO1 ZINC000820777515 606821855 /nfs/dbraw/zinc/82/18/55/606821855.db2.gz RWRRWPZKIRLDCS-JTQLQIEISA-N -1 1 358.362 -0.418 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C1=COCCO1 ZINC000820777515 606821854 /nfs/dbraw/zinc/82/18/54/606821854.db2.gz RWRRWPZKIRLDCS-JTQLQIEISA-N -1 1 358.362 -0.418 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C1=COCCO1 ZINC000820777517 606822154 /nfs/dbraw/zinc/82/21/54/606822154.db2.gz RWRRWPZKIRLDCS-SNVBAGLBSA-N -1 1 358.362 -0.418 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C1=COCCO1 ZINC000820777517 606822152 /nfs/dbraw/zinc/82/21/52/606822152.db2.gz RWRRWPZKIRLDCS-SNVBAGLBSA-N -1 1 358.362 -0.418 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCn1ccnn1 ZINC000820777585 606822131 /nfs/dbraw/zinc/82/21/31/606822131.db2.gz SWZGOGUMGCBZAM-LLVKDONJSA-N -1 1 369.393 -0.624 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCn1ccnn1 ZINC000820777585 606822129 /nfs/dbraw/zinc/82/21/29/606822129.db2.gz SWZGOGUMGCBZAM-LLVKDONJSA-N -1 1 369.393 -0.624 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCn1ccnn1 ZINC000820777588 606821809 /nfs/dbraw/zinc/82/18/09/606821809.db2.gz SWZGOGUMGCBZAM-NSHDSACASA-N -1 1 369.393 -0.624 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCn1ccnn1 ZINC000820777588 606821808 /nfs/dbraw/zinc/82/18/08/606821808.db2.gz SWZGOGUMGCBZAM-NSHDSACASA-N -1 1 369.393 -0.624 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000820777973 606822974 /nfs/dbraw/zinc/82/29/74/606822974.db2.gz UECMTTHGJNXLAR-GHMZBOCLSA-N -1 1 371.405 -0.828 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000820777973 606822973 /nfs/dbraw/zinc/82/29/73/606822973.db2.gz UECMTTHGJNXLAR-GHMZBOCLSA-N -1 1 371.405 -0.828 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CC(=O)N(C)C1 ZINC000820777976 606823044 /nfs/dbraw/zinc/82/30/44/606823044.db2.gz UECMTTHGJNXLAR-MNOVXSKESA-N -1 1 371.405 -0.828 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CC(=O)N(C)C1 ZINC000820777976 606823042 /nfs/dbraw/zinc/82/30/42/606823042.db2.gz UECMTTHGJNXLAR-MNOVXSKESA-N -1 1 371.405 -0.828 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CC(=O)N(C)C1 ZINC000820777978 606823019 /nfs/dbraw/zinc/82/30/19/606823019.db2.gz UECMTTHGJNXLAR-QWRGUYRKSA-N -1 1 371.405 -0.828 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CC(=O)N(C)C1 ZINC000820777978 606823018 /nfs/dbraw/zinc/82/30/18/606823018.db2.gz UECMTTHGJNXLAR-QWRGUYRKSA-N -1 1 371.405 -0.828 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000820777980 606823363 /nfs/dbraw/zinc/82/33/63/606823363.db2.gz UECMTTHGJNXLAR-WDEREUQCSA-N -1 1 371.405 -0.828 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000820777980 606823360 /nfs/dbraw/zinc/82/33/60/606823360.db2.gz UECMTTHGJNXLAR-WDEREUQCSA-N -1 1 371.405 -0.828 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCn1ccnc1 ZINC000820778456 606821842 /nfs/dbraw/zinc/82/18/42/606821842.db2.gz XADNSKWLLIFQEN-GFCCVEGCSA-N -1 1 368.405 -0.019 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCn1ccnc1 ZINC000820778456 606821841 /nfs/dbraw/zinc/82/18/41/606821841.db2.gz XADNSKWLLIFQEN-GFCCVEGCSA-N -1 1 368.405 -0.019 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCn1ccnc1 ZINC000820778457 606821858 /nfs/dbraw/zinc/82/18/58/606821858.db2.gz XADNSKWLLIFQEN-LBPRGKRZSA-N -1 1 368.405 -0.019 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCn1ccnc1 ZINC000820778457 606821857 /nfs/dbraw/zinc/82/18/57/606821857.db2.gz XADNSKWLLIFQEN-LBPRGKRZSA-N -1 1 368.405 -0.019 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CNC(=O)C1CC1 ZINC000820778473 606824820 /nfs/dbraw/zinc/82/48/20/606824820.db2.gz XIWPHKOBRMCEBA-JTQLQIEISA-N -1 1 371.405 -0.780 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CNC(=O)C1CC1 ZINC000820778473 606824818 /nfs/dbraw/zinc/82/48/18/606824818.db2.gz XIWPHKOBRMCEBA-JTQLQIEISA-N -1 1 371.405 -0.780 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CNC(=O)C1CC1 ZINC000820778474 606824809 /nfs/dbraw/zinc/82/48/09/606824809.db2.gz XIWPHKOBRMCEBA-SNVBAGLBSA-N -1 1 371.405 -0.780 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CNC(=O)C1CC1 ZINC000820778474 606824807 /nfs/dbraw/zinc/82/48/07/606824807.db2.gz XIWPHKOBRMCEBA-SNVBAGLBSA-N -1 1 371.405 -0.780 20 0 FBADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)n1cncn1 ZINC000820778491 606823809 /nfs/dbraw/zinc/82/38/09/606823809.db2.gz XRDHTEBDPIPCSV-GHMZBOCLSA-N -1 1 369.393 -0.454 20 0 FBADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)n1cncn1 ZINC000820778491 606823807 /nfs/dbraw/zinc/82/38/07/606823807.db2.gz XRDHTEBDPIPCSV-GHMZBOCLSA-N -1 1 369.393 -0.454 20 0 FBADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)n1cncn1 ZINC000820778492 606823531 /nfs/dbraw/zinc/82/35/31/606823531.db2.gz XRDHTEBDPIPCSV-MNOVXSKESA-N -1 1 369.393 -0.454 20 0 FBADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)n1cncn1 ZINC000820778492 606823530 /nfs/dbraw/zinc/82/35/30/606823530.db2.gz XRDHTEBDPIPCSV-MNOVXSKESA-N -1 1 369.393 -0.454 20 0 FBADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)n1cncn1 ZINC000820778493 606823522 /nfs/dbraw/zinc/82/35/22/606823522.db2.gz XRDHTEBDPIPCSV-QWRGUYRKSA-N -1 1 369.393 -0.454 20 0 FBADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)n1cncn1 ZINC000820778493 606823521 /nfs/dbraw/zinc/82/35/21/606823521.db2.gz XRDHTEBDPIPCSV-QWRGUYRKSA-N -1 1 369.393 -0.454 20 0 FBADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)n1cncn1 ZINC000820778494 606823760 /nfs/dbraw/zinc/82/37/60/606823760.db2.gz XRDHTEBDPIPCSV-WDEREUQCSA-N -1 1 369.393 -0.454 20 0 FBADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)n1cncn1 ZINC000820778494 606823758 /nfs/dbraw/zinc/82/37/58/606823758.db2.gz XRDHTEBDPIPCSV-WDEREUQCSA-N -1 1 369.393 -0.454 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCn1cncn1 ZINC000820778996 606821868 /nfs/dbraw/zinc/82/18/68/606821868.db2.gz ZXWRDICSWHNEQT-LLVKDONJSA-N -1 1 369.393 -0.624 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCn1cncn1 ZINC000820778996 606821867 /nfs/dbraw/zinc/82/18/67/606821867.db2.gz ZXWRDICSWHNEQT-LLVKDONJSA-N -1 1 369.393 -0.624 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCn1cncn1 ZINC000820778997 606821731 /nfs/dbraw/zinc/82/17/31/606821731.db2.gz ZXWRDICSWHNEQT-NSHDSACASA-N -1 1 369.393 -0.624 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCn1cncn1 ZINC000820778997 606821729 /nfs/dbraw/zinc/82/17/29/606821729.db2.gz ZXWRDICSWHNEQT-NSHDSACASA-N -1 1 369.393 -0.624 20 0 FBADMM CC(=O)N1CCN(CC[N-]S(=O)(=O)N=S2(=O)CCCC2)CC1 ZINC000820785762 661078375 /nfs/dbraw/zinc/07/83/75/661078375.db2.gz JCOALUNNTABZJF-UHFFFAOYSA-N -1 1 352.482 -0.753 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnsn1 ZINC000820788211 606819958 /nfs/dbraw/zinc/81/99/58/606819958.db2.gz ASLWUQCFVOKDBX-MRVPVSSYSA-N -1 1 358.391 -0.141 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnsn1 ZINC000820788211 606819957 /nfs/dbraw/zinc/81/99/57/606819957.db2.gz ASLWUQCFVOKDBX-MRVPVSSYSA-N -1 1 358.391 -0.141 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnsn1 ZINC000820788212 606820251 /nfs/dbraw/zinc/82/02/51/606820251.db2.gz ASLWUQCFVOKDBX-QMMMGPOBSA-N -1 1 358.391 -0.141 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnsn1 ZINC000820788212 606820250 /nfs/dbraw/zinc/82/02/50/606820250.db2.gz ASLWUQCFVOKDBX-QMMMGPOBSA-N -1 1 358.391 -0.141 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1cc[nH]n1 ZINC000820788301 606793890 /nfs/dbraw/zinc/79/38/90/606793890.db2.gz CONAZKQRTXHWGL-JTQLQIEISA-N -1 1 369.393 -0.200 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1cc[nH]n1 ZINC000820788301 606793887 /nfs/dbraw/zinc/79/38/87/606793887.db2.gz CONAZKQRTXHWGL-JTQLQIEISA-N -1 1 369.393 -0.200 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1cc[nH]n1 ZINC000820788302 606794041 /nfs/dbraw/zinc/79/40/41/606794041.db2.gz CONAZKQRTXHWGL-SNVBAGLBSA-N -1 1 369.393 -0.200 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1cc[nH]n1 ZINC000820788302 606794040 /nfs/dbraw/zinc/79/40/40/606794040.db2.gz CONAZKQRTXHWGL-SNVBAGLBSA-N -1 1 369.393 -0.200 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)N(C)C1CC1 ZINC000820788367 606779705 /nfs/dbraw/zinc/77/97/05/606779705.db2.gz FFPHILNNSQCTJY-LLVKDONJSA-N -1 1 357.422 -0.212 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)N(C)C1CC1 ZINC000820788367 606779704 /nfs/dbraw/zinc/77/97/04/606779704.db2.gz FFPHILNNSQCTJY-LLVKDONJSA-N -1 1 357.422 -0.212 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)N(C)C1CC1 ZINC000820788368 606779825 /nfs/dbraw/zinc/77/98/25/606779825.db2.gz FFPHILNNSQCTJY-NSHDSACASA-N -1 1 357.422 -0.212 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)N(C)C1CC1 ZINC000820788368 606779823 /nfs/dbraw/zinc/77/98/23/606779823.db2.gz FFPHILNNSQCTJY-NSHDSACASA-N -1 1 357.422 -0.212 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccn(C)n1 ZINC000820788411 606831733 /nfs/dbraw/zinc/83/17/33/606831733.db2.gz GPKMVUSAUUGIFG-JTQLQIEISA-N -1 1 354.378 -0.259 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccn(C)n1 ZINC000820788411 606831732 /nfs/dbraw/zinc/83/17/32/606831732.db2.gz GPKMVUSAUUGIFG-JTQLQIEISA-N -1 1 354.378 -0.259 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccn(C)n1 ZINC000820788412 606831468 /nfs/dbraw/zinc/83/14/68/606831468.db2.gz GPKMVUSAUUGIFG-SNVBAGLBSA-N -1 1 354.378 -0.259 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccn(C)n1 ZINC000820788412 606831466 /nfs/dbraw/zinc/83/14/66/606831466.db2.gz GPKMVUSAUUGIFG-SNVBAGLBSA-N -1 1 354.378 -0.259 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)Nc1ccon1 ZINC000820788419 606779366 /nfs/dbraw/zinc/77/93/66/606779366.db2.gz GVIODCIBJYKKQM-JTQLQIEISA-N -1 1 370.377 -0.206 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)Nc1ccon1 ZINC000820788419 606779364 /nfs/dbraw/zinc/77/93/64/606779364.db2.gz GVIODCIBJYKKQM-JTQLQIEISA-N -1 1 370.377 -0.206 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)Nc1ccon1 ZINC000820788420 606779929 /nfs/dbraw/zinc/77/99/29/606779929.db2.gz GVIODCIBJYKKQM-SNVBAGLBSA-N -1 1 370.377 -0.206 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)Nc1ccon1 ZINC000820788420 606779927 /nfs/dbraw/zinc/77/99/27/606779927.db2.gz GVIODCIBJYKKQM-SNVBAGLBSA-N -1 1 370.377 -0.206 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ncccn1 ZINC000820788445 606829848 /nfs/dbraw/zinc/82/98/48/606829848.db2.gz HCPCRVNBEMCTEM-JTQLQIEISA-N -1 1 352.362 -0.202 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ncccn1 ZINC000820788445 606829846 /nfs/dbraw/zinc/82/98/46/606829846.db2.gz HCPCRVNBEMCTEM-JTQLQIEISA-N -1 1 352.362 -0.202 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ncccn1 ZINC000820788446 606829793 /nfs/dbraw/zinc/82/97/93/606829793.db2.gz HCPCRVNBEMCTEM-SNVBAGLBSA-N -1 1 352.362 -0.202 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ncccn1 ZINC000820788446 606829791 /nfs/dbraw/zinc/82/97/91/606829791.db2.gz HCPCRVNBEMCTEM-SNVBAGLBSA-N -1 1 352.362 -0.202 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnn(C)c1 ZINC000820788509 606823837 /nfs/dbraw/zinc/82/38/37/606823837.db2.gz IRCPAVHYTDTNRI-JTQLQIEISA-N -1 1 354.378 -0.259 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnn(C)c1 ZINC000820788509 606823835 /nfs/dbraw/zinc/82/38/35/606823835.db2.gz IRCPAVHYTDTNRI-JTQLQIEISA-N -1 1 354.378 -0.259 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnn(C)c1 ZINC000820788510 606823956 /nfs/dbraw/zinc/82/39/56/606823956.db2.gz IRCPAVHYTDTNRI-SNVBAGLBSA-N -1 1 354.378 -0.259 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnn(C)c1 ZINC000820788510 606823954 /nfs/dbraw/zinc/82/39/54/606823954.db2.gz IRCPAVHYTDTNRI-SNVBAGLBSA-N -1 1 354.378 -0.259 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)N1CCOCC1 ZINC000820788663 606777296 /nfs/dbraw/zinc/77/72/96/606777296.db2.gz LRQLWOCZHDIJDR-GFCCVEGCSA-N -1 1 373.421 -0.974 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)N1CCOCC1 ZINC000820788663 606777293 /nfs/dbraw/zinc/77/72/93/606777293.db2.gz LRQLWOCZHDIJDR-GFCCVEGCSA-N -1 1 373.421 -0.974 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)N1CCOCC1 ZINC000820788664 606778013 /nfs/dbraw/zinc/77/80/13/606778013.db2.gz LRQLWOCZHDIJDR-LBPRGKRZSA-N -1 1 373.421 -0.974 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)N1CCOCC1 ZINC000820788664 606778011 /nfs/dbraw/zinc/77/80/11/606778011.db2.gz LRQLWOCZHDIJDR-LBPRGKRZSA-N -1 1 373.421 -0.974 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccnn1C ZINC000820788673 606821839 /nfs/dbraw/zinc/82/18/39/606821839.db2.gz LZJKDWRXANQRBU-JTQLQIEISA-N -1 1 354.378 -0.259 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccnn1C ZINC000820788673 606821838 /nfs/dbraw/zinc/82/18/38/606821838.db2.gz LZJKDWRXANQRBU-JTQLQIEISA-N -1 1 354.378 -0.259 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccnn1C ZINC000820788674 606821883 /nfs/dbraw/zinc/82/18/83/606821883.db2.gz LZJKDWRXANQRBU-SNVBAGLBSA-N -1 1 354.378 -0.259 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccnn1C ZINC000820788674 606821882 /nfs/dbraw/zinc/82/18/82/606821882.db2.gz LZJKDWRXANQRBU-SNVBAGLBSA-N -1 1 354.378 -0.259 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1nccnc1N ZINC000820788699 606829692 /nfs/dbraw/zinc/82/96/92/606829692.db2.gz MMYCNANZIPLZAC-SECBINFHSA-N -1 1 367.377 -0.620 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1nccnc1N ZINC000820788699 606829690 /nfs/dbraw/zinc/82/96/90/606829690.db2.gz MMYCNANZIPLZAC-SECBINFHSA-N -1 1 367.377 -0.620 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1nccnc1N ZINC000820788700 606829597 /nfs/dbraw/zinc/82/95/97/606829597.db2.gz MMYCNANZIPLZAC-VIFPVBQESA-N -1 1 367.377 -0.620 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1nccnc1N ZINC000820788700 606829595 /nfs/dbraw/zinc/82/95/95/606829595.db2.gz MMYCNANZIPLZAC-VIFPVBQESA-N -1 1 367.377 -0.620 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)N1CCCC1 ZINC000820788745 606853038 /nfs/dbraw/zinc/85/30/38/606853038.db2.gz NGLINJAKYBIIMX-GFCCVEGCSA-N -1 1 357.422 -0.210 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)N1CCCC1 ZINC000820788745 606853037 /nfs/dbraw/zinc/85/30/37/606853037.db2.gz NGLINJAKYBIIMX-GFCCVEGCSA-N -1 1 357.422 -0.210 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)N1CCCC1 ZINC000820788746 606852731 /nfs/dbraw/zinc/85/27/31/606852731.db2.gz NGLINJAKYBIIMX-LBPRGKRZSA-N -1 1 357.422 -0.210 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)N1CCCC1 ZINC000820788746 606852729 /nfs/dbraw/zinc/85/27/29/606852729.db2.gz NGLINJAKYBIIMX-LBPRGKRZSA-N -1 1 357.422 -0.210 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NCC1CC1 ZINC000820788809 606777504 /nfs/dbraw/zinc/77/75/04/606777504.db2.gz OXDPTYSIOKBPGQ-LLVKDONJSA-N -1 1 357.422 -0.307 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NCC1CC1 ZINC000820788809 606777503 /nfs/dbraw/zinc/77/75/03/606777503.db2.gz OXDPTYSIOKBPGQ-LLVKDONJSA-N -1 1 357.422 -0.307 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NCC1CC1 ZINC000820788810 606777895 /nfs/dbraw/zinc/77/78/95/606777895.db2.gz OXDPTYSIOKBPGQ-NSHDSACASA-N -1 1 357.422 -0.307 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NCC1CC1 ZINC000820788810 606777893 /nfs/dbraw/zinc/77/78/93/606777893.db2.gz OXDPTYSIOKBPGQ-NSHDSACASA-N -1 1 357.422 -0.307 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N1CCOCC1 ZINC000820788945 606768227 /nfs/dbraw/zinc/76/82/27/606768227.db2.gz RUEAXHRLTLTJIZ-LLVKDONJSA-N -1 1 359.394 -0.381 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N1CCOCC1 ZINC000820788945 606768226 /nfs/dbraw/zinc/76/82/26/606768226.db2.gz RUEAXHRLTLTJIZ-LLVKDONJSA-N -1 1 359.394 -0.381 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N1CCOCC1 ZINC000820788946 606767774 /nfs/dbraw/zinc/76/77/74/606767774.db2.gz RUEAXHRLTLTJIZ-NSHDSACASA-N -1 1 359.394 -0.381 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N1CCOCC1 ZINC000820788946 606767773 /nfs/dbraw/zinc/76/77/73/606767773.db2.gz RUEAXHRLTLTJIZ-NSHDSACASA-N -1 1 359.394 -0.381 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1csnn1 ZINC000820788979 606820347 /nfs/dbraw/zinc/82/03/47/606820347.db2.gz SMSFAZBYAJNPMW-MRVPVSSYSA-N -1 1 358.391 -0.141 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1csnn1 ZINC000820788979 606820345 /nfs/dbraw/zinc/82/03/45/606820345.db2.gz SMSFAZBYAJNPMW-MRVPVSSYSA-N -1 1 358.391 -0.141 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1csnn1 ZINC000820788980 606820289 /nfs/dbraw/zinc/82/02/89/606820289.db2.gz SMSFAZBYAJNPMW-QMMMGPOBSA-N -1 1 358.391 -0.141 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1csnn1 ZINC000820788980 606820287 /nfs/dbraw/zinc/82/02/87/606820287.db2.gz SMSFAZBYAJNPMW-QMMMGPOBSA-N -1 1 358.391 -0.141 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnns1 ZINC000820789101 606819946 /nfs/dbraw/zinc/81/99/46/606819946.db2.gz VOGVTGIJYHIGSQ-MRVPVSSYSA-N -1 1 358.391 -0.141 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnns1 ZINC000820789101 606819945 /nfs/dbraw/zinc/81/99/45/606819945.db2.gz VOGVTGIJYHIGSQ-MRVPVSSYSA-N -1 1 358.391 -0.141 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnns1 ZINC000820789102 606820358 /nfs/dbraw/zinc/82/03/58/606820358.db2.gz VOGVTGIJYHIGSQ-QMMMGPOBSA-N -1 1 358.391 -0.141 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnns1 ZINC000820789102 606820356 /nfs/dbraw/zinc/82/03/56/606820356.db2.gz VOGVTGIJYHIGSQ-QMMMGPOBSA-N -1 1 358.391 -0.141 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CCS(C)(=O)=O ZINC000820789141 606785369 /nfs/dbraw/zinc/78/53/69/606785369.db2.gz WGQFLIXAXOXQDV-JTQLQIEISA-N -1 1 352.424 -0.788 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CCS(C)(=O)=O ZINC000820789141 606785367 /nfs/dbraw/zinc/78/53/67/606785367.db2.gz WGQFLIXAXOXQDV-JTQLQIEISA-N -1 1 352.424 -0.788 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CCS(C)(=O)=O ZINC000820789142 606785613 /nfs/dbraw/zinc/78/56/13/606785613.db2.gz WGQFLIXAXOXQDV-SNVBAGLBSA-N -1 1 352.424 -0.788 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CCS(C)(=O)=O ZINC000820789142 606785611 /nfs/dbraw/zinc/78/56/11/606785611.db2.gz WGQFLIXAXOXQDV-SNVBAGLBSA-N -1 1 352.424 -0.788 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC1(C)COC1 ZINC000820789187 606792327 /nfs/dbraw/zinc/79/23/27/606792327.db2.gz XHSNLFJVASKCDU-LLVKDONJSA-N -1 1 373.421 -0.087 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC1(C)COC1 ZINC000820789187 606792325 /nfs/dbraw/zinc/79/23/25/606792325.db2.gz XHSNLFJVASKCDU-LLVKDONJSA-N -1 1 373.421 -0.087 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC1(C)COC1 ZINC000820789188 606792345 /nfs/dbraw/zinc/79/23/45/606792345.db2.gz XHSNLFJVASKCDU-NSHDSACASA-N -1 1 373.421 -0.087 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC1(C)COC1 ZINC000820789188 606792343 /nfs/dbraw/zinc/79/23/43/606792343.db2.gz XHSNLFJVASKCDU-NSHDSACASA-N -1 1 373.421 -0.087 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CCCS(C)(=O)=O ZINC000820789209 606777510 /nfs/dbraw/zinc/77/75/10/606777510.db2.gz XWOIIKSRHXCSON-LLVKDONJSA-N -1 1 366.451 -0.398 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CCCS(C)(=O)=O ZINC000820789209 606777509 /nfs/dbraw/zinc/77/75/09/606777509.db2.gz XWOIIKSRHXCSON-LLVKDONJSA-N -1 1 366.451 -0.398 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CCCS(C)(=O)=O ZINC000820789210 606777800 /nfs/dbraw/zinc/77/78/00/606777800.db2.gz XWOIIKSRHXCSON-NSHDSACASA-N -1 1 366.451 -0.398 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CCCS(C)(=O)=O ZINC000820789210 606777798 /nfs/dbraw/zinc/77/77/98/606777798.db2.gz XWOIIKSRHXCSON-NSHDSACASA-N -1 1 366.451 -0.398 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnccn1 ZINC000820789245 606820049 /nfs/dbraw/zinc/82/00/49/606820049.db2.gz YPLRSDKALJXHQZ-JTQLQIEISA-N -1 1 352.362 -0.202 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnccn1 ZINC000820789245 606820048 /nfs/dbraw/zinc/82/00/48/606820048.db2.gz YPLRSDKALJXHQZ-JTQLQIEISA-N -1 1 352.362 -0.202 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnccn1 ZINC000820789246 606820060 /nfs/dbraw/zinc/82/00/60/606820060.db2.gz YPLRSDKALJXHQZ-SNVBAGLBSA-N -1 1 352.362 -0.202 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnccn1 ZINC000820789246 606820058 /nfs/dbraw/zinc/82/00/58/606820058.db2.gz YPLRSDKALJXHQZ-SNVBAGLBSA-N -1 1 352.362 -0.202 20 0 FBADMM C[C@@H]1CO[C@H](CO)CN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820803572 607251029 /nfs/dbraw/zinc/25/10/29/607251029.db2.gz CKCWMLDCNMFIKA-BDAKNGLRSA-N -1 1 357.367 -0.224 20 0 FBADMM C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820803573 607251005 /nfs/dbraw/zinc/25/10/05/607251005.db2.gz CKCWMLDCNMFIKA-DTWKUNHWSA-N -1 1 357.367 -0.224 20 0 FBADMM C[C@H]1CO[C@H](CO)CN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820803574 607250963 /nfs/dbraw/zinc/25/09/63/607250963.db2.gz CKCWMLDCNMFIKA-IUCAKERBSA-N -1 1 357.367 -0.224 20 0 FBADMM C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820803575 607251002 /nfs/dbraw/zinc/25/10/02/607251002.db2.gz CKCWMLDCNMFIKA-RKDXNWHRSA-N -1 1 357.367 -0.224 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ccc2nnnn2n1 ZINC000820803644 606807107 /nfs/dbraw/zinc/80/71/07/606807107.db2.gz DOMKKBRVMVUFIF-SECBINFHSA-N -1 1 365.365 -0.796 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ccc2nnnn2n1 ZINC000820803644 606807106 /nfs/dbraw/zinc/80/71/06/606807106.db2.gz DOMKKBRVMVUFIF-SECBINFHSA-N -1 1 365.365 -0.796 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ccc2nnnn2n1 ZINC000820803645 606806745 /nfs/dbraw/zinc/80/67/45/606806745.db2.gz DOMKKBRVMVUFIF-VIFPVBQESA-N -1 1 365.365 -0.796 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ccc2nnnn2n1 ZINC000820803645 606806744 /nfs/dbraw/zinc/80/67/44/606806744.db2.gz DOMKKBRVMVUFIF-VIFPVBQESA-N -1 1 365.365 -0.796 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)CCCF ZINC000820803694 606848200 /nfs/dbraw/zinc/84/82/00/606848200.db2.gz FJIFVAXGHNHYSX-JTQLQIEISA-N -1 1 370.414 -0.143 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)CCCF ZINC000820803694 606848198 /nfs/dbraw/zinc/84/81/98/606848198.db2.gz FJIFVAXGHNHYSX-JTQLQIEISA-N -1 1 370.414 -0.143 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)CCCF ZINC000820803695 606847868 /nfs/dbraw/zinc/84/78/68/606847868.db2.gz FJIFVAXGHNHYSX-SNVBAGLBSA-N -1 1 370.414 -0.143 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)CCCF ZINC000820803695 606847867 /nfs/dbraw/zinc/84/78/67/606847867.db2.gz FJIFVAXGHNHYSX-SNVBAGLBSA-N -1 1 370.414 -0.143 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nnnn1C1CC1 ZINC000820803775 606778308 /nfs/dbraw/zinc/77/83/08/606778308.db2.gz HBXYWVMUCDLEEO-JTQLQIEISA-N -1 1 368.409 -0.311 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nnnn1C1CC1 ZINC000820803775 606778307 /nfs/dbraw/zinc/77/83/07/606778307.db2.gz HBXYWVMUCDLEEO-JTQLQIEISA-N -1 1 368.409 -0.311 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nnnn1C1CC1 ZINC000820803776 606778416 /nfs/dbraw/zinc/77/84/16/606778416.db2.gz HBXYWVMUCDLEEO-SNVBAGLBSA-N -1 1 368.409 -0.311 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nnnn1C1CC1 ZINC000820803776 606778414 /nfs/dbraw/zinc/77/84/14/606778414.db2.gz HBXYWVMUCDLEEO-SNVBAGLBSA-N -1 1 368.409 -0.311 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)C1CC1 ZINC000820803969 606848052 /nfs/dbraw/zinc/84/80/52/606848052.db2.gz KKQHSDSLDUCSEI-SECBINFHSA-N -1 1 350.408 -0.341 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)C1CC1 ZINC000820803969 606848051 /nfs/dbraw/zinc/84/80/51/606848051.db2.gz KKQHSDSLDUCSEI-SECBINFHSA-N -1 1 350.408 -0.341 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)C1CC1 ZINC000820803970 606847955 /nfs/dbraw/zinc/84/79/55/606847955.db2.gz KKQHSDSLDUCSEI-VIFPVBQESA-N -1 1 350.408 -0.341 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)C1CC1 ZINC000820803970 606847954 /nfs/dbraw/zinc/84/79/54/606847954.db2.gz KKQHSDSLDUCSEI-VIFPVBQESA-N -1 1 350.408 -0.341 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1nccn2nnnc12 ZINC000820803979 606808520 /nfs/dbraw/zinc/80/85/20/606808520.db2.gz KPOFDRMWSJBFAC-SECBINFHSA-N -1 1 365.365 -0.796 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1nccn2nnnc12 ZINC000820803979 606808519 /nfs/dbraw/zinc/80/85/19/606808519.db2.gz KPOFDRMWSJBFAC-SECBINFHSA-N -1 1 365.365 -0.796 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1nccn2nnnc12 ZINC000820803980 606808681 /nfs/dbraw/zinc/80/86/81/606808681.db2.gz KPOFDRMWSJBFAC-VIFPVBQESA-N -1 1 365.365 -0.796 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1nccn2nnnc12 ZINC000820803980 606808680 /nfs/dbraw/zinc/80/86/80/606808680.db2.gz KPOFDRMWSJBFAC-VIFPVBQESA-N -1 1 365.365 -0.796 20 0 FBADMM CC(C)n1nnnc1CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820804001 606780383 /nfs/dbraw/zinc/78/03/83/606780383.db2.gz KWTJQGBAUFHYKY-LLVKDONJSA-N -1 1 370.425 -0.065 20 0 FBADMM CC(C)n1nnnc1CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820804001 606780382 /nfs/dbraw/zinc/78/03/82/606780382.db2.gz KWTJQGBAUFHYKY-LLVKDONJSA-N -1 1 370.425 -0.065 20 0 FBADMM CC(C)n1nnnc1CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820804002 606780845 /nfs/dbraw/zinc/78/08/45/606780845.db2.gz KWTJQGBAUFHYKY-NSHDSACASA-N -1 1 370.425 -0.065 20 0 FBADMM CC(C)n1nnnc1CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820804002 606780843 /nfs/dbraw/zinc/78/08/43/606780843.db2.gz KWTJQGBAUFHYKY-NSHDSACASA-N -1 1 370.425 -0.065 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1nccn(C)c1=O ZINC000820804017 606809091 /nfs/dbraw/zinc/80/90/91/606809091.db2.gz LHCYXVYALFLEKS-JTQLQIEISA-N -1 1 354.378 -0.535 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1nccn(C)c1=O ZINC000820804017 606809089 /nfs/dbraw/zinc/80/90/89/606809089.db2.gz LHCYXVYALFLEKS-JTQLQIEISA-N -1 1 354.378 -0.535 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1nccn(C)c1=O ZINC000820804018 606808848 /nfs/dbraw/zinc/80/88/48/606808848.db2.gz LHCYXVYALFLEKS-SNVBAGLBSA-N -1 1 354.378 -0.535 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1nccn(C)c1=O ZINC000820804018 606808847 /nfs/dbraw/zinc/80/88/47/606808847.db2.gz LHCYXVYALFLEKS-SNVBAGLBSA-N -1 1 354.378 -0.535 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1CCOC1=S ZINC000820804332 606769180 /nfs/dbraw/zinc/76/91/80/606769180.db2.gz QUBHBHVNEZACEF-JTQLQIEISA-N -1 1 361.435 -0.258 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1CCOC1=S ZINC000820804332 606769179 /nfs/dbraw/zinc/76/91/79/606769179.db2.gz QUBHBHVNEZACEF-JTQLQIEISA-N -1 1 361.435 -0.258 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1CCOC1=S ZINC000820804333 606769209 /nfs/dbraw/zinc/76/92/09/606769209.db2.gz QUBHBHVNEZACEF-SNVBAGLBSA-N -1 1 361.435 -0.258 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1CCOC1=S ZINC000820804333 606769208 /nfs/dbraw/zinc/76/92/08/606769208.db2.gz QUBHBHVNEZACEF-SNVBAGLBSA-N -1 1 361.435 -0.258 20 0 FBADMM C[C@@H]1CN=C(N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)S1 ZINC000820804414 607219327 /nfs/dbraw/zinc/21/93/27/607219327.db2.gz RWPYVICQDGMDET-SECBINFHSA-N -1 1 362.423 -0.906 20 0 FBADMM C[C@H]1CN=C(N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)S1 ZINC000820804415 607219280 /nfs/dbraw/zinc/21/92/80/607219280.db2.gz RWPYVICQDGMDET-VIFPVBQESA-N -1 1 362.423 -0.906 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1nccn2cnnc12 ZINC000820804518 607332055 /nfs/dbraw/zinc/33/20/55/607332055.db2.gz UFEOJJQWKMRKQD-JTQLQIEISA-N -1 1 364.377 -0.191 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1nccn2cnnc12 ZINC000820804518 607332054 /nfs/dbraw/zinc/33/20/54/607332054.db2.gz UFEOJJQWKMRKQD-JTQLQIEISA-N -1 1 364.377 -0.191 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1nccn2cnnc12 ZINC000820804519 607331991 /nfs/dbraw/zinc/33/19/91/607331991.db2.gz UFEOJJQWKMRKQD-SNVBAGLBSA-N -1 1 364.377 -0.191 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1nccn2cnnc12 ZINC000820804519 607331990 /nfs/dbraw/zinc/33/19/90/607331990.db2.gz UFEOJJQWKMRKQD-SNVBAGLBSA-N -1 1 364.377 -0.191 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)CC1CC1 ZINC000820804585 606848109 /nfs/dbraw/zinc/84/81/09/606848109.db2.gz VLCULRPPLCBKAB-JTQLQIEISA-N -1 1 364.435 -0.093 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)CC1CC1 ZINC000820804585 606848108 /nfs/dbraw/zinc/84/81/08/606848108.db2.gz VLCULRPPLCBKAB-JTQLQIEISA-N -1 1 364.435 -0.093 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)CC1CC1 ZINC000820804586 606847931 /nfs/dbraw/zinc/84/79/31/606847931.db2.gz VLCULRPPLCBKAB-SNVBAGLBSA-N -1 1 364.435 -0.093 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)CC1CC1 ZINC000820804586 606847930 /nfs/dbraw/zinc/84/79/30/606847930.db2.gz VLCULRPPLCBKAB-SNVBAGLBSA-N -1 1 364.435 -0.093 20 0 FBADMM C[C@H]1Oc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2NC1=O ZINC000820818691 607205900 /nfs/dbraw/zinc/20/59/00/607205900.db2.gz AOPFCZLHGOILMJ-SSDOTTSWSA-N -1 1 355.318 -0.184 20 0 FBADMM C[C@@H]1Oc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2NC1=O ZINC000820818692 607205823 /nfs/dbraw/zinc/20/58/23/607205823.db2.gz AOPFCZLHGOILMJ-ZETCQYMHSA-N -1 1 355.318 -0.184 20 0 FBADMM CCC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820836549 606795139 /nfs/dbraw/zinc/79/51/39/606795139.db2.gz BHPDXDRZHZYWOH-SECBINFHSA-N -1 1 351.392 -0.449 20 0 FBADMM CCC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820836549 606795138 /nfs/dbraw/zinc/79/51/38/606795138.db2.gz BHPDXDRZHZYWOH-SECBINFHSA-N -1 1 351.392 -0.449 20 0 FBADMM CCC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820836554 606794901 /nfs/dbraw/zinc/79/49/01/606794901.db2.gz BHPDXDRZHZYWOH-VIFPVBQESA-N -1 1 351.392 -0.449 20 0 FBADMM CCC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820836554 606794900 /nfs/dbraw/zinc/79/49/00/606794900.db2.gz BHPDXDRZHZYWOH-VIFPVBQESA-N -1 1 351.392 -0.449 20 0 FBADMM CCC(=O)N[C@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820836884 606820111 /nfs/dbraw/zinc/82/01/11/606820111.db2.gz DHSHDOYXZSZDLX-GHMZBOCLSA-N -1 1 373.421 -0.392 20 0 FBADMM CCC(=O)N[C@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820836884 606820109 /nfs/dbraw/zinc/82/01/09/606820109.db2.gz DHSHDOYXZSZDLX-GHMZBOCLSA-N -1 1 373.421 -0.392 20 0 FBADMM CCC(=O)N[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820836888 606820064 /nfs/dbraw/zinc/82/00/64/606820064.db2.gz DHSHDOYXZSZDLX-MNOVXSKESA-N -1 1 373.421 -0.392 20 0 FBADMM CCC(=O)N[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820836888 606820063 /nfs/dbraw/zinc/82/00/63/606820063.db2.gz DHSHDOYXZSZDLX-MNOVXSKESA-N -1 1 373.421 -0.392 20 0 FBADMM CCC(=O)N[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820836890 606820218 /nfs/dbraw/zinc/82/02/18/606820218.db2.gz DHSHDOYXZSZDLX-QWRGUYRKSA-N -1 1 373.421 -0.392 20 0 FBADMM CCC(=O)N[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820836890 606820216 /nfs/dbraw/zinc/82/02/16/606820216.db2.gz DHSHDOYXZSZDLX-QWRGUYRKSA-N -1 1 373.421 -0.392 20 0 FBADMM CCC(=O)N[C@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820836891 606820154 /nfs/dbraw/zinc/82/01/54/606820154.db2.gz DHSHDOYXZSZDLX-WDEREUQCSA-N -1 1 373.421 -0.392 20 0 FBADMM CCC(=O)N[C@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820836891 606820152 /nfs/dbraw/zinc/82/01/52/606820152.db2.gz DHSHDOYXZSZDLX-WDEREUQCSA-N -1 1 373.421 -0.392 20 0 FBADMM CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820876998 607212052 /nfs/dbraw/zinc/21/20/52/607212052.db2.gz XXXWYQVGWFJZJW-BDAKNGLRSA-N -1 1 365.423 -0.726 20 0 FBADMM CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820876999 607212203 /nfs/dbraw/zinc/21/22/03/607212203.db2.gz XXXWYQVGWFJZJW-DTWKUNHWSA-N -1 1 365.423 -0.726 20 0 FBADMM CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820877000 607211966 /nfs/dbraw/zinc/21/19/66/607211966.db2.gz XXXWYQVGWFJZJW-IUCAKERBSA-N -1 1 365.423 -0.726 20 0 FBADMM CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820877001 607212073 /nfs/dbraw/zinc/21/20/73/607212073.db2.gz XXXWYQVGWFJZJW-RKDXNWHRSA-N -1 1 365.423 -0.726 20 0 FBADMM CCC(CC)(CCO)CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820887700 599688363 /nfs/dbraw/zinc/68/83/63/599688363.db2.gz MRQFCIOPMOIXOQ-UHFFFAOYSA-N -1 1 351.411 -0.135 20 0 FBADMM CCC(CC)C(=O)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000820892844 607207572 /nfs/dbraw/zinc/20/75/72/607207572.db2.gz FXHCTCDNYHBVAI-UHFFFAOYSA-N -1 1 361.410 -0.435 20 0 FBADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)OCC(=O)NCC(=O)[O-] ZINC000820927824 597840112 /nfs/dbraw/zinc/84/01/12/597840112.db2.gz OIHFEBKRZILQCO-UHFFFAOYSA-N -1 1 361.314 -0.766 20 0 FBADMM CC[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820965873 606843218 /nfs/dbraw/zinc/84/32/18/606843218.db2.gz AIOOCMMKTRQLKU-JTQLQIEISA-N -1 1 354.367 -0.095 20 0 FBADMM CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820965874 606843123 /nfs/dbraw/zinc/84/31/23/606843123.db2.gz AIOOCMMKTRQLKU-SNVBAGLBSA-N -1 1 354.367 -0.095 20 0 FBADMM CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820967756 599342414 /nfs/dbraw/zinc/34/24/14/599342414.db2.gz VCNMTPQVZXPPIQ-SECBINFHSA-N -1 1 354.367 -0.095 20 0 FBADMM CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820967756 599342411 /nfs/dbraw/zinc/34/24/11/599342411.db2.gz VCNMTPQVZXPPIQ-SECBINFHSA-N -1 1 354.367 -0.095 20 0 FBADMM CC[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820967757 599341913 /nfs/dbraw/zinc/34/19/13/599341913.db2.gz VCNMTPQVZXPPIQ-VIFPVBQESA-N -1 1 354.367 -0.095 20 0 FBADMM CC[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820967757 599341911 /nfs/dbraw/zinc/34/19/11/599341911.db2.gz VCNMTPQVZXPPIQ-VIFPVBQESA-N -1 1 354.367 -0.095 20 0 FBADMM CC[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@@H]1N1CCOCC1 ZINC000820987663 607220071 /nfs/dbraw/zinc/22/00/71/607220071.db2.gz APNOKIFOWHWHKR-NEPJUHHUSA-N -1 1 361.410 -0.973 20 0 FBADMM CC[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@H]1N1CCOCC1 ZINC000820987664 607220032 /nfs/dbraw/zinc/22/00/32/607220032.db2.gz APNOKIFOWHWHKR-NWDGAFQWSA-N -1 1 361.410 -0.973 20 0 FBADMM CC[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@@H]1N1CCOCC1 ZINC000820987665 607219886 /nfs/dbraw/zinc/21/98/86/607219886.db2.gz APNOKIFOWHWHKR-RYUDHWBXSA-N -1 1 361.410 -0.973 20 0 FBADMM CC[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@H]1N1CCOCC1 ZINC000820987667 607220016 /nfs/dbraw/zinc/22/00/16/607220016.db2.gz APNOKIFOWHWHKR-VXGBXAGGSA-N -1 1 361.410 -0.973 20 0 FBADMM CC[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@@H](CC)CN1C(C)=O ZINC000820989682 607220889 /nfs/dbraw/zinc/22/08/89/607220889.db2.gz YSGYMSMDNLZNJI-NEPJUHHUSA-N -1 1 361.410 -0.294 20 0 FBADMM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820989683 607220937 /nfs/dbraw/zinc/22/09/37/607220937.db2.gz YSGYMSMDNLZNJI-NWDGAFQWSA-N -1 1 361.410 -0.294 20 0 FBADMM CC[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@@H](CC)CN1C(C)=O ZINC000820989684 607221040 /nfs/dbraw/zinc/22/10/40/607221040.db2.gz YSGYMSMDNLZNJI-RYUDHWBXSA-N -1 1 361.410 -0.294 20 0 FBADMM CC[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@H](CC)CN1C(C)=O ZINC000820989685 607221062 /nfs/dbraw/zinc/22/10/62/607221062.db2.gz YSGYMSMDNLZNJI-VXGBXAGGSA-N -1 1 361.410 -0.294 20 0 FBADMM CCCC(=O)NCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821009480 606823910 /nfs/dbraw/zinc/82/39/10/606823910.db2.gz SKHMFUCQYICHHM-LLVKDONJSA-N -1 1 373.421 -0.390 20 0 FBADMM CCCC(=O)NCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821009480 606823909 /nfs/dbraw/zinc/82/39/09/606823909.db2.gz SKHMFUCQYICHHM-LLVKDONJSA-N -1 1 373.421 -0.390 20 0 FBADMM CCCC(=O)NCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821009481 606823602 /nfs/dbraw/zinc/82/36/02/606823602.db2.gz SKHMFUCQYICHHM-NSHDSACASA-N -1 1 373.421 -0.390 20 0 FBADMM CCCC(=O)NCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821009481 606823601 /nfs/dbraw/zinc/82/36/01/606823601.db2.gz SKHMFUCQYICHHM-NSHDSACASA-N -1 1 373.421 -0.390 20 0 FBADMM CCCCC[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(=O)OC ZINC000821048709 606430156 /nfs/dbraw/zinc/43/01/56/606430156.db2.gz GDZMDQFUSZFTMA-SECBINFHSA-N -1 1 365.394 -0.202 20 0 FBADMM CCCCC[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(=O)OC ZINC000821048710 606429958 /nfs/dbraw/zinc/42/99/58/606429958.db2.gz GDZMDQFUSZFTMA-VIFPVBQESA-N -1 1 365.394 -0.202 20 0 FBADMM CCCCNC(=O)[C@H]1CSCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821065465 607211939 /nfs/dbraw/zinc/21/19/39/607211939.db2.gz JKCZHILUGOVLJP-SECBINFHSA-N -1 1 365.423 -0.724 20 0 FBADMM CCCCNC(=O)[C@@H]1CSCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821065466 607212226 /nfs/dbraw/zinc/21/22/26/607212226.db2.gz JKCZHILUGOVLJP-VIFPVBQESA-N -1 1 365.423 -0.724 20 0 FBADMM CCCCNC(=O)[C@@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821066330 607212194 /nfs/dbraw/zinc/21/21/94/607212194.db2.gz SSWXENTXUBTNHG-LLVKDONJSA-N -1 1 361.410 -0.387 20 0 FBADMM CCCCNC(=O)[C@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821066334 607211969 /nfs/dbraw/zinc/21/19/69/607211969.db2.gz SSWXENTXUBTNHG-NSHDSACASA-N -1 1 361.410 -0.387 20 0 FBADMM CCCCOCCOCCNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821077767 599102519 /nfs/dbraw/zinc/10/25/19/599102519.db2.gz SEMNIPUDPAHAAD-UHFFFAOYSA-N -1 1 367.410 -0.491 20 0 FBADMM CCCN(C)C(=O)[C@H]1CSCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821081874 607212046 /nfs/dbraw/zinc/21/20/46/607212046.db2.gz CQJFQZRZEZYTJL-SECBINFHSA-N -1 1 365.423 -0.772 20 0 FBADMM CCCN(C)C(=O)[C@@H]1CSCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821081875 607211992 /nfs/dbraw/zinc/21/19/92/607211992.db2.gz CQJFQZRZEZYTJL-VIFPVBQESA-N -1 1 365.423 -0.772 20 0 FBADMM CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC000821090012 661080814 /nfs/dbraw/zinc/08/08/14/661080814.db2.gz PKMUGSWGJIRBTL-UHFFFAOYSA-N -1 1 354.410 -0.859 20 0 FBADMM CCCNC(=O)C1(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CCCCC1 ZINC000821113646 607212434 /nfs/dbraw/zinc/21/24/34/607212434.db2.gz AZXXOJHEQWQTSS-UHFFFAOYSA-N -1 1 361.410 -0.197 20 0 FBADMM CCCNC(=O)CN(CCC)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821114424 606164225 /nfs/dbraw/zinc/16/42/25/606164225.db2.gz RKXSUMSATRMWMR-UHFFFAOYSA-N -1 1 364.410 -0.993 20 0 FBADMM CCCNC(=O)CN(C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821114457 606130604 /nfs/dbraw/zinc/13/06/04/606130604.db2.gz SRBHVCVJAZINOU-UHFFFAOYSA-N -1 1 361.362 -0.597 20 0 FBADMM CCCNC(=O)CN(C)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821114457 606130603 /nfs/dbraw/zinc/13/06/03/606130603.db2.gz SRBHVCVJAZINOU-UHFFFAOYSA-N -1 1 361.362 -0.597 20 0 FBADMM CCCS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821138679 606848490 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CCN(C(=O)Cn1cccc(-c2nn[n-]n2)c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000821153909 661081632 /nfs/dbraw/zinc/08/16/32/661081632.db2.gz GZFSNZXCMJTTNT-SNVBAGLBSA-N -1 1 366.403 -0.936 20 0 FBADMM CCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H](C)CS(=O)(=O)CC ZINC000821154641 607216449 /nfs/dbraw/zinc/21/64/49/607216449.db2.gz QRYCMGMAFNOEAI-SECBINFHSA-N -1 1 356.412 -0.870 20 0 FBADMM CCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H](C)CS(=O)(=O)CC ZINC000821154642 607216434 /nfs/dbraw/zinc/21/64/34/607216434.db2.gz QRYCMGMAFNOEAI-VIFPVBQESA-N -1 1 356.412 -0.870 20 0 FBADMM CCN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@H](C)CS(C)(=O)=O ZINC000821155033 606171033 /nfs/dbraw/zinc/17/10/33/606171033.db2.gz VBCDWMVNLZSAAK-MRVPVSSYSA-N -1 1 356.412 -0.113 20 0 FBADMM CCN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@H](C)CS(C)(=O)=O ZINC000821155033 606171031 /nfs/dbraw/zinc/17/10/31/606171031.db2.gz VBCDWMVNLZSAAK-MRVPVSSYSA-N -1 1 356.412 -0.113 20 0 FBADMM CCN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@@H](C)CS(C)(=O)=O ZINC000821155035 606170956 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CCNS(=O)(=O)c1cccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC000821294079 606288325 /nfs/dbraw/zinc/28/83/25/606288325.db2.gz RKYKFNGVBSPNFA-UHFFFAOYSA-N -1 1 362.375 -0.368 20 0 FBADMM CCNS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821294651 606848365 /nfs/dbraw/zinc/84/83/65/606848365.db2.gz WPZJKPRRNJVVQH-SECBINFHSA-N -1 1 353.412 -0.979 20 0 FBADMM CCNS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821294651 606848363 /nfs/dbraw/zinc/84/83/63/606848363.db2.gz WPZJKPRRNJVVQH-SECBINFHSA-N -1 1 353.412 -0.979 20 0 FBADMM CCNS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821294653 606848352 /nfs/dbraw/zinc/84/83/52/606848352.db2.gz WPZJKPRRNJVVQH-VIFPVBQESA-N -1 1 353.412 -0.979 20 0 FBADMM CCNS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821294653 606848350 /nfs/dbraw/zinc/84/83/50/606848350.db2.gz WPZJKPRRNJVVQH-VIFPVBQESA-N -1 1 353.412 -0.979 20 0 FBADMM CCNC(=O)c1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821294790 607207938 /nfs/dbraw/zinc/20/79/38/607207938.db2.gz YDLDJCOGUJRWAQ-UHFFFAOYSA-N -1 1 355.362 -0.476 20 0 FBADMM CCOC(=O)C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821313116 606564868 /nfs/dbraw/zinc/56/48/68/606564868.db2.gz AESRMJBPDWJQJO-UHFFFAOYSA-N -1 1 364.387 -0.224 20 0 FBADMM CCOC(=O)C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821313116 606564866 /nfs/dbraw/zinc/56/48/66/606564866.db2.gz AESRMJBPDWJQJO-UHFFFAOYSA-N -1 1 364.387 -0.224 20 0 FBADMM CCOC(=O)C(C)(C)n1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cn1 ZINC000821315732 607224335 /nfs/dbraw/zinc/22/43/35/607224335.db2.gz VYLWAJCFVGMPEZ-UHFFFAOYSA-N -1 1 374.365 -0.408 20 0 FBADMM CCOC(=O)[C@@H](CC)Sc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821319823 606138740 /nfs/dbraw/zinc/13/87/40/606138740.db2.gz HHSMQVYHPHIQNE-SSDOTTSWSA-N -1 1 354.392 -0.302 20 0 FBADMM CCOC(=O)[C@H](CC)Sc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821319824 606138721 /nfs/dbraw/zinc/13/87/21/606138721.db2.gz HHSMQVYHPHIQNE-ZETCQYMHSA-N -1 1 354.392 -0.302 20 0 FBADMM CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821319877 607210082 /nfs/dbraw/zinc/21/00/82/607210082.db2.gz ITOKKIQIRNGQPY-GFCCVEGCSA-N -1 1 370.373 -0.251 20 0 FBADMM CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821319878 607210163 /nfs/dbraw/zinc/21/01/63/607210163.db2.gz ITOKKIQIRNGQPY-LBPRGKRZSA-N -1 1 370.373 -0.251 20 0 FBADMM CCOC(=O)C1(O)CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000821319913 606658178 /nfs/dbraw/zinc/65/81/78/606658178.db2.gz JOXWNZIXGMCDAT-UHFFFAOYSA-N -1 1 364.366 -0.478 20 0 FBADMM CCOC(=O)C1(O)CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000821319913 606658177 /nfs/dbraw/zinc/65/81/77/606658177.db2.gz JOXWNZIXGMCDAT-UHFFFAOYSA-N -1 1 364.366 -0.478 20 0 FBADMM CCOC(=O)[C@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000821320101 607219247 /nfs/dbraw/zinc/21/92/47/607219247.db2.gz KLVGFEKIGFYEEX-GFCCVEGCSA-N -1 1 370.373 -0.079 20 0 FBADMM CCOC(=O)[C@@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000821320107 607219476 /nfs/dbraw/zinc/21/94/76/607219476.db2.gz KLVGFEKIGFYEEX-LBPRGKRZSA-N -1 1 370.373 -0.079 20 0 FBADMM CCOC(=O)CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821325792 606831739 /nfs/dbraw/zinc/83/17/39/606831739.db2.gz NCYOLVKYCFZBRS-JTQLQIEISA-N -1 1 360.378 -0.353 20 0 FBADMM CCOC(=O)CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821325792 606831738 /nfs/dbraw/zinc/83/17/38/606831738.db2.gz NCYOLVKYCFZBRS-JTQLQIEISA-N -1 1 360.378 -0.353 20 0 FBADMM CCOC(=O)CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821325793 606831321 /nfs/dbraw/zinc/83/13/21/606831321.db2.gz NCYOLVKYCFZBRS-SNVBAGLBSA-N -1 1 360.378 -0.353 20 0 FBADMM CCOC(=O)CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821325793 606831319 /nfs/dbraw/zinc/83/13/19/606831319.db2.gz NCYOLVKYCFZBRS-SNVBAGLBSA-N -1 1 360.378 -0.353 20 0 FBADMM CCOC(=O)[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCO1 ZINC000821326012 606169948 /nfs/dbraw/zinc/16/99/48/606169948.db2.gz QZPTYQVUVOCGAR-SECBINFHSA-N -1 1 350.339 -0.604 20 0 FBADMM CCOC(=O)[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCO1 ZINC000821326012 606169947 /nfs/dbraw/zinc/16/99/47/606169947.db2.gz QZPTYQVUVOCGAR-SECBINFHSA-N -1 1 350.339 -0.604 20 0 FBADMM CCOC(=O)[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCO1 ZINC000821326013 606169814 /nfs/dbraw/zinc/16/98/14/606169814.db2.gz QZPTYQVUVOCGAR-VIFPVBQESA-N -1 1 350.339 -0.604 20 0 FBADMM CCOC(=O)[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCO1 ZINC000821326013 606169812 /nfs/dbraw/zinc/16/98/12/606169812.db2.gz QZPTYQVUVOCGAR-VIFPVBQESA-N -1 1 350.339 -0.604 20 0 FBADMM CCOC(=O)COCCn1cc(C(=O)OC)cc(-c2nn[n-]n2)c1=O ZINC000821330095 606703641 /nfs/dbraw/zinc/70/36/41/606703641.db2.gz DAMJOGIMUXZJDL-UHFFFAOYSA-N -1 1 351.319 -0.605 20 0 FBADMM CCOC(=O)CNC(=O)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000821330469 607384919 /nfs/dbraw/zinc/38/49/19/607384919.db2.gz LHMRKQWBHORJOY-UHFFFAOYSA-N -1 1 360.378 -0.448 20 0 FBADMM CCOC(=O)CNC(=O)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000821330469 607384918 /nfs/dbraw/zinc/38/49/18/607384918.db2.gz LHMRKQWBHORJOY-UHFFFAOYSA-N -1 1 360.378 -0.448 20 0 FBADMM CCOC(=O)N(C)C1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000821334074 607213519 /nfs/dbraw/zinc/21/35/19/607213519.db2.gz HLWVBPUAJJCNHS-UHFFFAOYSA-N -1 1 363.382 -0.463 20 0 FBADMM CCOC(=O)N[C@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)CC(C)C ZINC000821335039 607207565 /nfs/dbraw/zinc/20/75/65/607207565.db2.gz WPEZDBNYKDOTOO-JTQLQIEISA-N -1 1 365.398 -0.265 20 0 FBADMM CCOC(=O)N[C@@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)CC(C)C ZINC000821335040 607207431 /nfs/dbraw/zinc/20/74/31/607207431.db2.gz WPEZDBNYKDOTOO-SNVBAGLBSA-N -1 1 365.398 -0.265 20 0 FBADMM CCOC(=O)c1cc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cn1C ZINC000821337554 606720384 /nfs/dbraw/zinc/72/03/84/606720384.db2.gz JWUJILRHRKWAMH-UHFFFAOYSA-N -1 1 374.361 -0.477 20 0 FBADMM CCOC(=O)[C@@H]1CCCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000821337871 607029524 /nfs/dbraw/zinc/02/95/24/607029524.db2.gz PQGRNAQBPWJKMY-SECBINFHSA-N -1 1 363.378 -0.956 20 0 FBADMM CCOC(=O)[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(C)(C)C ZINC000821338269 606834398 /nfs/dbraw/zinc/83/43/98/606834398.db2.gz UEZOXPXSAGHZML-SECBINFHSA-N -1 1 365.394 -0.346 20 0 FBADMM CCOC(=O)c1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821343488 607210208 /nfs/dbraw/zinc/21/02/08/607210208.db2.gz ONOQFKMTUKDOEI-UHFFFAOYSA-N -1 1 356.346 -0.049 20 0 FBADMM NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)N3CCC(C(=O)[O-])CC3)cc21 ZINC000821357061 597460218 /nfs/dbraw/zinc/46/02/18/597460218.db2.gz FKNMYXLOKBCZPY-UHFFFAOYSA-N -1 1 359.342 -0.077 20 0 FBADMM CCOC[C@H](C(=O)OC)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821368051 607389386 /nfs/dbraw/zinc/38/93/86/607389386.db2.gz QEXYBYWIRSJVSO-LLVKDONJSA-N -1 1 370.391 -0.540 20 0 FBADMM CCOC[C@H](C(=O)OC)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821368051 607389384 /nfs/dbraw/zinc/38/93/84/607389384.db2.gz QEXYBYWIRSJVSO-LLVKDONJSA-N -1 1 370.391 -0.540 20 0 FBADMM CCOC[C@@H](C(=O)OC)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821368056 607389392 /nfs/dbraw/zinc/38/93/92/607389392.db2.gz QEXYBYWIRSJVSO-NSHDSACASA-N -1 1 370.391 -0.540 20 0 FBADMM CCOC[C@@H](C(=O)OC)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821368056 607389390 /nfs/dbraw/zinc/38/93/90/607389390.db2.gz QEXYBYWIRSJVSO-NSHDSACASA-N -1 1 370.391 -0.540 20 0 FBADMM CCOCCS(=O)(=O)NCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000821384119 607109340 /nfs/dbraw/zinc/10/93/40/607109340.db2.gz PXFFZJVJNAWISW-UHFFFAOYSA-N -1 1 370.391 -0.533 20 0 FBADMM CCOCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821384322 606789448 /nfs/dbraw/zinc/78/94/48/606789448.db2.gz VFULKSGWGHLZRP-LLVKDONJSA-N -1 1 361.410 -0.087 20 0 FBADMM CCOCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821384322 606789446 /nfs/dbraw/zinc/78/94/46/606789446.db2.gz VFULKSGWGHLZRP-LLVKDONJSA-N -1 1 361.410 -0.087 20 0 FBADMM CCOCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821384323 606789257 /nfs/dbraw/zinc/78/92/57/606789257.db2.gz VFULKSGWGHLZRP-NSHDSACASA-N -1 1 361.410 -0.087 20 0 FBADMM CCOCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821384323 606789256 /nfs/dbraw/zinc/78/92/56/606789256.db2.gz VFULKSGWGHLZRP-NSHDSACASA-N -1 1 361.410 -0.087 20 0 FBADMM CCOc1ccc(NC(=O)CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821422002 607210151 /nfs/dbraw/zinc/21/01/51/607210151.db2.gz JMJNCSGWWIIQDZ-UHFFFAOYSA-N -1 1 371.361 -0.388 20 0 FBADMM CCOc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(C(N)=O)c1 ZINC000821422023 607218088 /nfs/dbraw/zinc/21/80/88/607218088.db2.gz KCFVRIMLJKDFAD-UHFFFAOYSA-N -1 1 357.334 -0.406 20 0 FBADMM CCOc1cccc(CCNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)n1 ZINC000821427166 606721062 /nfs/dbraw/zinc/72/10/62/606721062.db2.gz NIBKGIIHMJUVJC-UHFFFAOYSA-N -1 1 372.389 -0.288 20 0 FBADMM CCOc1ncnc2c1CN(C(=O)Cn1cnc(-c3nn[n-]n3)n1)CC2 ZINC000821437740 607222126 /nfs/dbraw/zinc/22/21/26/607222126.db2.gz RKYARUQFLICUJB-UHFFFAOYSA-N -1 1 356.350 -0.768 20 0 FBADMM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821440784 606172975 /nfs/dbraw/zinc/17/29/75/606172975.db2.gz CCZZERMJEBSPRT-MRVPVSSYSA-N -1 1 356.412 -0.113 20 0 FBADMM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821440784 606172974 /nfs/dbraw/zinc/17/29/74/606172974.db2.gz CCZZERMJEBSPRT-MRVPVSSYSA-N -1 1 356.412 -0.113 20 0 FBADMM CCS(=O)(=O)C[C@H](C)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821440790 606172769 /nfs/dbraw/zinc/17/27/69/606172769.db2.gz CCZZERMJEBSPRT-QMMMGPOBSA-N -1 1 356.412 -0.113 20 0 FBADMM CCS(=O)(=O)C[C@H](C)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821440790 606172767 /nfs/dbraw/zinc/17/27/67/606172767.db2.gz CCZZERMJEBSPRT-QMMMGPOBSA-N -1 1 356.412 -0.113 20 0 FBADMM CCS(=O)(=O)NCCCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821440825 606597425 /nfs/dbraw/zinc/59/74/25/606597425.db2.gz DCFMPVSNUYIUIN-UHFFFAOYSA-N -1 1 357.400 -0.949 20 0 FBADMM CCS(=O)(=O)NCCCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821440825 606597424 /nfs/dbraw/zinc/59/74/24/606597424.db2.gz DCFMPVSNUYIUIN-UHFFFAOYSA-N -1 1 357.400 -0.949 20 0 FBADMM CCS(=O)(=O)N(C)CCCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821440830 606165552 /nfs/dbraw/zinc/16/55/52/606165552.db2.gz DESYKZCODZNBRC-UHFFFAOYSA-N -1 1 371.427 -0.607 20 0 FBADMM CCS(=O)(=O)N(C)CCCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821440830 606165550 /nfs/dbraw/zinc/16/55/50/606165550.db2.gz DESYKZCODZNBRC-UHFFFAOYSA-N -1 1 371.427 -0.607 20 0 FBADMM CCS(=O)(=O)N1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000821441293 606596167 /nfs/dbraw/zinc/59/61/67/606596167.db2.gz KBRWBAIDVRKQJV-UHFFFAOYSA-N -1 1 369.411 -0.901 20 0 FBADMM CCS(=O)(=O)N1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000821441293 606596165 /nfs/dbraw/zinc/59/61/65/606596165.db2.gz KBRWBAIDVRKQJV-UHFFFAOYSA-N -1 1 369.411 -0.901 20 0 FBADMM CCS(=O)(=O)CCN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821442945 606781380 /nfs/dbraw/zinc/78/13/80/606781380.db2.gz YJTCNAYRBLROMC-LLVKDONJSA-N -1 1 366.451 -0.398 20 0 FBADMM CCS(=O)(=O)CCN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821442945 606781378 /nfs/dbraw/zinc/78/13/78/606781378.db2.gz YJTCNAYRBLROMC-LLVKDONJSA-N -1 1 366.451 -0.398 20 0 FBADMM CCS(=O)(=O)CCN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821442946 606781526 /nfs/dbraw/zinc/78/15/26/606781526.db2.gz YJTCNAYRBLROMC-NSHDSACASA-N -1 1 366.451 -0.398 20 0 FBADMM CCS(=O)(=O)CCN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821442946 606781524 /nfs/dbraw/zinc/78/15/24/606781524.db2.gz YJTCNAYRBLROMC-NSHDSACASA-N -1 1 366.451 -0.398 20 0 FBADMM CC[S@](=O)[C@H]1CCC[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821446757 607221434 /nfs/dbraw/zinc/22/14/34/607221434.db2.gz CVOXWSWCALFFMP-BYGADWOMSA-N -1 1 352.424 -0.346 20 0 FBADMM CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821446759 607221428 /nfs/dbraw/zinc/22/14/28/607221428.db2.gz CVOXWSWCALFFMP-IGSRQBSMSA-N -1 1 352.424 -0.346 20 0 FBADMM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821446761 607221660 /nfs/dbraw/zinc/22/16/60/607221660.db2.gz CVOXWSWCALFFMP-MZEXLTETSA-N -1 1 352.424 -0.346 20 0 FBADMM CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821446763 607221401 /nfs/dbraw/zinc/22/14/01/607221401.db2.gz CVOXWSWCALFFMP-ROXXKOOQSA-N -1 1 352.424 -0.346 20 0 FBADMM CCc1cccc(NC(=O)CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821492673 607212061 /nfs/dbraw/zinc/21/20/61/607212061.db2.gz SMXUMWCXJOROQW-UHFFFAOYSA-N -1 1 355.362 -0.225 20 0 FBADMM CCc1cnc(CCNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)s1 ZINC000821496461 599083286 /nfs/dbraw/zinc/08/32/86/599083286.db2.gz GKIOXWQAFGIOQK-UHFFFAOYSA-N -1 1 362.419 -0.062 20 0 FBADMM CCc1cnc(CN(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)s1 ZINC000821497230 606164351 /nfs/dbraw/zinc/16/43/51/606164351.db2.gz RATDFFKBVXMYIR-UHFFFAOYSA-N -1 1 362.419 -0.081 20 0 FBADMM CCc1cnc(N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)s1 ZINC000821499288 607219563 /nfs/dbraw/zinc/21/95/63/607219563.db2.gz HOVBVCWYRDAMMF-UHFFFAOYSA-N -1 1 374.434 -0.174 20 0 FBADMM CCc1nc(C2(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)CCCC2)no1 ZINC000821504995 607221499 /nfs/dbraw/zinc/22/14/99/607221499.db2.gz NWLGVAZLSIGATJ-UHFFFAOYSA-N -1 1 358.366 -0.011 20 0 FBADMM CCc1nc2n(n1)C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)CC2 ZINC000821509722 606164049 /nfs/dbraw/zinc/16/40/49/606164049.db2.gz MEAORIUKRHYKEM-MRVPVSSYSA-N -1 1 357.382 -0.109 20 0 FBADMM CCc1nc2n(n1)C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)CC2 ZINC000821509722 606164048 /nfs/dbraw/zinc/16/40/48/606164048.db2.gz MEAORIUKRHYKEM-MRVPVSSYSA-N -1 1 357.382 -0.109 20 0 FBADMM CCc1nc2n(n1)C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)CC2 ZINC000821509724 606163691 /nfs/dbraw/zinc/16/36/91/606163691.db2.gz MEAORIUKRHYKEM-QMMMGPOBSA-N -1 1 357.382 -0.109 20 0 FBADMM CCc1nc2n(n1)C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)CC2 ZINC000821509724 606163689 /nfs/dbraw/zinc/16/36/89/606163689.db2.gz MEAORIUKRHYKEM-QMMMGPOBSA-N -1 1 357.382 -0.109 20 0 FBADMM CCc1nc2n(n1)CCC[C@H]2Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821510199 606729054 /nfs/dbraw/zinc/72/90/54/606729054.db2.gz YQLGRVGLZQLXNZ-MRVPVSSYSA-N -1 1 372.393 -0.635 20 0 FBADMM CCc1nc2n(n1)CCC[C@@H]2Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821510252 606729498 /nfs/dbraw/zinc/72/94/98/606729498.db2.gz YQLGRVGLZQLXNZ-QMMMGPOBSA-N -1 1 372.393 -0.635 20 0 FBADMM CCc1nn(CCCOC(=O)NC(N)=O)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821517531 607304529 /nfs/dbraw/zinc/30/45/29/607304529.db2.gz KEISQDVKZBYVSS-UHFFFAOYSA-N -1 1 364.366 -0.257 20 0 FBADMM CCc1nn(CCN2CCCS2(=O)=O)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821517669 607466022 /nfs/dbraw/zinc/46/60/22/607466022.db2.gz MKXASKPJGBZMLB-UHFFFAOYSA-N -1 1 367.435 -0.416 20 0 FBADMM CCc1nnc(N2CCC[N@H+](CC(N)=O)CC2)c(-c2nn[nH]n2)c1CC ZINC000821522687 606921931 /nfs/dbraw/zinc/92/19/31/606921931.db2.gz NQNVGLHJDPEIFD-UHFFFAOYSA-N -1 1 359.438 -0.221 20 0 FBADMM CCc1nnc(SCc2cc(=O)n3ncc(-c4nn[n-]n4)c3[nH]2)n1N ZINC000821547818 607169558 /nfs/dbraw/zinc/16/95/58/607169558.db2.gz CRUPLVVPCCGEFU-UHFFFAOYSA-N -1 1 359.379 -0.225 20 0 FBADMM CCC1N=NC(=S)N1CCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821548639 606579652 /nfs/dbraw/zinc/57/96/52/606579652.db2.gz RQCMMJOCHPPFSN-UHFFFAOYSA-N -1 1 363.411 -0.136 20 0 FBADMM CCC1N=NC(=S)N1CCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821548639 606579650 /nfs/dbraw/zinc/57/96/50/606579650.db2.gz RQCMMJOCHPPFSN-UHFFFAOYSA-N -1 1 363.411 -0.136 20 0 FBADMM CCc1noc(CC)c1CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821558991 606724635 /nfs/dbraw/zinc/72/46/35/606724635.db2.gz NUUFNBFASOFILM-UHFFFAOYSA-N -1 1 360.378 -0.011 20 0 FBADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCCNC(=O)C(F)(F)F)c1=O ZINC000821565381 606825026 /nfs/dbraw/zinc/82/50/26/606825026.db2.gz QGXHCFHBGGKCNX-UHFFFAOYSA-N -1 1 361.284 -0.721 20 0 FBADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCCS(=O)(=O)C(C)C)c1=O ZINC000821565425 607007053 /nfs/dbraw/zinc/00/70/53/607007053.db2.gz SBXOHYXRJMMCBL-UHFFFAOYSA-N -1 1 356.408 -0.577 20 0 FBADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(-n3ccnc3)nc2)c1=O ZINC000821565451 606332610 /nfs/dbraw/zinc/33/26/10/606332610.db2.gz UAQXBGBWMCTEJK-UHFFFAOYSA-N -1 1 365.357 -0.161 20 0 FBADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCCNC(=O)C2CCCC2)c1=O ZINC000821565526 606429319 /nfs/dbraw/zinc/42/93/19/606429319.db2.gz XHJDUJNTYCFIOD-UHFFFAOYSA-N -1 1 361.406 -0.094 20 0 FBADMM CCn1ccnc1CN1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000821566475 607215998 /nfs/dbraw/zinc/21/59/98/607215998.db2.gz GJETWVQHBJFIOS-UHFFFAOYSA-N -1 1 371.409 -0.981 20 0 FBADMM CCn1nc2c(cc1=O)CN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)CC2 ZINC000821568100 606579394 /nfs/dbraw/zinc/57/93/94/606579394.db2.gz HAUPZJOMIWPBBA-UHFFFAOYSA-N -1 1 370.377 -0.233 20 0 FBADMM CCn1nc2c(cc1=O)CN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)CC2 ZINC000821568100 606579392 /nfs/dbraw/zinc/57/93/92/606579392.db2.gz HAUPZJOMIWPBBA-UHFFFAOYSA-N -1 1 370.377 -0.233 20 0 FBADMM CCn1ncc2c1CCC[C@@H]2Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821568368 606241208 /nfs/dbraw/zinc/24/12/08/606241208.db2.gz RIJOIZBHALGKKK-JTQLQIEISA-N -1 1 371.405 -0.030 20 0 FBADMM CCn1ncc2c1CCC[C@H]2Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821568369 606241452 /nfs/dbraw/zinc/24/14/52/606241452.db2.gz RIJOIZBHALGKKK-SNVBAGLBSA-N -1 1 371.405 -0.030 20 0 FBADMM CCn1nnnc1-c1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821568474 607218021 /nfs/dbraw/zinc/21/80/21/607218021.db2.gz WDAQKBMAPKRXKR-UHFFFAOYSA-N -1 1 366.349 -0.230 20 0 FBADMM CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000821571773 607218145 /nfs/dbraw/zinc/21/81/45/607218145.db2.gz DZLIPSBDKULUQE-LLVKDONJSA-N -1 1 369.393 -0.624 20 0 FBADMM CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1CCCN(c2cccnn2)C1 ZINC000821571774 607218049 /nfs/dbraw/zinc/21/80/49/607218049.db2.gz DZLIPSBDKULUQE-NSHDSACASA-N -1 1 369.393 -0.624 20 0 FBADMM CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000821571833 607216091 /nfs/dbraw/zinc/21/60/91/607216091.db2.gz HLZZJMNIKNAEFC-GFCCVEGCSA-N -1 1 367.373 -0.278 20 0 FBADMM CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000821571834 607216076 /nfs/dbraw/zinc/21/60/76/607216076.db2.gz HLZZJMNIKNAEFC-LBPRGKRZSA-N -1 1 367.373 -0.278 20 0 FBADMM CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000821572181 607217014 /nfs/dbraw/zinc/21/70/14/607217014.db2.gz VBYMZMZPWSNSJT-SSDOTTSWSA-N -1 1 373.299 -0.920 20 0 FBADMM CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000821572182 607217098 /nfs/dbraw/zinc/21/70/98/607217098.db2.gz VBYMZMZPWSNSJT-ZETCQYMHSA-N -1 1 373.299 -0.920 20 0 FBADMM CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000821572183 607218696 /nfs/dbraw/zinc/21/86/96/607218696.db2.gz VCSCMZFZXFOOGN-NXEZZACHSA-N -1 1 368.423 -0.728 20 0 FBADMM CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000821572184 607218672 /nfs/dbraw/zinc/21/86/72/607218672.db2.gz VCSCMZFZXFOOGN-UWVGGRQHSA-N -1 1 368.423 -0.728 20 0 FBADMM CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000821572185 607218768 /nfs/dbraw/zinc/21/87/68/607218768.db2.gz VCSCMZFZXFOOGN-VHSXEESVSA-N -1 1 368.423 -0.728 20 0 FBADMM CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000821572186 607218930 /nfs/dbraw/zinc/21/89/30/607218930.db2.gz VCSCMZFZXFOOGN-ZJUUUORDSA-N -1 1 368.423 -0.728 20 0 FBADMM CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821574391 607215926 /nfs/dbraw/zinc/21/59/26/607215926.db2.gz FCLUWZNQBUVSQX-GFCCVEGCSA-N -1 1 369.389 -0.726 20 0 FBADMM CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821574392 607216019 /nfs/dbraw/zinc/21/60/19/607216019.db2.gz FCLUWZNQBUVSQX-LBPRGKRZSA-N -1 1 369.389 -0.726 20 0 FBADMM CN(C)C(=O)C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000821575601 607210238 /nfs/dbraw/zinc/21/02/38/607210238.db2.gz IMCHPUHJMJNFIG-GFCCVEGCSA-N -1 1 369.389 -0.206 20 0 FBADMM CN(C)C(=O)C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000821575602 607210241 /nfs/dbraw/zinc/21/02/41/607210241.db2.gz IMCHPUHJMJNFIG-LBPRGKRZSA-N -1 1 369.389 -0.206 20 0 FBADMM CN(C)C(=O)COc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821577885 607207338 /nfs/dbraw/zinc/20/73/38/607207338.db2.gz BHUBACWBOQOFTB-UHFFFAOYSA-N -1 1 371.361 -0.436 20 0 FBADMM CN(C)C(=O)COc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821577986 607208164 /nfs/dbraw/zinc/20/81/64/607208164.db2.gz IDAHQENPHXMTPP-UHFFFAOYSA-N -1 1 371.361 -0.436 20 0 FBADMM CN(C)C(=O)Cn1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)nn1 ZINC000821578048 606647976 /nfs/dbraw/zinc/64/79/76/606647976.db2.gz KYVMVIITMONXAA-UHFFFAOYSA-N -1 1 357.334 -0.702 20 0 FBADMM CN(C)C(=O)Cn1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)nn1 ZINC000821578048 606647975 /nfs/dbraw/zinc/64/79/75/606647975.db2.gz KYVMVIITMONXAA-UHFFFAOYSA-N -1 1 357.334 -0.702 20 0 FBADMM CN(C)C(=O)Cn1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])nn1 ZINC000821578075 606294020 /nfs/dbraw/zinc/29/40/20/606294020.db2.gz MKXDNCUDGGXAGS-UHFFFAOYSA-N -1 1 357.334 -0.496 20 0 FBADMM CN(C)C(=O)Cn1cc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cn1 ZINC000821578205 606596301 /nfs/dbraw/zinc/59/63/01/606596301.db2.gz SOAQZIYLZCOQHS-UHFFFAOYSA-N -1 1 359.354 -0.471 20 0 FBADMM CN(C)C(=O)Cn1cc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cn1 ZINC000821578205 606596300 /nfs/dbraw/zinc/59/63/00/606596300.db2.gz SOAQZIYLZCOQHS-UHFFFAOYSA-N -1 1 359.354 -0.471 20 0 FBADMM CN(C)C(=O)c1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)ccc1F ZINC000821578253 607222376 /nfs/dbraw/zinc/22/23/76/607222376.db2.gz VQEJEAYTAXRIBH-UHFFFAOYSA-N -1 1 359.325 -0.062 20 0 FBADMM CN(C)S(=O)(=O)N(C)CCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821588300 606178993 /nfs/dbraw/zinc/17/89/93/606178993.db2.gz LFLGTRVWWPENIE-UHFFFAOYSA-N -1 1 360.421 -0.177 20 0 FBADMM CN(C)S(=O)(=O)N(C)CCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821588300 606178991 /nfs/dbraw/zinc/17/89/91/606178991.db2.gz LFLGTRVWWPENIE-UHFFFAOYSA-N -1 1 360.421 -0.177 20 0 FBADMM CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821588413 606506996 /nfs/dbraw/zinc/50/69/96/606506996.db2.gz QZKPXWURRBAXRM-UHFFFAOYSA-N -1 1 371.448 -0.508 20 0 FBADMM CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821588413 606506994 /nfs/dbraw/zinc/50/69/94/606506994.db2.gz QZKPXWURRBAXRM-UHFFFAOYSA-N -1 1 371.448 -0.508 20 0 FBADMM CN(C)c1nc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cs1 ZINC000821590825 606142631 /nfs/dbraw/zinc/14/26/31/606142631.db2.gz HSKFZPUWFKHXLM-UHFFFAOYSA-N -1 1 363.407 -0.601 20 0 FBADMM CN(C)c1cccc(CN(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000821590864 607306957 /nfs/dbraw/zinc/30/69/57/607306957.db2.gz JTAXHFWYMFGKQQ-UHFFFAOYSA-N -1 1 370.417 -0.034 20 0 FBADMM CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821592414 606840865 /nfs/dbraw/zinc/84/08/65/606840865.db2.gz FATPDBGKFGOVSS-UHFFFAOYSA-N -1 1 354.367 -0.095 20 0 FBADMM CN(CC(=O)NCc1ccccc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821592663 607218753 /nfs/dbraw/zinc/21/87/53/607218753.db2.gz OWRTXDBEPXKNHC-UHFFFAOYSA-N -1 1 355.362 -0.767 20 0 FBADMM CN(CC(=O)NCc1cccs1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821592755 607216964 /nfs/dbraw/zinc/21/69/64/607216964.db2.gz TZPVMNSWJRJCEP-UHFFFAOYSA-N -1 1 361.391 -0.706 20 0 FBADMM CN(CC(=O)NC1CC1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821592774 599335494 /nfs/dbraw/zinc/33/54/94/599335494.db2.gz UUTXFWXHRITIBP-UHFFFAOYSA-N -1 1 354.367 -0.095 20 0 FBADMM CN(CC(=O)NC1CC1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821592774 599335491 /nfs/dbraw/zinc/33/54/91/599335491.db2.gz UUTXFWXHRITIBP-UHFFFAOYSA-N -1 1 354.367 -0.095 20 0 FBADMM CN(CC(=O)Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000821593600 607109365 /nfs/dbraw/zinc/10/93/65/607109365.db2.gz ATGJRSJWQBCDRF-SSDOTTSWSA-N -1 1 357.421 -0.619 20 0 FBADMM CN(CC(=O)Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000821593600 607109363 /nfs/dbraw/zinc/10/93/63/607109363.db2.gz ATGJRSJWQBCDRF-SSDOTTSWSA-N -1 1 357.421 -0.619 20 0 FBADMM CN(CC(=O)Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000821593601 607109257 /nfs/dbraw/zinc/10/92/57/607109257.db2.gz ATGJRSJWQBCDRF-ZETCQYMHSA-N -1 1 357.421 -0.619 20 0 FBADMM CN(CC(=O)Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000821593601 607109256 /nfs/dbraw/zinc/10/92/56/607109256.db2.gz ATGJRSJWQBCDRF-ZETCQYMHSA-N -1 1 357.421 -0.619 20 0 FBADMM CN(CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000821593945 606293921 /nfs/dbraw/zinc/29/39/21/606293921.db2.gz RFXIBHYINXPUNO-JTQLQIEISA-N -1 1 366.403 -0.370 20 0 FBADMM CN(CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000821593946 606293919 /nfs/dbraw/zinc/29/39/19/606293919.db2.gz RFXIBHYINXPUNO-SNVBAGLBSA-N -1 1 366.403 -0.370 20 0 FBADMM CN(CC(=O)Nc1cccc(F)c1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821593988 607205103 /nfs/dbraw/zinc/20/51/03/607205103.db2.gz SPSRYRQVNRSOMY-UHFFFAOYSA-N -1 1 359.325 -0.306 20 0 FBADMM CN(C[C@@H](O)COCc1ccccc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821595127 607221479 /nfs/dbraw/zinc/22/14/79/607221479.db2.gz NHQOBHNZNYLVLT-CYBMUJFWSA-N -1 1 372.389 -0.506 20 0 FBADMM CN(C[C@H](O)COCc1ccccc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821595128 607221547 /nfs/dbraw/zinc/22/15/47/607221547.db2.gz NHQOBHNZNYLVLT-ZDUSSCGKSA-N -1 1 372.389 -0.506 20 0 FBADMM CN(C[C@H](O)CN1CCOCC1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821595133 606295871 /nfs/dbraw/zinc/29/58/71/606295871.db2.gz NLAHCJSVODHICX-JTQLQIEISA-N -1 1 352.420 -0.307 20 0 FBADMM CN(C[C@@H](O)CN1CCOCC1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821595134 606295787 /nfs/dbraw/zinc/29/57/87/606295787.db2.gz NLAHCJSVODHICX-SNVBAGLBSA-N -1 1 352.420 -0.307 20 0 FBADMM CN(C[C@H]1CCCN1c1cccnn1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821596559 607218105 /nfs/dbraw/zinc/21/81/05/607218105.db2.gz OBQJHEXTTOERDV-LLVKDONJSA-N -1 1 369.393 -0.624 20 0 FBADMM CN(C[C@@H]1CCCN1c1cccnn1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821596560 607218185 /nfs/dbraw/zinc/21/81/85/607218185.db2.gz OBQJHEXTTOERDV-NSHDSACASA-N -1 1 369.393 -0.624 20 0 FBADMM CN(C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)c1cccnn1 ZINC000821597908 607382818 /nfs/dbraw/zinc/38/28/18/607382818.db2.gz LBYMZPQOGCOAFU-LLVKDONJSA-N -1 1 354.378 -0.212 20 0 FBADMM CN(C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)c1cccnn1 ZINC000821597908 607382816 /nfs/dbraw/zinc/38/28/16/607382816.db2.gz LBYMZPQOGCOAFU-LLVKDONJSA-N -1 1 354.378 -0.212 20 0 FBADMM CN(C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)c1cccnn1 ZINC000821597909 607382801 /nfs/dbraw/zinc/38/28/01/607382801.db2.gz LBYMZPQOGCOAFU-NSHDSACASA-N -1 1 354.378 -0.212 20 0 FBADMM CN(C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)c1cccnn1 ZINC000821597909 607382799 /nfs/dbraw/zinc/38/27/99/607382799.db2.gz LBYMZPQOGCOAFU-NSHDSACASA-N -1 1 354.378 -0.212 20 0 FBADMM CN(CCCNC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC000821599100 607209009 /nfs/dbraw/zinc/20/90/09/607209009.db2.gz FVYWIJWYRUGPLP-UHFFFAOYSA-N -1 1 365.398 -0.169 20 0 FBADMM CN(CCCNC(=O)OC(C)(C)C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821599376 607218261 /nfs/dbraw/zinc/21/82/61/607218261.db2.gz QRGDKXVCHOSFNG-UHFFFAOYSA-N -1 1 365.398 -0.169 20 0 FBADMM CN(CCC(=O)OC(C)(C)C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821599396 606950453 /nfs/dbraw/zinc/95/04/53/606950453.db2.gz RPLVYGSHBBYQPN-UHFFFAOYSA-N -1 1 365.394 -0.568 20 0 FBADMM 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JUOOZNWWWWFRHH-UHFFFAOYSA-N -1 1 351.392 -0.497 20 0 FBADMM CN1CCO[C@H]2CN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C[C@H]21 ZINC000821628600 606737827 /nfs/dbraw/zinc/73/78/27/606737827.db2.gz LZTSOTRJTFEXKL-NEPJUHHUSA-N -1 1 368.394 -0.291 20 0 FBADMM CN1CCO[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C[C@@H]21 ZINC000821628601 606737852 /nfs/dbraw/zinc/73/78/52/606737852.db2.gz LZTSOTRJTFEXKL-NWDGAFQWSA-N -1 1 368.394 -0.291 20 0 FBADMM CN1CCO[C@H]2CN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C[C@@H]21 ZINC000821628602 606737950 /nfs/dbraw/zinc/73/79/50/606737950.db2.gz LZTSOTRJTFEXKL-RYUDHWBXSA-N -1 1 368.394 -0.291 20 0 FBADMM CN1CCO[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C[C@H]21 ZINC000821628603 606737963 /nfs/dbraw/zinc/73/79/63/606737963.db2.gz LZTSOTRJTFEXKL-VXGBXAGGSA-N -1 1 368.394 -0.291 20 0 FBADMM CN1CCO[C@@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C[C@H]21 ZINC000821629020 606737714 /nfs/dbraw/zinc/73/77/14/606737714.db2.gz WZJIXEJOQRGGLX-GHMZBOCLSA-N -1 1 368.394 -0.291 20 0 FBADMM CN1CCO[C@@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)C[C@H]21 ZINC000821629020 606737713 /nfs/dbraw/zinc/73/77/13/606737713.db2.gz WZJIXEJOQRGGLX-GHMZBOCLSA-N -1 1 368.394 -0.291 20 0 FBADMM CN1CCO[C@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C[C@H]21 ZINC000821629021 606737846 /nfs/dbraw/zinc/73/78/46/606737846.db2.gz WZJIXEJOQRGGLX-MNOVXSKESA-N -1 1 368.394 -0.291 20 0 FBADMM CN1CCO[C@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)C[C@H]21 ZINC000821629021 606737845 /nfs/dbraw/zinc/73/78/45/606737845.db2.gz WZJIXEJOQRGGLX-MNOVXSKESA-N -1 1 368.394 -0.291 20 0 FBADMM CN1CCO[C@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C[C@@H]21 ZINC000821629022 606737999 /nfs/dbraw/zinc/73/79/99/606737999.db2.gz WZJIXEJOQRGGLX-QWRGUYRKSA-N -1 1 368.394 -0.291 20 0 FBADMM CN1CCO[C@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)C[C@@H]21 ZINC000821629022 606737997 /nfs/dbraw/zinc/73/79/97/606737997.db2.gz WZJIXEJOQRGGLX-QWRGUYRKSA-N -1 1 368.394 -0.291 20 0 FBADMM CN1CCO[C@@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C[C@@H]21 ZINC000821629023 606737750 /nfs/dbraw/zinc/73/77/50/606737750.db2.gz WZJIXEJOQRGGLX-WDEREUQCSA-N -1 1 368.394 -0.291 20 0 FBADMM CN1CCO[C@@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)C[C@@H]21 ZINC000821629023 606737747 /nfs/dbraw/zinc/73/77/47/606737747.db2.gz WZJIXEJOQRGGLX-WDEREUQCSA-N -1 1 368.394 -0.291 20 0 FBADMM CN1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1=O ZINC000821629073 599345487 /nfs/dbraw/zinc/34/54/87/599345487.db2.gz YCTLQBOWQMNAEB-UHFFFAOYSA-N -1 1 356.795 -0.017 20 0 FBADMM CN1CCc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2C1=O ZINC000821629962 607223529 /nfs/dbraw/zinc/22/35/29/607223529.db2.gz HLFAICYWTGQBHZ-UHFFFAOYSA-N -1 1 353.346 -0.275 20 0 FBADMM CN1CCOc2ccc(Nc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)cc21 ZINC000821630336 606140627 /nfs/dbraw/zinc/14/06/27/606140627.db2.gz UXRIVEYIGNPPPU-UHFFFAOYSA-N -1 1 370.373 -0.164 20 0 FBADMM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821631912 606548859 /nfs/dbraw/zinc/54/88/59/606548859.db2.gz XLWZKRWIFMXFQY-MRVPVSSYSA-N -1 1 363.403 -0.605 20 0 FBADMM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821631912 606548857 /nfs/dbraw/zinc/54/88/57/606548857.db2.gz XLWZKRWIFMXFQY-MRVPVSSYSA-N -1 1 363.403 -0.605 20 0 FBADMM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821631913 606549095 /nfs/dbraw/zinc/54/90/95/606549095.db2.gz XLWZKRWIFMXFQY-QMMMGPOBSA-N -1 1 363.403 -0.605 20 0 FBADMM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821631913 606549093 /nfs/dbraw/zinc/54/90/93/606549093.db2.gz XLWZKRWIFMXFQY-QMMMGPOBSA-N -1 1 363.403 -0.605 20 0 FBADMM CNC(=O)[C@@H](NC(=O)Cn1cccc(-c2nn[n-]n2)c1=O)c1ccccc1 ZINC000821631983 606825163 /nfs/dbraw/zinc/82/51/63/606825163.db2.gz ZCFWCBBYHRWINV-AWEZNQCLSA-N -1 1 367.369 -0.368 20 0 FBADMM CNC(=O)[C@H](NC(=O)Cn1cccc(-c2nn[n-]n2)c1=O)c1ccccc1 ZINC000821631984 606825226 /nfs/dbraw/zinc/82/52/26/606825226.db2.gz ZCFWCBBYHRWINV-CQSZACIVSA-N -1 1 367.369 -0.368 20 0 FBADMM CNC(=O)CC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000821632608 599694763 /nfs/dbraw/zinc/69/47/63/599694763.db2.gz AKGXKMQCIJTWPP-UHFFFAOYSA-N -1 1 365.419 -0.202 20 0 FBADMM CNC(=O)CC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000821632608 599694762 /nfs/dbraw/zinc/69/47/62/599694762.db2.gz AKGXKMQCIJTWPP-UHFFFAOYSA-N -1 1 365.419 -0.202 20 0 FBADMM CNC(=O)CCOc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821632612 607214241 /nfs/dbraw/zinc/21/42/41/607214241.db2.gz AQGPWFMQXJWAGF-UHFFFAOYSA-N -1 1 371.361 -0.388 20 0 FBADMM CNC(=O)CN(C)CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000821632792 607362339 /nfs/dbraw/zinc/36/23/39/607362339.db2.gz JQBYRWJHAZALOF-UHFFFAOYSA-N -1 1 369.389 -0.331 20 0 FBADMM CNC(=O)CN(C)CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000821632792 607362337 /nfs/dbraw/zinc/36/23/37/607362337.db2.gz JQBYRWJHAZALOF-UHFFFAOYSA-N -1 1 369.389 -0.331 20 0 FBADMM CNC(=O)N1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CC1 ZINC000821633822 606198042 /nfs/dbraw/zinc/19/80/42/606198042.db2.gz FVBSWGPMYZEDRC-UHFFFAOYSA-N -1 1 362.394 -0.028 20 0 FBADMM CNC(=O)COc1cccc(CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000821634219 607403681 /nfs/dbraw/zinc/40/36/81/607403681.db2.gz XTWXEYMBPQZYCO-UHFFFAOYSA-N -1 1 370.373 -0.094 20 0 FBADMM CNC(=O)COc1cccc(CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821634219 607403680 /nfs/dbraw/zinc/40/36/80/607403680.db2.gz XTWXEYMBPQZYCO-UHFFFAOYSA-N -1 1 370.373 -0.094 20 0 FBADMM CNC(=O)COc1cccc(CC(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC000821634263 607422225 /nfs/dbraw/zinc/42/22/25/607422225.db2.gz ZRPGJVADGJHEDH-UHFFFAOYSA-N -1 1 356.346 -0.347 20 0 FBADMM CNC(=O)[C@@H](C)NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000821634957 606544615 /nfs/dbraw/zinc/54/46/15/606544615.db2.gz CTOMODCQVZEIGJ-SECBINFHSA-N -1 1 371.405 -0.290 20 0 FBADMM CNC(=O)[C@@H](C)NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000821634957 606544613 /nfs/dbraw/zinc/54/46/13/606544613.db2.gz CTOMODCQVZEIGJ-SECBINFHSA-N -1 1 371.405 -0.290 20 0 FBADMM CNC(=O)c1cc(OC)ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821635192 607212685 /nfs/dbraw/zinc/21/26/85/607212685.db2.gz QOPADBNVPQGGBP-UHFFFAOYSA-N -1 1 357.334 -0.535 20 0 FBADMM CNC(=O)c1cc(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)ccn1 ZINC000821635210 606812559 /nfs/dbraw/zinc/81/25/59/606812559.db2.gz RFTPTFUZDCQFOZ-UHFFFAOYSA-N -1 1 374.386 -0.159 20 0 FBADMM CNC(=O)c1cc(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)ccn1 ZINC000821635210 606812557 /nfs/dbraw/zinc/81/25/57/606812557.db2.gz RFTPTFUZDCQFOZ-UHFFFAOYSA-N -1 1 374.386 -0.159 20 0 FBADMM CNS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000821636052 606161353 /nfs/dbraw/zinc/16/13/53/606161353.db2.gz COHGYGYHDKIXSP-MRVPVSSYSA-N -1 1 369.411 -0.854 20 0 FBADMM CNS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000821636052 606161352 /nfs/dbraw/zinc/16/13/52/606161352.db2.gz COHGYGYHDKIXSP-MRVPVSSYSA-N -1 1 369.411 -0.854 20 0 FBADMM CNS(=O)(=O)[C@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000821636053 606161661 /nfs/dbraw/zinc/16/16/61/606161661.db2.gz COHGYGYHDKIXSP-QMMMGPOBSA-N -1 1 369.411 -0.854 20 0 FBADMM CNS(=O)(=O)[C@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000821636053 606161660 /nfs/dbraw/zinc/16/16/60/606161660.db2.gz COHGYGYHDKIXSP-QMMMGPOBSA-N -1 1 369.411 -0.854 20 0 FBADMM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821636298 606590452 /nfs/dbraw/zinc/59/04/52/606590452.db2.gz MQIAQQNUTIPIKF-JTQLQIEISA-N -1 1 351.392 -0.585 20 0 FBADMM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821636298 606590450 /nfs/dbraw/zinc/59/04/50/606590450.db2.gz MQIAQQNUTIPIKF-JTQLQIEISA-N -1 1 351.392 -0.585 20 0 FBADMM CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821636299 606590310 /nfs/dbraw/zinc/59/03/10/606590310.db2.gz MQIAQQNUTIPIKF-SNVBAGLBSA-N -1 1 351.392 -0.585 20 0 FBADMM CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821636299 606590308 /nfs/dbraw/zinc/59/03/08/606590308.db2.gz MQIAQQNUTIPIKF-SNVBAGLBSA-N -1 1 351.392 -0.585 20 0 FBADMM CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821636454 661084792 /nfs/dbraw/zinc/08/47/92/661084792.db2.gz QZOHXMCNRYQJJC-MRVPVSSYSA-N -1 1 369.411 -0.854 20 0 FBADMM CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821636454 661084789 /nfs/dbraw/zinc/08/47/89/661084789.db2.gz QZOHXMCNRYQJJC-MRVPVSSYSA-N -1 1 369.411 -0.854 20 0 FBADMM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821636455 661084648 /nfs/dbraw/zinc/08/46/48/661084648.db2.gz QZOHXMCNRYQJJC-QMMMGPOBSA-N -1 1 369.411 -0.854 20 0 FBADMM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821636455 661084646 /nfs/dbraw/zinc/08/46/46/661084646.db2.gz QZOHXMCNRYQJJC-QMMMGPOBSA-N -1 1 369.411 -0.854 20 0 FBADMM CNC(=O)c1cccnc1N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000821636668 606443389 /nfs/dbraw/zinc/44/33/89/606443389.db2.gz YJOURYLLCCWFGW-UHFFFAOYSA-N -1 1 356.394 -0.004 20 0 FBADMM CNS(=O)(=O)c1csc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC000821637537 661084797 /nfs/dbraw/zinc/08/47/97/661084797.db2.gz KILPENJTWPQGMF-UHFFFAOYSA-N -1 1 354.377 -0.697 20 0 FBADMM COC(=O)[C@@H](CO)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821640391 606201506 /nfs/dbraw/zinc/20/15/06/606201506.db2.gz HOETWWUHKYVFHC-SECBINFHSA-N -1 1 360.330 -0.177 20 0 FBADMM COC(=O)[C@@H](CO)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821640391 606201504 /nfs/dbraw/zinc/20/15/04/606201504.db2.gz HOETWWUHKYVFHC-SECBINFHSA-N -1 1 360.330 -0.177 20 0 FBADMM COC(=O)[C@H](CO)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821640392 606201766 /nfs/dbraw/zinc/20/17/66/606201766.db2.gz HOETWWUHKYVFHC-VIFPVBQESA-N -1 1 360.330 -0.177 20 0 FBADMM COC(=O)[C@H](CO)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821640392 606201764 /nfs/dbraw/zinc/20/17/64/606201764.db2.gz HOETWWUHKYVFHC-VIFPVBQESA-N -1 1 360.330 -0.177 20 0 FBADMM COC(=O)[C@@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)CC(C)C ZINC000821640632 599587021 /nfs/dbraw/zinc/58/70/21/599587021.db2.gz LVNYKUALISYFFI-SECBINFHSA-N -1 1 365.394 -0.489 20 0 FBADMM COC(=O)[C@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)CC(C)C ZINC000821640633 599588053 /nfs/dbraw/zinc/58/80/53/599588053.db2.gz LVNYKUALISYFFI-VIFPVBQESA-N -1 1 365.394 -0.489 20 0 FBADMM COC(=O)[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1F ZINC000821640990 607222807 /nfs/dbraw/zinc/22/28/07/607222807.db2.gz TXGBPBNAVNVFRJ-LLVKDONJSA-N -1 1 360.309 -0.372 20 0 FBADMM COC(=O)[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1F ZINC000821640991 607223196 /nfs/dbraw/zinc/22/31/96/607223196.db2.gz TXGBPBNAVNVFRJ-NSHDSACASA-N -1 1 360.309 -0.372 20 0 FBADMM COC(=O)[C@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000821641036 607219817 /nfs/dbraw/zinc/21/98/17/607219817.db2.gz VBTYFWGFUVWXDS-LLVKDONJSA-N -1 1 356.346 -0.469 20 0 FBADMM COC(=O)[C@@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000821641037 607219578 /nfs/dbraw/zinc/21/95/78/607219578.db2.gz VBTYFWGFUVWXDS-NSHDSACASA-N -1 1 356.346 -0.469 20 0 FBADMM COC(=O)[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(OC)cc1 ZINC000821641044 607214180 /nfs/dbraw/zinc/21/41/80/607214180.db2.gz VGIAWTPIQUHAOC-GFCCVEGCSA-N -1 1 372.345 -0.503 20 0 FBADMM COC(=O)[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(OC)cc1 ZINC000821641045 607214143 /nfs/dbraw/zinc/21/41/43/607214143.db2.gz VGIAWTPIQUHAOC-LBPRGKRZSA-N -1 1 372.345 -0.503 20 0 FBADMM COC(=O)[C@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(C)cc1 ZINC000821641162 607215255 /nfs/dbraw/zinc/21/52/55/607215255.db2.gz XFSQWMPWKVXPQC-GFCCVEGCSA-N -1 1 370.373 -0.160 20 0 FBADMM COC(=O)[C@@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(C)cc1 ZINC000821641163 607215222 /nfs/dbraw/zinc/21/52/22/607215222.db2.gz XFSQWMPWKVXPQC-LBPRGKRZSA-N -1 1 370.373 -0.160 20 0 FBADMM COC(=O)[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(C)(C)C ZINC000821645074 606835292 /nfs/dbraw/zinc/83/52/92/606835292.db2.gz QFWDFBLYIOWMEG-MRVPVSSYSA-N -1 1 351.367 -0.736 20 0 FBADMM COC(=O)[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(C)(C)C ZINC000821645075 661084943 /nfs/dbraw/zinc/08/49/43/661084943.db2.gz QFWDFBLYIOWMEG-QMMMGPOBSA-N -1 1 351.367 -0.736 20 0 FBADMM COC(=O)[C@@H](c1ccccc1)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821651707 607218290 /nfs/dbraw/zinc/21/82/90/607218290.db2.gz DZBYOLMDBNZBNC-GFCCVEGCSA-N -1 1 356.346 -0.169 20 0 FBADMM COC(=O)[C@H](c1ccccc1)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821651708 607218052 /nfs/dbraw/zinc/21/80/52/607218052.db2.gz DZBYOLMDBNZBNC-LBPRGKRZSA-N -1 1 356.346 -0.169 20 0 FBADMM COC(=O)[C@]1(C)CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000821651951 607128911 /nfs/dbraw/zinc/12/89/11/607128911.db2.gz JOZGGBAQXAKGNT-CYBMUJFWSA-N -1 1 352.376 -0.165 20 0 FBADMM COC(=O)[C@]1(C)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000821651951 607128909 /nfs/dbraw/zinc/12/89/09/607128909.db2.gz JOZGGBAQXAKGNT-CYBMUJFWSA-N -1 1 352.376 -0.165 20 0 FBADMM COC(=O)[C@@]1(C)CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000821651952 607129196 /nfs/dbraw/zinc/12/91/96/607129196.db2.gz JOZGGBAQXAKGNT-ZDUSSCGKSA-N -1 1 352.376 -0.165 20 0 FBADMM COC(=O)[C@@]1(C)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000821651952 607129195 /nfs/dbraw/zinc/12/91/95/607129195.db2.gz JOZGGBAQXAKGNT-ZDUSSCGKSA-N -1 1 352.376 -0.165 20 0 FBADMM COC(=O)[C@@]1(F)CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000821653667 606433893 /nfs/dbraw/zinc/43/38/93/606433893.db2.gz HILRNEWGFXNKHS-GFCCVEGCSA-N -1 1 356.339 -0.463 20 0 FBADMM COC(=O)[C@@]1(F)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000821653667 606433892 /nfs/dbraw/zinc/43/38/92/606433892.db2.gz HILRNEWGFXNKHS-GFCCVEGCSA-N -1 1 356.339 -0.463 20 0 FBADMM COC(=O)[C@]1(F)CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000821653668 606434314 /nfs/dbraw/zinc/43/43/14/606434314.db2.gz HILRNEWGFXNKHS-LBPRGKRZSA-N -1 1 356.339 -0.463 20 0 FBADMM COC(=O)[C@]1(F)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000821653668 606434313 /nfs/dbraw/zinc/43/43/13/606434313.db2.gz HILRNEWGFXNKHS-LBPRGKRZSA-N -1 1 356.339 -0.463 20 0 FBADMM COC(=O)C1(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCCC1 ZINC000821653760 606420864 /nfs/dbraw/zinc/42/08/64/606420864.db2.gz KDWCVCVDXHUFKV-UHFFFAOYSA-N -1 1 363.378 -0.591 20 0 FBADMM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821653809 606823564 /nfs/dbraw/zinc/82/35/64/606823564.db2.gz LTRCKMRBFYJJFU-GARJFASQSA-N -1 1 372.389 -0.497 20 0 FBADMM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821653809 606823563 /nfs/dbraw/zinc/82/35/63/606823563.db2.gz LTRCKMRBFYJJFU-GARJFASQSA-N -1 1 372.389 -0.497 20 0 FBADMM COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821653810 606824558 /nfs/dbraw/zinc/82/45/58/606824558.db2.gz LTRCKMRBFYJJFU-GMTAPVOTSA-N -1 1 372.389 -0.497 20 0 FBADMM COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821653810 606824556 /nfs/dbraw/zinc/82/45/56/606824556.db2.gz LTRCKMRBFYJJFU-GMTAPVOTSA-N -1 1 372.389 -0.497 20 0 FBADMM COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821653811 606824386 /nfs/dbraw/zinc/82/43/86/606824386.db2.gz LTRCKMRBFYJJFU-HBNTYKKESA-N -1 1 372.389 -0.497 20 0 FBADMM COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821653811 606824384 /nfs/dbraw/zinc/82/43/84/606824384.db2.gz LTRCKMRBFYJJFU-HBNTYKKESA-N -1 1 372.389 -0.497 20 0 FBADMM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821653812 606824540 /nfs/dbraw/zinc/82/45/40/606824540.db2.gz LTRCKMRBFYJJFU-OUAUKWLOSA-N -1 1 372.389 -0.497 20 0 FBADMM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821653812 606824538 /nfs/dbraw/zinc/82/45/38/606824538.db2.gz LTRCKMRBFYJJFU-OUAUKWLOSA-N -1 1 372.389 -0.497 20 0 FBADMM COC(=O)[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)c2ccccc21 ZINC000821655284 607217085 /nfs/dbraw/zinc/21/70/85/607217085.db2.gz IQHOPMVTZOYLFP-JTQLQIEISA-N -1 1 354.330 -0.238 20 0 FBADMM COC(=O)[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)c2ccccc21 ZINC000821655285 607216723 /nfs/dbraw/zinc/21/67/23/607216723.db2.gz IQHOPMVTZOYLFP-SNVBAGLBSA-N -1 1 354.330 -0.238 20 0 FBADMM COC(=O)C1CCN(C(=O)Cn2ccc(C)c(-c3nn[n-]n3)c2=O)CC1 ZINC000821656012 607348876 /nfs/dbraw/zinc/34/88/76/607348876.db2.gz VVIYYBYRXYXYPZ-UHFFFAOYSA-N -1 1 360.374 -0.252 20 0 FBADMM COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821656031 607208910 /nfs/dbraw/zinc/20/89/10/607208910.db2.gz WIEOZUATBDSEMI-AXFHLTTASA-N -1 1 360.378 -0.209 20 0 FBADMM COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821656032 607208862 /nfs/dbraw/zinc/20/88/62/607208862.db2.gz WIEOZUATBDSEMI-DCAQKATOSA-N -1 1 360.378 -0.209 20 0 FBADMM COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821656033 607208970 /nfs/dbraw/zinc/20/89/70/607208970.db2.gz WIEOZUATBDSEMI-MXWKQRLJSA-N -1 1 360.378 -0.209 20 0 FBADMM COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821656034 607208856 /nfs/dbraw/zinc/20/88/56/607208856.db2.gz WIEOZUATBDSEMI-VWYCJHECSA-N -1 1 360.378 -0.209 20 0 FBADMM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000821656843 606844040 /nfs/dbraw/zinc/84/40/40/606844040.db2.gz AODOJFOXPKNXCZ-JTQLQIEISA-N -1 1 371.350 -0.432 20 0 FBADMM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000821656844 606844150 /nfs/dbraw/zinc/84/41/50/606844150.db2.gz AODOJFOXPKNXCZ-SNVBAGLBSA-N -1 1 371.350 -0.432 20 0 FBADMM COC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821657344 606845054 /nfs/dbraw/zinc/84/50/54/606845054.db2.gz MJTVIZQZLDJISQ-JTQLQIEISA-N -1 1 371.350 -0.432 20 0 FBADMM COC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821657345 606845293 /nfs/dbraw/zinc/84/52/93/606845293.db2.gz MJTVIZQZLDJISQ-SNVBAGLBSA-N -1 1 371.350 -0.432 20 0 FBADMM COC(=O)C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000821657394 607205733 /nfs/dbraw/zinc/20/57/33/607205733.db2.gz NDLURWYVNDQGPE-LLVKDONJSA-N -1 1 356.346 -0.121 20 0 FBADMM COC(=O)C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000821657395 607205752 /nfs/dbraw/zinc/20/57/52/607205752.db2.gz NDLURWYVNDQGPE-NSHDSACASA-N -1 1 356.346 -0.121 20 0 FBADMM COC(=O)C[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821657400 606954591 /nfs/dbraw/zinc/95/45/91/606954591.db2.gz NEQSQRWHUAXDON-GHMZBOCLSA-N -1 1 374.405 -0.107 20 0 FBADMM COC(=O)C[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821657400 606954589 /nfs/dbraw/zinc/95/45/89/606954589.db2.gz NEQSQRWHUAXDON-GHMZBOCLSA-N -1 1 374.405 -0.107 20 0 FBADMM COC(=O)C[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821657401 606954944 /nfs/dbraw/zinc/95/49/44/606954944.db2.gz NEQSQRWHUAXDON-MNOVXSKESA-N -1 1 374.405 -0.107 20 0 FBADMM COC(=O)C[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821657401 606954942 /nfs/dbraw/zinc/95/49/42/606954942.db2.gz NEQSQRWHUAXDON-MNOVXSKESA-N -1 1 374.405 -0.107 20 0 FBADMM COC(=O)C[C@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821657402 606954991 /nfs/dbraw/zinc/95/49/91/606954991.db2.gz NEQSQRWHUAXDON-QWRGUYRKSA-N -1 1 374.405 -0.107 20 0 FBADMM COC(=O)C[C@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821657402 606954990 /nfs/dbraw/zinc/95/49/90/606954990.db2.gz NEQSQRWHUAXDON-QWRGUYRKSA-N -1 1 374.405 -0.107 20 0 FBADMM COC(=O)C[C@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821657403 606954764 /nfs/dbraw/zinc/95/47/64/606954764.db2.gz NEQSQRWHUAXDON-WDEREUQCSA-N -1 1 374.405 -0.107 20 0 FBADMM COC(=O)C[C@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821657403 606954763 /nfs/dbraw/zinc/95/47/63/606954763.db2.gz NEQSQRWHUAXDON-WDEREUQCSA-N -1 1 374.405 -0.107 20 0 FBADMM COC(=O)[C@H]1c2ccccc2CCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821657575 607220974 /nfs/dbraw/zinc/22/09/74/607220974.db2.gz QJGFYMSUZCMMIX-CYBMUJFWSA-N -1 1 368.357 -0.243 20 0 FBADMM COC(=O)[C@@H]1c2ccccc2CCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821657576 607221034 /nfs/dbraw/zinc/22/10/34/607221034.db2.gz QJGFYMSUZCMMIX-ZDUSSCGKSA-N -1 1 368.357 -0.243 20 0 FBADMM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H]1C ZINC000821657697 606745382 /nfs/dbraw/zinc/74/53/82/606745382.db2.gz UCBLIICTGKVCNE-PSASIEDQSA-N -1 1 352.376 -0.309 20 0 FBADMM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H]1C ZINC000821657697 606745380 /nfs/dbraw/zinc/74/53/80/606745380.db2.gz UCBLIICTGKVCNE-PSASIEDQSA-N -1 1 352.376 -0.309 20 0 FBADMM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H]1C ZINC000821657698 606745056 /nfs/dbraw/zinc/74/50/56/606745056.db2.gz UCBLIICTGKVCNE-SCZZXKLOSA-N -1 1 352.376 -0.309 20 0 FBADMM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H]1C ZINC000821657698 606745055 /nfs/dbraw/zinc/74/50/55/606745055.db2.gz UCBLIICTGKVCNE-SCZZXKLOSA-N -1 1 352.376 -0.309 20 0 FBADMM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1C ZINC000821657699 606745185 /nfs/dbraw/zinc/74/51/85/606745185.db2.gz UCBLIICTGKVCNE-WCBMZHEXSA-N -1 1 352.376 -0.309 20 0 FBADMM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1C ZINC000821657699 606745183 /nfs/dbraw/zinc/74/51/83/606745183.db2.gz UCBLIICTGKVCNE-WCBMZHEXSA-N -1 1 352.376 -0.309 20 0 FBADMM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1C ZINC000821657700 606745071 /nfs/dbraw/zinc/74/50/71/606745071.db2.gz UCBLIICTGKVCNE-WPRPVWTQSA-N -1 1 352.376 -0.309 20 0 FBADMM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1C ZINC000821657700 606745070 /nfs/dbraw/zinc/74/50/70/606745070.db2.gz UCBLIICTGKVCNE-WPRPVWTQSA-N -1 1 352.376 -0.309 20 0 FBADMM COC(=O)[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000821657719 599342717 /nfs/dbraw/zinc/34/27/17/599342717.db2.gz UPNFHYWHAPCDKY-SECBINFHSA-N -1 1 371.350 -0.432 20 0 FBADMM COC(=O)[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000821657719 599342715 /nfs/dbraw/zinc/34/27/15/599342715.db2.gz UPNFHYWHAPCDKY-SECBINFHSA-N -1 1 371.350 -0.432 20 0 FBADMM COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000821657720 599343125 /nfs/dbraw/zinc/34/31/25/599343125.db2.gz UPNFHYWHAPCDKY-VIFPVBQESA-N -1 1 371.350 -0.432 20 0 FBADMM COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000821657720 599343122 /nfs/dbraw/zinc/34/31/22/599343122.db2.gz UPNFHYWHAPCDKY-VIFPVBQESA-N -1 1 371.350 -0.432 20 0 FBADMM COC(=O)C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccs1 ZINC000821657903 607206478 /nfs/dbraw/zinc/20/64/78/607206478.db2.gz YRQZQAVZVNEYDE-MRVPVSSYSA-N -1 1 362.375 -0.060 20 0 FBADMM COC(=O)C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccs1 ZINC000821657904 607206318 /nfs/dbraw/zinc/20/63/18/607206318.db2.gz YRQZQAVZVNEYDE-QMMMGPOBSA-N -1 1 362.375 -0.060 20 0 FBADMM COC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821657907 606433865 /nfs/dbraw/zinc/43/38/65/606433865.db2.gz YSIJBDGOIAVNNG-LLVKDONJSA-N -1 1 371.350 -0.432 20 0 FBADMM COC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821657908 606433961 /nfs/dbraw/zinc/43/39/61/606433961.db2.gz YSIJBDGOIAVNNG-NSHDSACASA-N -1 1 371.350 -0.432 20 0 FBADMM COC(=O)[C@H]1COCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821657937 606434214 /nfs/dbraw/zinc/43/42/14/606434214.db2.gz ZEXDNHSAWWLNKU-SECBINFHSA-N -1 1 371.350 -0.432 20 0 FBADMM COC(=O)[C@H]1COCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821657937 606434212 /nfs/dbraw/zinc/43/42/12/606434212.db2.gz ZEXDNHSAWWLNKU-SECBINFHSA-N -1 1 371.350 -0.432 20 0 FBADMM COC(=O)[C@@H]1COCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821657938 606434113 /nfs/dbraw/zinc/43/41/13/606434113.db2.gz ZEXDNHSAWWLNKU-VIFPVBQESA-N -1 1 371.350 -0.432 20 0 FBADMM COC(=O)[C@@H]1COCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821657938 606434110 /nfs/dbraw/zinc/43/41/10/606434110.db2.gz ZEXDNHSAWWLNKU-VIFPVBQESA-N -1 1 371.350 -0.432 20 0 FBADMM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821658558 606524518 /nfs/dbraw/zinc/52/45/18/606524518.db2.gz ARISMJFAUNJKTG-SSDOTTSWSA-N -1 1 350.360 -0.568 20 0 FBADMM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821658558 606524516 /nfs/dbraw/zinc/52/45/16/606524516.db2.gz ARISMJFAUNJKTG-SSDOTTSWSA-N -1 1 350.360 -0.568 20 0 FBADMM COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821658559 606524480 /nfs/dbraw/zinc/52/44/80/606524480.db2.gz ARISMJFAUNJKTG-ZETCQYMHSA-N -1 1 350.360 -0.568 20 0 FBADMM COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821658559 606524478 /nfs/dbraw/zinc/52/44/78/606524478.db2.gz ARISMJFAUNJKTG-ZETCQYMHSA-N -1 1 350.360 -0.568 20 0 FBADMM COC(=O)C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCO1 ZINC000821658942 606579449 /nfs/dbraw/zinc/57/94/49/606579449.db2.gz NCXLICKHONDFQN-MRVPVSSYSA-N -1 1 350.339 -0.604 20 0 FBADMM COC(=O)C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCO1 ZINC000821658942 606579448 /nfs/dbraw/zinc/57/94/48/606579448.db2.gz NCXLICKHONDFQN-MRVPVSSYSA-N -1 1 350.339 -0.604 20 0 FBADMM COC(=O)C[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCO1 ZINC000821658943 606579569 /nfs/dbraw/zinc/57/95/69/606579569.db2.gz NCXLICKHONDFQN-QMMMGPOBSA-N -1 1 350.339 -0.604 20 0 FBADMM COC(=O)C[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCO1 ZINC000821658943 606579568 /nfs/dbraw/zinc/57/95/68/606579568.db2.gz NCXLICKHONDFQN-QMMMGPOBSA-N -1 1 350.339 -0.604 20 0 FBADMM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC000821659003 606657300 /nfs/dbraw/zinc/65/73/00/606657300.db2.gz OMTMVVGFWKWVDL-LLVKDONJSA-N -1 1 352.376 -0.118 20 0 FBADMM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC000821659003 606657299 /nfs/dbraw/zinc/65/72/99/606657299.db2.gz OMTMVVGFWKWVDL-LLVKDONJSA-N -1 1 352.376 -0.118 20 0 FBADMM COC(=O)C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC000821659004 606657427 /nfs/dbraw/zinc/65/74/27/606657427.db2.gz OMTMVVGFWKWVDL-NSHDSACASA-N -1 1 352.376 -0.118 20 0 FBADMM COC(=O)C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC000821659004 606657426 /nfs/dbraw/zinc/65/74/26/606657426.db2.gz OMTMVVGFWKWVDL-NSHDSACASA-N -1 1 352.376 -0.118 20 0 FBADMM COC(=O)C[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821659189 607390619 /nfs/dbraw/zinc/39/06/19/607390619.db2.gz VFPBEWNKFSKRFZ-SECBINFHSA-N -1 1 352.376 -0.022 20 0 FBADMM COC(=O)C[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821659189 607390617 /nfs/dbraw/zinc/39/06/17/607390617.db2.gz VFPBEWNKFSKRFZ-SECBINFHSA-N -1 1 352.376 -0.022 20 0 FBADMM COC(=O)C[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821659190 607390843 /nfs/dbraw/zinc/39/08/43/607390843.db2.gz VFPBEWNKFSKRFZ-VIFPVBQESA-N -1 1 352.376 -0.022 20 0 FBADMM COC(=O)C[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821659190 607390842 /nfs/dbraw/zinc/39/08/42/607390842.db2.gz VFPBEWNKFSKRFZ-VIFPVBQESA-N -1 1 352.376 -0.022 20 0 FBADMM COC(=O)C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000821660147 606435301 /nfs/dbraw/zinc/43/53/01/606435301.db2.gz HOKNXPPYNXRONO-SECBINFHSA-N -1 1 368.375 -0.786 20 0 FBADMM COC(=O)C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000821660147 606435299 /nfs/dbraw/zinc/43/52/99/606435299.db2.gz HOKNXPPYNXRONO-SECBINFHSA-N -1 1 368.375 -0.786 20 0 FBADMM COC(=O)C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000821660148 606435073 /nfs/dbraw/zinc/43/50/73/606435073.db2.gz HOKNXPPYNXRONO-VIFPVBQESA-N -1 1 368.375 -0.786 20 0 FBADMM COC(=O)C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000821660148 606435070 /nfs/dbraw/zinc/43/50/70/606435070.db2.gz HOKNXPPYNXRONO-VIFPVBQESA-N -1 1 368.375 -0.786 20 0 FBADMM COC(=O)CCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821660342 606830348 /nfs/dbraw/zinc/83/03/48/606830348.db2.gz NOAVBOZTHRGDTI-JTQLQIEISA-N -1 1 360.378 -0.353 20 0 FBADMM COC(=O)CCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821660342 606830346 /nfs/dbraw/zinc/83/03/46/606830346.db2.gz NOAVBOZTHRGDTI-JTQLQIEISA-N -1 1 360.378 -0.353 20 0 FBADMM COC(=O)CCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821660343 606830186 /nfs/dbraw/zinc/83/01/86/606830186.db2.gz NOAVBOZTHRGDTI-SNVBAGLBSA-N -1 1 360.378 -0.353 20 0 FBADMM COC(=O)CCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821660343 606830183 /nfs/dbraw/zinc/83/01/83/606830183.db2.gz NOAVBOZTHRGDTI-SNVBAGLBSA-N -1 1 360.378 -0.353 20 0 FBADMM COC(=O)CCc1csc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC000821661391 607224892 /nfs/dbraw/zinc/22/48/92/607224892.db2.gz HAJWQMWHPWPNRW-UHFFFAOYSA-N -1 1 363.363 -0.341 20 0 FBADMM COC(=O)CCN(C[C@@H]1CCCO1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821661393 607217645 /nfs/dbraw/zinc/21/76/45/607217645.db2.gz HCBCEXYWRWUAFG-JTQLQIEISA-N -1 1 364.366 -0.971 20 0 FBADMM COC(=O)CCN(C[C@H]1CCCO1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821661394 607217491 /nfs/dbraw/zinc/21/74/91/607217491.db2.gz HCBCEXYWRWUAFG-SNVBAGLBSA-N -1 1 364.366 -0.971 20 0 FBADMM COC(=O)CCN(CC(C)C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821661691 606757232 /nfs/dbraw/zinc/75/72/32/606757232.db2.gz UUODMONXGCXSHF-UHFFFAOYSA-N -1 1 365.394 -0.710 20 0 FBADMM COC(=O)CCN(Cc1ccncc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821661741 607222400 /nfs/dbraw/zinc/22/24/00/607222400.db2.gz WNWKPNYYWGFUMJ-UHFFFAOYSA-N -1 1 371.361 -0.555 20 0 FBADMM COC(=O)COc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(C)c1 ZINC000821662434 607209618 /nfs/dbraw/zinc/20/96/18/607209618.db2.gz BTDBBVQJZYTRIC-UHFFFAOYSA-N -1 1 372.345 -0.043 20 0 FBADMM COC(=O)COc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821662467 607208068 /nfs/dbraw/zinc/20/80/68/607208068.db2.gz DLHBADFEXRMGEC-UHFFFAOYSA-N -1 1 358.318 -0.351 20 0 FBADMM COC(=O)CN(Cc1ccccc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821662513 607208940 /nfs/dbraw/zinc/20/89/40/607208940.db2.gz GFNIBISTPWITJR-UHFFFAOYSA-N -1 1 356.346 -0.340 20 0 FBADMM COC(=O)COc1cccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821662596 607217607 /nfs/dbraw/zinc/21/76/07/607217607.db2.gz JURLNAOOXQGZQJ-UHFFFAOYSA-N -1 1 372.345 -0.674 20 0 FBADMM COC(=O)COc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821662718 607207404 /nfs/dbraw/zinc/20/74/04/607207404.db2.gz PITVPHHEWNNONB-UHFFFAOYSA-N -1 1 358.318 -0.351 20 0 FBADMM COC(=O)Cn1cc(CCOC(=O)c2ccc(-c3nn[n-]n3)nc2)nn1 ZINC000821663685 607446537 /nfs/dbraw/zinc/44/65/37/607446537.db2.gz JTGSJWKUNRJECL-UHFFFAOYSA-N -1 1 358.318 -0.574 20 0 FBADMM COC(=O)Cn1cc(CCOC(=O)c2ccc(-c3nnn[n-]3)nc2)nn1 ZINC000821663685 607446536 /nfs/dbraw/zinc/44/65/36/607446536.db2.gz JTGSJWKUNRJECL-UHFFFAOYSA-N -1 1 358.318 -0.574 20 0 FBADMM COC(=O)Cc1cccc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000821663794 606878411 /nfs/dbraw/zinc/87/84/11/606878411.db2.gz OFINFGPLBGPRHW-UHFFFAOYSA-N -1 1 371.357 -0.277 20 0 FBADMM COC(=O)Cn1cc([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)nn1 ZINC000821663975 607321279 /nfs/dbraw/zinc/32/12/79/607321279.db2.gz WYXUOVJSZRPODL-MRVPVSSYSA-N -1 1 358.318 -0.056 20 0 FBADMM COC(=O)Cn1cc([C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)nn1 ZINC000821663975 607321278 /nfs/dbraw/zinc/32/12/78/607321278.db2.gz WYXUOVJSZRPODL-MRVPVSSYSA-N -1 1 358.318 -0.056 20 0 FBADMM COC(=O)Cn1cc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)nn1 ZINC000821663976 607321014 /nfs/dbraw/zinc/32/10/14/607321014.db2.gz WYXUOVJSZRPODL-QMMMGPOBSA-N -1 1 358.318 -0.056 20 0 FBADMM COC(=O)Cn1cc([C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)nn1 ZINC000821663976 607321013 /nfs/dbraw/zinc/32/10/13/607321013.db2.gz WYXUOVJSZRPODL-QMMMGPOBSA-N -1 1 358.318 -0.056 20 0 FBADMM COC(=O)NCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821664819 606824291 /nfs/dbraw/zinc/82/42/91/606824291.db2.gz KIULETXUQTUJTR-SECBINFHSA-N -1 1 361.366 -0.950 20 0 FBADMM COC(=O)NCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821664819 606824289 /nfs/dbraw/zinc/82/42/89/606824289.db2.gz KIULETXUQTUJTR-SECBINFHSA-N -1 1 361.366 -0.950 20 0 FBADMM COC(=O)NCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821664820 606824324 /nfs/dbraw/zinc/82/43/24/606824324.db2.gz KIULETXUQTUJTR-VIFPVBQESA-N -1 1 361.366 -0.950 20 0 FBADMM COC(=O)NCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821664820 606824323 /nfs/dbraw/zinc/82/43/23/606824323.db2.gz KIULETXUQTUJTR-VIFPVBQESA-N -1 1 361.366 -0.950 20 0 FBADMM COC(=O)NCc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821664829 607217426 /nfs/dbraw/zinc/21/74/26/607217426.db2.gz KQRFEGNZCGUNDD-UHFFFAOYSA-N -1 1 357.334 -0.047 20 0 FBADMM COC(=O)Nc1ccc(CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821664839 607218307 /nfs/dbraw/zinc/21/83/07/607218307.db2.gz KVSMREUACXKKJY-UHFFFAOYSA-N -1 1 371.361 -0.005 20 0 FBADMM COC(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000821665043 607324962 /nfs/dbraw/zinc/32/49/62/607324962.db2.gz SSEQZCJAWPNPBV-UHFFFAOYSA-N -1 1 365.375 -0.130 20 0 FBADMM COC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821665931 607205202 /nfs/dbraw/zinc/20/52/02/607205202.db2.gz LJDZVTQXZJJDRS-NSHDSACASA-N -1 1 356.346 -0.641 20 0 FBADMM COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000821666022 607450556 /nfs/dbraw/zinc/45/05/56/607450556.db2.gz SDDUUIWKHYQFIX-ZJUUUORDSA-N -1 1 364.362 -0.377 20 0 FBADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2nsc(N(C)C)n2)c1 ZINC000821666818 607224945 /nfs/dbraw/zinc/22/49/45/607224945.db2.gz HOYUAXMKFMJIGN-UHFFFAOYSA-N -1 1 362.375 -0.219 20 0 FBADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2cc(=O)c(OC)co2)c1 ZINC000821666958 607157252 /nfs/dbraw/zinc/15/72/52/607157252.db2.gz NPYLOTJBOHHCSD-UHFFFAOYSA-N -1 1 359.298 -0.175 20 0 FBADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCCNC(=O)C(F)(F)F)c1 ZINC000821667096 607225004 /nfs/dbraw/zinc/22/50/04/607225004.db2.gz UNPXKQYWDQPLET-UHFFFAOYSA-N -1 1 374.279 -0.116 20 0 FBADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(C[C@@H](C)CS(C)(=O)=O)c1 ZINC000821667140 606873167 /nfs/dbraw/zinc/87/31/67/606873167.db2.gz WSSXEXLSWOPICS-MRVPVSSYSA-N -1 1 355.376 -0.504 20 0 FBADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(C[C@H](C)CS(C)(=O)=O)c1 ZINC000821667141 606873331 /nfs/dbraw/zinc/87/33/31/606873331.db2.gz WSSXEXLSWOPICS-QMMMGPOBSA-N -1 1 355.376 -0.504 20 0 FBADMM COC(=O)c1cc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cn1C ZINC000821667822 606720967 /nfs/dbraw/zinc/72/09/67/606720967.db2.gz BUGOFHOEDYJKQD-UHFFFAOYSA-N -1 1 360.334 -0.867 20 0 FBADMM COC(=O)c1cc(OC)ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821668176 607213564 /nfs/dbraw/zinc/21/35/64/607213564.db2.gz TXCBSOSIZNJWDG-UHFFFAOYSA-N -1 1 358.318 -0.108 20 0 FBADMM COC(=O)c1ccc(OCCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821669587 607216043 /nfs/dbraw/zinc/21/60/43/607216043.db2.gz SVZLRRZSGNSKMP-UHFFFAOYSA-N -1 1 372.345 -0.560 20 0 FBADMM COC(=O)c1ccc2c(c1)CN(C(=O)Cn1cnc(-c3nn[n-]n3)n1)C2 ZINC000821669856 607215237 /nfs/dbraw/zinc/21/52/37/607215237.db2.gz ASRXJOBMQWMPGO-UHFFFAOYSA-N -1 1 354.330 -0.213 20 0 FBADMM COC(=O)c1cccc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000821670118 606877255 /nfs/dbraw/zinc/87/72/55/606877255.db2.gz OCGYZKITTDXXGG-UHFFFAOYSA-N -1 1 371.357 -0.337 20 0 FBADMM COC(=O)c1ccc2c(c1)CCN2C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821670172 607236909 /nfs/dbraw/zinc/23/69/09/607236909.db2.gz QCUSURBXJDQYPV-UHFFFAOYSA-N -1 1 354.330 -0.166 20 0 FBADMM COC(=O)c1n[nH]c2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc21 ZINC000821671404 607206260 /nfs/dbraw/zinc/20/62/60/607206260.db2.gz UWQGTRJMWADXAA-UHFFFAOYSA-N -1 1 368.317 -0.240 20 0 FBADMM COC(=O)c1cnc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cn1 ZINC000821671464 606831594 /nfs/dbraw/zinc/83/15/94/606831594.db2.gz XDOVOHKBRLBZOB-UHFFFAOYSA-N -1 1 358.366 -0.182 20 0 FBADMM CO[C@@]1(C)C[C@@H](N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1(C)C ZINC000821677894 606061697 /nfs/dbraw/zinc/06/16/97/606061697.db2.gz GFQKOTVSBWORJH-ABKXIKBNSA-N -1 1 363.422 -0.096 20 0 FBADMM CO[C@@]1(C)C[C@H](N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1(C)C ZINC000821677895 606061852 /nfs/dbraw/zinc/06/18/52/606061852.db2.gz GFQKOTVSBWORJH-FVMDXXJSSA-N -1 1 363.422 -0.096 20 0 FBADMM CO[C@]1(C)C[C@@H](N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1(C)C ZINC000821677896 606061521 /nfs/dbraw/zinc/06/15/21/606061521.db2.gz GFQKOTVSBWORJH-JDNHERCYSA-N -1 1 363.422 -0.096 20 0 FBADMM CO[C@]1(C)C[C@H](N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1(C)C ZINC000821677897 606062336 /nfs/dbraw/zinc/06/23/36/606062336.db2.gz GFQKOTVSBWORJH-XXFAHNHDSA-N -1 1 363.422 -0.096 20 0 FBADMM COC[C@](C)([N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1)C(=O)OC ZINC000821680133 606846735 /nfs/dbraw/zinc/84/67/35/606846735.db2.gz AABHOJVRCXXXQQ-AWEZNQCLSA-N -1 1 369.403 -0.136 20 0 FBADMM COC[C@@](C)([N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1)C(=O)OC ZINC000821680134 606846753 /nfs/dbraw/zinc/84/67/53/606846753.db2.gz AABHOJVRCXXXQQ-CQSZACIVSA-N -1 1 369.403 -0.136 20 0 FBADMM COCC(=O)Nc1ccc(OC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821680435 607158184 /nfs/dbraw/zinc/15/81/84/607158184.db2.gz JBTUNQUBGWDQGK-UHFFFAOYSA-N -1 1 358.318 -0.351 20 0 FBADMM COC[C@@](C)(CC(=O)OC)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821680626 606484389 /nfs/dbraw/zinc/48/43/89/606484389.db2.gz PAKFEYGITHKGNT-CYBMUJFWSA-N -1 1 370.391 -0.492 20 0 FBADMM COC[C@@](C)(CC(=O)OC)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821680626 606484388 /nfs/dbraw/zinc/48/43/88/606484388.db2.gz PAKFEYGITHKGNT-CYBMUJFWSA-N -1 1 370.391 -0.492 20 0 FBADMM COC[C@](C)(CC(=O)OC)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821680627 606484246 /nfs/dbraw/zinc/48/42/46/606484246.db2.gz PAKFEYGITHKGNT-ZDUSSCGKSA-N -1 1 370.391 -0.492 20 0 FBADMM COC[C@](C)(CC(=O)OC)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821680627 606484245 /nfs/dbraw/zinc/48/42/45/606484245.db2.gz PAKFEYGITHKGNT-ZDUSSCGKSA-N -1 1 370.391 -0.492 20 0 FBADMM COC[C@@](C)(NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC ZINC000821680637 606846750 /nfs/dbraw/zinc/84/67/50/606846750.db2.gz PEDWPSZVPDDSIP-GFCCVEGCSA-N -1 1 356.364 -0.882 20 0 FBADMM COC[C@@](C)(NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC ZINC000821680637 606846749 /nfs/dbraw/zinc/84/67/49/606846749.db2.gz PEDWPSZVPDDSIP-GFCCVEGCSA-N -1 1 356.364 -0.882 20 0 FBADMM COC[C@](C)(NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC ZINC000821680638 606846788 /nfs/dbraw/zinc/84/67/88/606846788.db2.gz PEDWPSZVPDDSIP-LBPRGKRZSA-N -1 1 356.364 -0.882 20 0 FBADMM COC[C@](C)(NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC ZINC000821680638 606846787 /nfs/dbraw/zinc/84/67/87/606846787.db2.gz PEDWPSZVPDDSIP-LBPRGKRZSA-N -1 1 356.364 -0.882 20 0 FBADMM COCC(=O)NC1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000821680823 606165795 /nfs/dbraw/zinc/16/57/95/606165795.db2.gz VROJVZIIEWIITD-UHFFFAOYSA-N -1 1 363.382 -0.641 20 0 FBADMM COCC(=O)NC1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000821680823 606165793 /nfs/dbraw/zinc/16/57/93/606165793.db2.gz VROJVZIIEWIITD-UHFFFAOYSA-N -1 1 363.382 -0.641 20 0 FBADMM COC[C@](C)(O)C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000821681231 599665993 /nfs/dbraw/zinc/66/59/93/599665993.db2.gz FQMUTEGAFXIVFM-AWEZNQCLSA-N -1 1 353.335 -0.044 20 0 FBADMM COC[C@@](C)(O)C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000821681232 599665825 /nfs/dbraw/zinc/66/58/25/599665825.db2.gz FQMUTEGAFXIVFM-CQSZACIVSA-N -1 1 353.335 -0.044 20 0 FBADMM COC[C@@H](C)NC(=O)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821681277 606139668 /nfs/dbraw/zinc/13/96/68/606139668.db2.gz GIKWKCZNHRXUEP-SSDOTTSWSA-N -1 1 368.375 -0.054 20 0 FBADMM COC[C@@H](C)NC(=O)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821681277 606139667 /nfs/dbraw/zinc/13/96/67/606139667.db2.gz GIKWKCZNHRXUEP-SSDOTTSWSA-N -1 1 368.375 -0.054 20 0 FBADMM COC[C@H](C)NC(=O)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821681278 606139778 /nfs/dbraw/zinc/13/97/78/606139778.db2.gz GIKWKCZNHRXUEP-ZETCQYMHSA-N -1 1 368.375 -0.054 20 0 FBADMM COC[C@H](C)NC(=O)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821681278 606139776 /nfs/dbraw/zinc/13/97/76/606139776.db2.gz GIKWKCZNHRXUEP-ZETCQYMHSA-N -1 1 368.375 -0.054 20 0 FBADMM COC[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821681736 608760416 /nfs/dbraw/zinc/76/04/16/608760416.db2.gz QRTCZZFMLCVXTP-GHMZBOCLSA-N -1 1 361.410 -0.088 20 0 FBADMM COC[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821681736 608760413 /nfs/dbraw/zinc/76/04/13/608760413.db2.gz QRTCZZFMLCVXTP-GHMZBOCLSA-N -1 1 361.410 -0.088 20 0 FBADMM COC[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821681737 608760591 /nfs/dbraw/zinc/76/05/91/608760591.db2.gz QRTCZZFMLCVXTP-MNOVXSKESA-N -1 1 361.410 -0.088 20 0 FBADMM COC[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821681737 608760590 /nfs/dbraw/zinc/76/05/90/608760590.db2.gz QRTCZZFMLCVXTP-MNOVXSKESA-N -1 1 361.410 -0.088 20 0 FBADMM COC[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821681738 606763191 /nfs/dbraw/zinc/76/31/91/606763191.db2.gz QRTCZZFMLCVXTP-QWRGUYRKSA-N -1 1 361.410 -0.088 20 0 FBADMM COC[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821681738 606763189 /nfs/dbraw/zinc/76/31/89/606763189.db2.gz QRTCZZFMLCVXTP-QWRGUYRKSA-N -1 1 361.410 -0.088 20 0 FBADMM COC[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821681739 606763345 /nfs/dbraw/zinc/76/33/45/606763345.db2.gz QRTCZZFMLCVXTP-WDEREUQCSA-N -1 1 361.410 -0.088 20 0 FBADMM COC[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821681739 606763344 /nfs/dbraw/zinc/76/33/44/606763344.db2.gz QRTCZZFMLCVXTP-WDEREUQCSA-N -1 1 361.410 -0.088 20 0 FBADMM COC[C@@H](Cc1ccccc1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821682549 606141144 /nfs/dbraw/zinc/14/11/44/606141144.db2.gz IMXYYTXZJWXSJG-GFCCVEGCSA-N -1 1 371.401 -0.066 20 0 FBADMM COC[C@H](Cc1ccccc1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821682550 606141169 /nfs/dbraw/zinc/14/11/69/606141169.db2.gz IMXYYTXZJWXSJG-LBPRGKRZSA-N -1 1 371.401 -0.066 20 0 FBADMM COC[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(C)o1 ZINC000821684052 606174548 /nfs/dbraw/zinc/17/45/48/606174548.db2.gz QTBXPMHQXDEYQI-SECBINFHSA-N -1 1 361.362 -0.035 20 0 FBADMM COC[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(C)o1 ZINC000821684053 606174242 /nfs/dbraw/zinc/17/42/42/606174242.db2.gz QTBXPMHQXDEYQI-VIFPVBQESA-N -1 1 361.362 -0.035 20 0 FBADMM COCCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821687534 606763600 /nfs/dbraw/zinc/76/36/00/606763600.db2.gz DCDWXGQNNPMFAY-LLVKDONJSA-N -1 1 361.410 -0.087 20 0 FBADMM COCCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821687534 606763599 /nfs/dbraw/zinc/76/35/99/606763599.db2.gz DCDWXGQNNPMFAY-LLVKDONJSA-N -1 1 361.410 -0.087 20 0 FBADMM COCCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821687535 606763361 /nfs/dbraw/zinc/76/33/61/606763361.db2.gz DCDWXGQNNPMFAY-NSHDSACASA-N -1 1 361.410 -0.087 20 0 FBADMM COCCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821687535 606763359 /nfs/dbraw/zinc/76/33/59/606763359.db2.gz DCDWXGQNNPMFAY-NSHDSACASA-N -1 1 361.410 -0.087 20 0 FBADMM COCCCOC1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000821687574 606639586 /nfs/dbraw/zinc/63/95/86/606639586.db2.gz FUSQHFGDNGKBES-UHFFFAOYSA-N -1 1 354.392 -0.312 20 0 FBADMM COCCCOC1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000821687574 606639585 /nfs/dbraw/zinc/63/95/85/606639585.db2.gz FUSQHFGDNGKBES-UHFFFAOYSA-N -1 1 354.392 -0.312 20 0 FBADMM COCCCNC(=O)CN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000821687617 607304027 /nfs/dbraw/zinc/30/40/27/607304027.db2.gz HMWJOYIXFCDWRE-UHFFFAOYSA-N -1 1 360.422 -0.464 20 0 FBADMM COCCCN(Cc1ccncc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821687878 607215213 /nfs/dbraw/zinc/21/52/13/607215213.db2.gz TYKDHKUZEBMTMA-UHFFFAOYSA-N -1 1 357.378 -0.082 20 0 FBADMM COCCCS(=O)(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000821688194 607307178 /nfs/dbraw/zinc/30/71/78/607307178.db2.gz BKTJLFHHRBJGGK-UHFFFAOYSA-N -1 1 367.435 -0.250 20 0 FBADMM COCCCS(=O)(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000821688194 607307177 /nfs/dbraw/zinc/30/71/77/607307177.db2.gz BKTJLFHHRBJGGK-UHFFFAOYSA-N -1 1 367.435 -0.250 20 0 FBADMM COCCCn1ccc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)n1 ZINC000821688220 599579025 /nfs/dbraw/zinc/57/90/25/599579025.db2.gz CPADUNHHHRJDLD-UHFFFAOYSA-N -1 1 361.366 -0.759 20 0 FBADMM COCCCS(=O)(=O)NCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000821688256 607320279 /nfs/dbraw/zinc/32/02/79/607320279.db2.gz DRHBVXRCNMAHJN-UHFFFAOYSA-N -1 1 370.391 -0.533 20 0 FBADMM COCCCS(=O)(=O)NCCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821688379 606129643 /nfs/dbraw/zinc/12/96/43/606129643.db2.gz IWZIYOUDVBOWAV-UHFFFAOYSA-N -1 1 370.391 -0.626 20 0 FBADMM COCCCS(=O)(=O)NCCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821688379 606129641 /nfs/dbraw/zinc/12/96/41/606129641.db2.gz IWZIYOUDVBOWAV-UHFFFAOYSA-N -1 1 370.391 -0.626 20 0 FBADMM COCCCS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000821688555 607307452 /nfs/dbraw/zinc/30/74/52/607307452.db2.gz POCHZGMXULQUSY-UHFFFAOYSA-N -1 1 368.423 -0.855 20 0 FBADMM COCCCS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000821688555 607307451 /nfs/dbraw/zinc/30/74/51/607307451.db2.gz POCHZGMXULQUSY-UHFFFAOYSA-N -1 1 368.423 -0.855 20 0 FBADMM COCCN(CC(=O)OC(C)(C)C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821688887 607214638 /nfs/dbraw/zinc/21/46/38/607214638.db2.gz AUMMWBAKZWDQDX-UHFFFAOYSA-N -1 1 366.382 -0.725 20 0 FBADMM COCCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)[C@H](C)C(N)=O ZINC000821688889 607450432 /nfs/dbraw/zinc/45/04/32/607450432.db2.gz AZCJCPQIZSEQLT-SECBINFHSA-N -1 1 365.394 -0.163 20 0 FBADMM COCCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)[C@@H](C)C(N)=O ZINC000821688890 607450405 /nfs/dbraw/zinc/45/04/05/607450405.db2.gz AZCJCPQIZSEQLT-VIFPVBQESA-N -1 1 365.394 -0.163 20 0 FBADMM COCCN(Cc1ccco1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821690400 607114692 /nfs/dbraw/zinc/11/46/92/607114692.db2.gz KANKWBOQAQWUDF-UHFFFAOYSA-N -1 1 361.362 -0.490 20 0 FBADMM COCCN(Cc1cccnc1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821690409 606830180 /nfs/dbraw/zinc/83/01/80/606830180.db2.gz KOWOBCBJGWFYBU-UHFFFAOYSA-N -1 1 372.389 -0.688 20 0 FBADMM COCCN(Cc1ccccc1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821690481 607305625 /nfs/dbraw/zinc/30/56/25/607305625.db2.gz NFFLCJPOBZOUSM-UHFFFAOYSA-N -1 1 371.401 -0.083 20 0 FBADMM COCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000821691145 599336003 /nfs/dbraw/zinc/33/60/03/599336003.db2.gz KNJNZRVPWHYUSR-UHFFFAOYSA-N -1 1 353.408 -0.786 20 0 FBADMM COCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000821691145 599336000 /nfs/dbraw/zinc/33/60/00/599336000.db2.gz KNJNZRVPWHYUSR-UHFFFAOYSA-N -1 1 353.408 -0.786 20 0 FBADMM COCCN1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821691212 599335868 /nfs/dbraw/zinc/33/58/68/599335868.db2.gz MUJCAHCECGSJLM-UHFFFAOYSA-N -1 1 370.410 -0.042 20 0 FBADMM COCCN1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821691212 599335866 /nfs/dbraw/zinc/33/58/66/599335866.db2.gz MUJCAHCECGSJLM-UHFFFAOYSA-N -1 1 370.410 -0.042 20 0 FBADMM COCCN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821691277 606840844 /nfs/dbraw/zinc/84/08/44/606840844.db2.gz ORRMAMBTFVKAGW-UHFFFAOYSA-N -1 1 370.410 -0.042 20 0 FBADMM COCCNC(=S)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821691327 606765296 /nfs/dbraw/zinc/76/52/96/606765296.db2.gz QNFBCZFAJYFIAS-JTQLQIEISA-N -1 1 363.451 -0.312 20 0 FBADMM COCCNC(=S)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821691327 606765295 /nfs/dbraw/zinc/76/52/95/606765295.db2.gz QNFBCZFAJYFIAS-JTQLQIEISA-N -1 1 363.451 -0.312 20 0 FBADMM COCCNC(=S)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821691328 606765321 /nfs/dbraw/zinc/76/53/21/606765321.db2.gz QNFBCZFAJYFIAS-SNVBAGLBSA-N -1 1 363.451 -0.312 20 0 FBADMM COCCNC(=S)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821691328 606765319 /nfs/dbraw/zinc/76/53/19/606765319.db2.gz QNFBCZFAJYFIAS-SNVBAGLBSA-N -1 1 363.451 -0.312 20 0 FBADMM COCCOCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821692006 606818874 /nfs/dbraw/zinc/81/88/74/606818874.db2.gz MLVYAHMDHYZSRK-LLVKDONJSA-N -1 1 362.394 -0.643 20 0 FBADMM COCCOCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821692006 606818873 /nfs/dbraw/zinc/81/88/73/606818873.db2.gz MLVYAHMDHYZSRK-LLVKDONJSA-N -1 1 362.394 -0.643 20 0 FBADMM COCCOCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821692007 606819104 /nfs/dbraw/zinc/81/91/04/606819104.db2.gz MLVYAHMDHYZSRK-NSHDSACASA-N -1 1 362.394 -0.643 20 0 FBADMM COCCOCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821692007 606819102 /nfs/dbraw/zinc/81/91/02/606819102.db2.gz MLVYAHMDHYZSRK-NSHDSACASA-N -1 1 362.394 -0.643 20 0 FBADMM COCCOC[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000821692446 599372227 /nfs/dbraw/zinc/37/22/27/599372227.db2.gz XWHSPLPAAFBNNG-LLVKDONJSA-N -1 1 368.419 -0.065 20 0 FBADMM COCCOC[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000821692446 599372224 /nfs/dbraw/zinc/37/22/24/599372224.db2.gz XWHSPLPAAFBNNG-LLVKDONJSA-N -1 1 368.419 -0.065 20 0 FBADMM COCCOC[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000821692447 599372176 /nfs/dbraw/zinc/37/21/76/599372176.db2.gz XWHSPLPAAFBNNG-NSHDSACASA-N -1 1 368.419 -0.065 20 0 FBADMM COCCOC[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000821692447 599372174 /nfs/dbraw/zinc/37/21/74/599372174.db2.gz XWHSPLPAAFBNNG-NSHDSACASA-N -1 1 368.419 -0.065 20 0 FBADMM COCCOc1ccccc1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821693560 607209679 /nfs/dbraw/zinc/20/96/79/607209679.db2.gz DKUZWZHVKZZJDP-UHFFFAOYSA-N -1 1 358.362 -0.200 20 0 FBADMM COCCOc1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cn1 ZINC000821693802 607208161 /nfs/dbraw/zinc/20/81/61/607208161.db2.gz OBSMMETVMJQYKV-UHFFFAOYSA-N -1 1 359.350 -0.805 20 0 FBADMM COCCc1noc(CN(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)n1 ZINC000821694323 606956401 /nfs/dbraw/zinc/95/64/01/606956401.db2.gz IIEJRFFXYQTDJX-UHFFFAOYSA-N -1 1 362.354 -0.164 20 0 FBADMM COCCc1noc(CN(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)n1 ZINC000821694323 606956399 /nfs/dbraw/zinc/95/63/99/606956399.db2.gz IIEJRFFXYQTDJX-UHFFFAOYSA-N -1 1 362.354 -0.164 20 0 FBADMM COCCOc1ncccc1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821694326 607211543 /nfs/dbraw/zinc/21/15/43/607211543.db2.gz ILQCJHZILUQXSI-UHFFFAOYSA-N -1 1 359.350 -0.805 20 0 FBADMM COCCS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821694582 606849054 /nfs/dbraw/zinc/84/90/54/606849054.db2.gz TUHRRSFGISTLSG-JTQLQIEISA-N -1 1 368.423 -0.857 20 0 FBADMM COCCS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821694582 606849052 /nfs/dbraw/zinc/84/90/52/606849052.db2.gz TUHRRSFGISTLSG-JTQLQIEISA-N -1 1 368.423 -0.857 20 0 FBADMM COCCS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821694583 606848917 /nfs/dbraw/zinc/84/89/17/606848917.db2.gz TUHRRSFGISTLSG-SNVBAGLBSA-N -1 1 368.423 -0.857 20 0 FBADMM COCCS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821694583 606848915 /nfs/dbraw/zinc/84/89/15/606848915.db2.gz TUHRRSFGISTLSG-SNVBAGLBSA-N -1 1 368.423 -0.857 20 0 FBADMM COCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC000821696670 606904584 /nfs/dbraw/zinc/90/45/84/606904584.db2.gz LVUUAFBJAAXZLS-JTQLQIEISA-N -1 1 355.362 -0.256 20 0 FBADMM COCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC000821696670 606904582 /nfs/dbraw/zinc/90/45/82/606904582.db2.gz LVUUAFBJAAXZLS-JTQLQIEISA-N -1 1 355.362 -0.256 20 0 FBADMM COCc1nc2n(n1)C[C@H](NC(=O)c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC000821696671 606904443 /nfs/dbraw/zinc/90/44/43/606904443.db2.gz LVUUAFBJAAXZLS-SNVBAGLBSA-N -1 1 355.362 -0.256 20 0 FBADMM COCc1nc2n(n1)C[C@H](NC(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC000821696671 606904441 /nfs/dbraw/zinc/90/44/41/606904441.db2.gz LVUUAFBJAAXZLS-SNVBAGLBSA-N -1 1 355.362 -0.256 20 0 FBADMM COCc1nc2n(n1)C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)CC2 ZINC000821696762 606907747 /nfs/dbraw/zinc/90/77/47/606907747.db2.gz PBAHUDYIHQAGGF-MRVPVSSYSA-N -1 1 373.381 -0.525 20 0 FBADMM COCc1nc2n(n1)C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)CC2 ZINC000821696762 606907746 /nfs/dbraw/zinc/90/77/46/606907746.db2.gz PBAHUDYIHQAGGF-MRVPVSSYSA-N -1 1 373.381 -0.525 20 0 FBADMM COCc1nc2n(n1)C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)CC2 ZINC000821696763 606907785 /nfs/dbraw/zinc/90/77/85/606907785.db2.gz PBAHUDYIHQAGGF-QMMMGPOBSA-N -1 1 373.381 -0.525 20 0 FBADMM COCc1nc2n(n1)C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)CC2 ZINC000821696763 606907783 /nfs/dbraw/zinc/90/77/83/606907783.db2.gz PBAHUDYIHQAGGF-QMMMGPOBSA-N -1 1 373.381 -0.525 20 0 FBADMM CON(C)C(=O)c1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821696891 607213484 /nfs/dbraw/zinc/21/34/84/607213484.db2.gz TUOSKTBAQFBOEB-UHFFFAOYSA-N -1 1 357.334 -0.270 20 0 FBADMM COCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821697023 606772281 /nfs/dbraw/zinc/77/22/81/606772281.db2.gz YGUCBNCSQAMRDV-SECBINFHSA-N -1 1 373.381 -0.005 20 0 FBADMM COCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821697023 606772279 /nfs/dbraw/zinc/77/22/79/606772279.db2.gz YGUCBNCSQAMRDV-SECBINFHSA-N -1 1 373.381 -0.005 20 0 FBADMM COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821697024 606772152 /nfs/dbraw/zinc/77/21/52/606772152.db2.gz YGUCBNCSQAMRDV-VIFPVBQESA-N -1 1 373.381 -0.005 20 0 FBADMM COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821697024 606772151 /nfs/dbraw/zinc/77/21/51/606772151.db2.gz YGUCBNCSQAMRDV-VIFPVBQESA-N -1 1 373.381 -0.005 20 0 FBADMM COc1cc(OC)cc([C@H](O)CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821723489 607223915 /nfs/dbraw/zinc/22/39/15/607223915.db2.gz BCQXNKSMEDLOFZ-GFCCVEGCSA-N -1 1 374.361 -0.675 20 0 FBADMM COc1cc(OC)cc([C@@H](O)CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821723490 607223662 /nfs/dbraw/zinc/22/36/62/607223662.db2.gz BCQXNKSMEDLOFZ-LBPRGKRZSA-N -1 1 374.361 -0.675 20 0 FBADMM COc1cc(OC)cc(C(=O)NCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1 ZINC000821724325 606530685 /nfs/dbraw/zinc/53/06/85/606530685.db2.gz SJFYKDMNBDTTHC-UHFFFAOYSA-N -1 1 372.345 -0.025 20 0 FBADMM COc1cc(OC)cc(C(=O)NCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1 ZINC000821724325 606530682 /nfs/dbraw/zinc/53/06/82/606530682.db2.gz SJFYKDMNBDTTHC-UHFFFAOYSA-N -1 1 372.345 -0.025 20 0 FBADMM COc1cc2c(nn1)CCN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)C2 ZINC000821727254 607070190 /nfs/dbraw/zinc/07/01/90/607070190.db2.gz GCWRQROQNBEXAH-UHFFFAOYSA-N -1 1 356.350 -0.011 20 0 FBADMM COc1cc2c(nn1)CCN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)C2 ZINC000821727254 607070187 /nfs/dbraw/zinc/07/01/87/607070187.db2.gz GCWRQROQNBEXAH-UHFFFAOYSA-N -1 1 356.350 -0.011 20 0 FBADMM COc1cc2nc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)[nH]c2cc1OC ZINC000821727338 607216775 /nfs/dbraw/zinc/21/67/75/607216775.db2.gz IAKBCLBLUKQTPP-UHFFFAOYSA-N -1 1 370.333 -0.010 20 0 FBADMM COc1cc(OC)cc(OCCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821728568 607224259 /nfs/dbraw/zinc/22/42/59/607224259.db2.gz WUQWJBUCXQRPBH-UHFFFAOYSA-N -1 1 374.361 -0.329 20 0 FBADMM COc1cc2c(nn1)CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC000821728691 607005453 /nfs/dbraw/zinc/00/54/53/607005453.db2.gz YJDAMRITTVZEGH-UHFFFAOYSA-N -1 1 374.386 -0.193 20 0 FBADMM COc1cc2c(nn1)CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC000821728691 607005450 /nfs/dbraw/zinc/00/54/50/607005450.db2.gz YJDAMRITTVZEGH-UHFFFAOYSA-N -1 1 374.386 -0.193 20 0 FBADMM COc1ccc(C(=O)NCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1OC ZINC000821770179 606530800 /nfs/dbraw/zinc/53/08/00/606530800.db2.gz QEILWSUFZHLDCJ-UHFFFAOYSA-N -1 1 372.345 -0.025 20 0 FBADMM COc1ccc(C(=O)NCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1OC ZINC000821770179 606530798 /nfs/dbraw/zinc/53/07/98/606530798.db2.gz QEILWSUFZHLDCJ-UHFFFAOYSA-N -1 1 372.345 -0.025 20 0 FBADMM COc1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1N1CCNC1=O ZINC000821772525 599316615 /nfs/dbraw/zinc/31/66/15/599316615.db2.gz DKPPUPRNEBNCSZ-UHFFFAOYSA-N -1 1 369.345 -0.128 20 0 FBADMM COc1ccc(CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(OC)c1 ZINC000821789903 607211276 /nfs/dbraw/zinc/21/12/76/607211276.db2.gz BNFJWLBHPTWTJB-UHFFFAOYSA-N -1 1 358.362 -0.166 20 0 FBADMM COc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1-n1cnnn1 ZINC000821831931 607219653 /nfs/dbraw/zinc/21/96/53/607219653.db2.gz SWNKOQLVBUPHJF-UHFFFAOYSA-N -1 1 368.321 -0.919 20 0 FBADMM COc1ccc(OC)c(CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821842566 607210736 /nfs/dbraw/zinc/21/07/36/607210736.db2.gz RXLMFFUCNBRDFJ-UHFFFAOYSA-N -1 1 358.362 -0.166 20 0 FBADMM COc1ccc(OC)c([C@H](O)CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821843059 607223748 /nfs/dbraw/zinc/22/37/48/607223748.db2.gz YFVLFDLOAXDESO-LLVKDONJSA-N -1 1 374.361 -0.675 20 0 FBADMM COc1ccc(OC)c([C@@H](O)CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821843062 607223643 /nfs/dbraw/zinc/22/36/43/607223643.db2.gz YFVLFDLOAXDESO-NSHDSACASA-N -1 1 374.361 -0.675 20 0 FBADMM COc1cccc(C(=O)NCCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821860203 607206472 /nfs/dbraw/zinc/20/64/72/607206472.db2.gz YNVQHKYKSQBCEQ-UHFFFAOYSA-N -1 1 371.361 -0.987 20 0 FBADMM COc1cccc([C@@H](CO)Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000821863449 599582639 /nfs/dbraw/zinc/58/26/39/599582639.db2.gz KLQYCLDORSPEDP-LLVKDONJSA-N -1 1 373.373 -0.582 20 0 FBADMM COc1cccc([C@H](CO)Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000821863450 599582689 /nfs/dbraw/zinc/58/26/89/599582689.db2.gz KLQYCLDORSPEDP-NSHDSACASA-N -1 1 373.373 -0.582 20 0 FBADMM COc1cccc(CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1OC ZINC000821867292 607208952 /nfs/dbraw/zinc/20/89/52/607208952.db2.gz AYGRJISAGHSTSM-UHFFFAOYSA-N -1 1 358.362 -0.166 20 0 FBADMM COc1cccc(CCNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)n1 ZINC000821868057 606633374 /nfs/dbraw/zinc/63/33/74/606633374.db2.gz NWJDMCPCBMNQSI-UHFFFAOYSA-N -1 1 358.362 -0.678 20 0 FBADMM COc1cccc(N2CC[C@@H](NC(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)c1 ZINC000821871794 607213448 /nfs/dbraw/zinc/21/34/48/607213448.db2.gz DRTCGVOPFNREEE-LLVKDONJSA-N -1 1 369.389 -0.138 20 0 FBADMM COc1cccc(N2CC[C@H](NC(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)c1 ZINC000821871796 607213493 /nfs/dbraw/zinc/21/34/93/607213493.db2.gz DRTCGVOPFNREEE-NSHDSACASA-N -1 1 369.389 -0.138 20 0 FBADMM COc1cccc(N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)c1 ZINC000821873573 607205126 /nfs/dbraw/zinc/20/51/26/607205126.db2.gz VOMMOESVJHTUMF-UHFFFAOYSA-N -1 1 369.389 -0.184 20 0 FBADMM COc1cccc2c1OC[C@@H](NC(=O)Cn1cnc(-c3nn[n-]n3)n1)C2 ZINC000821877305 607214504 /nfs/dbraw/zinc/21/45/04/607214504.db2.gz HBWXPZZOWYTZRK-JTQLQIEISA-N -1 1 356.346 -0.413 20 0 FBADMM COc1cccc2c1OC[C@H](NC(=O)Cn1cnc(-c3nn[n-]n3)n1)C2 ZINC000821877306 607214375 /nfs/dbraw/zinc/21/43/75/607214375.db2.gz HBWXPZZOWYTZRK-SNVBAGLBSA-N -1 1 356.346 -0.413 20 0 FBADMM COc1ccccc1N1CC[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821898904 607223300 /nfs/dbraw/zinc/22/33/00/607223300.db2.gz UAQFZSFSSXUOIF-LLVKDONJSA-N -1 1 369.389 -0.138 20 0 FBADMM COc1ccccc1N1CC[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821898907 607223113 /nfs/dbraw/zinc/22/31/13/607223113.db2.gz UAQFZSFSSXUOIF-NSHDSACASA-N -1 1 369.389 -0.138 20 0 FBADMM COc1ncncc1NC(=O)NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000821920022 606774254 /nfs/dbraw/zinc/77/42/54/606774254.db2.gz KIGCWNPUKWUIAD-UHFFFAOYSA-N -1 1 359.354 -0.275 20 0 FBADMM COc1ncncc1NC(=O)NCCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000821920022 606774252 /nfs/dbraw/zinc/77/42/52/606774252.db2.gz KIGCWNPUKWUIAD-UHFFFAOYSA-N -1 1 359.354 -0.275 20 0 FBADMM CS(=O)(=O)[C@H]1CSCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821920649 606794947 /nfs/dbraw/zinc/79/49/47/606794947.db2.gz VQTWGXONMKBGRZ-JTQLQIEISA-N -1 1 354.417 -0.179 20 0 FBADMM CS(=O)(=O)[C@H]1CSCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821920649 606794945 /nfs/dbraw/zinc/79/49/45/606794945.db2.gz VQTWGXONMKBGRZ-JTQLQIEISA-N -1 1 354.417 -0.179 20 0 FBADMM CS(=O)(=O)[C@@H]1CSCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821920651 606794999 /nfs/dbraw/zinc/79/49/99/606794999.db2.gz VQTWGXONMKBGRZ-SNVBAGLBSA-N -1 1 354.417 -0.179 20 0 FBADMM CS(=O)(=O)[C@@H]1CSCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821920651 606794997 /nfs/dbraw/zinc/79/49/97/606794997.db2.gz VQTWGXONMKBGRZ-SNVBAGLBSA-N -1 1 354.417 -0.179 20 0 FBADMM CS(=O)(=O)CC1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000821927139 606435935 /nfs/dbraw/zinc/43/59/35/606435935.db2.gz QWKFSADIWSDGSZ-UHFFFAOYSA-N -1 1 372.432 -0.635 20 0 FBADMM CS(=O)(=O)CC1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000821927139 606435933 /nfs/dbraw/zinc/43/59/33/606435933.db2.gz QWKFSADIWSDGSZ-UHFFFAOYSA-N -1 1 372.432 -0.635 20 0 FBADMM CS(=O)(=O)N1CCC(C(=O)Nc2ncc(-c3nn[n-]n3)s2)CC1 ZINC000821931235 661087579 /nfs/dbraw/zinc/08/75/79/661087579.db2.gz AYQIKKUJCKTAFP-UHFFFAOYSA-N -1 1 357.421 -0.067 20 0 FBADMM CS(=O)(=O)N1CCC(C(=O)Nc2ncc(-c3nnn[n-]3)s2)CC1 ZINC000821931235 661087577 /nfs/dbraw/zinc/08/75/77/661087577.db2.gz AYQIKKUJCKTAFP-UHFFFAOYSA-N -1 1 357.421 -0.067 20 0 FBADMM CS(=O)(=O)N1CCC[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821931432 606649523 /nfs/dbraw/zinc/64/95/23/606649523.db2.gz DIJOOPCCCLBNIS-LLVKDONJSA-N -1 1 352.376 -0.271 20 0 FBADMM CS(=O)(=O)N1CCC[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821931432 606649522 /nfs/dbraw/zinc/64/95/22/606649522.db2.gz DIJOOPCCCLBNIS-LLVKDONJSA-N -1 1 352.376 -0.271 20 0 FBADMM CS(=O)(=O)N1CCC[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821931439 607598486 /nfs/dbraw/zinc/59/84/86/607598486.db2.gz DIJOOPCCCLBNIS-NSHDSACASA-N -1 1 352.376 -0.271 20 0 FBADMM CS(=O)(=O)N1CCC[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821931439 607598485 /nfs/dbraw/zinc/59/84/85/607598485.db2.gz DIJOOPCCCLBNIS-NSHDSACASA-N -1 1 352.376 -0.271 20 0 FBADMM CS(=O)(=O)N1CCC(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000821932584 606647421 /nfs/dbraw/zinc/64/74/21/606647421.db2.gz NWOMBXCQYVBDSQ-UHFFFAOYSA-N -1 1 366.403 -0.024 20 0 FBADMM CS(=O)(=O)N1CCC(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000821932584 606647420 /nfs/dbraw/zinc/64/74/20/606647420.db2.gz NWOMBXCQYVBDSQ-UHFFFAOYSA-N -1 1 366.403 -0.024 20 0 FBADMM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821932926 606818895 /nfs/dbraw/zinc/81/88/95/606818895.db2.gz UOWNGRYFDJGBIG-GXSJLCMTSA-N -1 1 365.419 -0.291 20 0 FBADMM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821932926 606818893 /nfs/dbraw/zinc/81/88/93/606818893.db2.gz UOWNGRYFDJGBIG-GXSJLCMTSA-N -1 1 365.419 -0.291 20 0 FBADMM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821932927 606819293 /nfs/dbraw/zinc/81/92/93/606819293.db2.gz UOWNGRYFDJGBIG-KOLCDFICSA-N -1 1 365.419 -0.291 20 0 FBADMM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821932927 606819291 /nfs/dbraw/zinc/81/92/91/606819291.db2.gz UOWNGRYFDJGBIG-KOLCDFICSA-N -1 1 365.419 -0.291 20 0 FBADMM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821932928 606818947 /nfs/dbraw/zinc/81/89/47/606818947.db2.gz UOWNGRYFDJGBIG-MWLCHTKSSA-N -1 1 365.419 -0.291 20 0 FBADMM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821932928 606818946 /nfs/dbraw/zinc/81/89/46/606818946.db2.gz UOWNGRYFDJGBIG-MWLCHTKSSA-N -1 1 365.419 -0.291 20 0 FBADMM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821932929 606818926 /nfs/dbraw/zinc/81/89/26/606818926.db2.gz UOWNGRYFDJGBIG-ONGXEEELSA-N -1 1 365.419 -0.291 20 0 FBADMM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821932929 606818925 /nfs/dbraw/zinc/81/89/25/606818925.db2.gz UOWNGRYFDJGBIG-ONGXEEELSA-N -1 1 365.419 -0.291 20 0 FBADMM C[S@](=O)C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000821941350 607219678 /nfs/dbraw/zinc/21/96/78/607219678.db2.gz FEGWTEISTGMDTE-FTJNGKRUSA-N -1 1 360.403 -0.306 20 0 FBADMM C[S@@](=O)C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000821941353 607219624 /nfs/dbraw/zinc/21/96/24/607219624.db2.gz FEGWTEISTGMDTE-JPQMIFPKSA-N -1 1 360.403 -0.306 20 0 FBADMM C[S@](=O)C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000821941356 607219572 /nfs/dbraw/zinc/21/95/72/607219572.db2.gz FEGWTEISTGMDTE-NDHGSNPTSA-N -1 1 360.403 -0.306 20 0 FBADMM C[S@@](=O)C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000821941357 607219811 /nfs/dbraw/zinc/21/98/11/607219811.db2.gz FEGWTEISTGMDTE-SSINHNECSA-N -1 1 360.403 -0.306 20 0 FBADMM CS(=O)(=O)c1nccn1Cc1cc(=O)n2ncc(-c3nn[n-]n3)c2[nH]1 ZINC000821943201 599697402 /nfs/dbraw/zinc/69/74/02/599697402.db2.gz UEQMKQGNZHQJHY-UHFFFAOYSA-N -1 1 361.347 -0.737 20 0 FBADMM CSC1(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCOCC1 ZINC000821950333 599052988 /nfs/dbraw/zinc/05/29/88/599052988.db2.gz MOLHIQYVWPXNQE-UHFFFAOYSA-N -1 1 367.435 -0.412 20 0 FBADMM CS[C@@H]1CCCCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000821956620 607386198 /nfs/dbraw/zinc/38/61/98/607386198.db2.gz TUERPWFNFJZSQA-SECBINFHSA-N -1 1 351.436 -0.014 20 0 FBADMM CS[C@H]1CCCCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000821956621 607386401 /nfs/dbraw/zinc/38/64/01/607386401.db2.gz TUERPWFNFJZSQA-VIFPVBQESA-N -1 1 351.436 -0.014 20 0 FBADMM C[C@H](c1ccccc1)N(CC(N)=O)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822000275 607223066 /nfs/dbraw/zinc/22/30/66/607223066.db2.gz DWUNNOGMYYQPKP-SNVBAGLBSA-N -1 1 355.362 -0.467 20 0 FBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC(=O)NC1CC1 ZINC000822005379 607325366 /nfs/dbraw/zinc/32/53/66/607325366.db2.gz QOVKIUPBQPJHLY-UHFFFAOYSA-N -1 1 359.390 -0.088 20 0 FBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000822005840 606688540 /nfs/dbraw/zinc/68/85/40/606688540.db2.gz UKVCTFNFVSWLQT-PHIMTYICSA-N -1 1 362.390 -0.529 20 0 FBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCn1ncnn1 ZINC000822006011 606774164 /nfs/dbraw/zinc/77/41/64/606774164.db2.gz XECAKSRSJRORIH-UHFFFAOYSA-N -1 1 358.366 -0.680 20 0 FBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1cc(C(N)=O)[nH]n1 ZINC000822010165 607187705 /nfs/dbraw/zinc/18/77/05/607187705.db2.gz QKWMGKRBDOPBJP-UHFFFAOYSA-N -1 1 371.361 -0.023 20 0 FBADMM Cc1c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)nnn1C ZINC000822015820 606822510 /nfs/dbraw/zinc/82/25/10/606822510.db2.gz PEZUADRRDQFCEH-SECBINFHSA-N -1 1 369.393 -0.555 20 0 FBADMM Cc1c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)nnn1C ZINC000822015820 606822508 /nfs/dbraw/zinc/82/25/08/606822508.db2.gz PEZUADRRDQFCEH-SECBINFHSA-N -1 1 369.393 -0.555 20 0 FBADMM Cc1c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)nnn1C ZINC000822015821 606822649 /nfs/dbraw/zinc/82/26/49/606822649.db2.gz PEZUADRRDQFCEH-VIFPVBQESA-N -1 1 369.393 -0.555 20 0 FBADMM Cc1c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)nnn1C ZINC000822015821 606822647 /nfs/dbraw/zinc/82/26/47/606822647.db2.gz PEZUADRRDQFCEH-VIFPVBQESA-N -1 1 369.393 -0.555 20 0 FBADMM Cc1cc(=O)n(C)cc1NC(=O)NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000822161040 607138553 /nfs/dbraw/zinc/13/85/53/607138553.db2.gz NQPRAUFGPSTFHW-UHFFFAOYSA-N -1 1 372.393 -0.067 20 0 FBADMM Cc1cc(=O)n(C)cc1NC(=O)NCCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000822161040 607138551 /nfs/dbraw/zinc/13/85/51/607138551.db2.gz NQPRAUFGPSTFHW-UHFFFAOYSA-N -1 1 372.393 -0.067 20 0 FBADMM Cc1cc(C)n(C[C@H]2CN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CCO2)n1 ZINC000822198798 607216131 /nfs/dbraw/zinc/21/61/31/607216131.db2.gz KQIDIPMQKFWUGC-GFCCVEGCSA-N -1 1 372.393 -0.801 20 0 FBADMM Cc1cc(C)n(C[C@@H]2CN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CCO2)n1 ZINC000822198799 607215980 /nfs/dbraw/zinc/21/59/80/607215980.db2.gz KQIDIPMQKFWUGC-LBPRGKRZSA-N -1 1 372.393 -0.801 20 0 FBADMM Cc1cc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)[nH]n1 ZINC000822199778 606824515 /nfs/dbraw/zinc/82/45/15/606824515.db2.gz HMLUZQIQRLVJIL-LLVKDONJSA-N -1 1 368.405 -0.032 20 0 FBADMM Cc1cc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)[nH]n1 ZINC000822199778 606824514 /nfs/dbraw/zinc/82/45/14/606824514.db2.gz HMLUZQIQRLVJIL-LLVKDONJSA-N -1 1 368.405 -0.032 20 0 FBADMM Cc1cc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)[nH]n1 ZINC000822199779 606824182 /nfs/dbraw/zinc/82/41/82/606824182.db2.gz HMLUZQIQRLVJIL-NSHDSACASA-N -1 1 368.405 -0.032 20 0 FBADMM Cc1cc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)[nH]n1 ZINC000822199779 606824181 /nfs/dbraw/zinc/82/41/81/606824181.db2.gz HMLUZQIQRLVJIL-NSHDSACASA-N -1 1 368.405 -0.032 20 0 FBADMM Cc1cc(CN2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)on1 ZINC000822199980 607205736 /nfs/dbraw/zinc/20/57/36/607205736.db2.gz PJEVMDQJGMBCLM-UHFFFAOYSA-N -1 1 358.366 -0.901 20 0 FBADMM Cc1cc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n2ncnc2n1 ZINC000822205900 599144171 /nfs/dbraw/zinc/14/41/71/599144171.db2.gz MWNXXZVSNUAAMW-UHFFFAOYSA-N -1 1 354.382 -0.013 20 0 FBADMM Cc1cc(N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n2ncnc2n1 ZINC000822205900 599144170 /nfs/dbraw/zinc/14/41/70/599144170.db2.gz MWNXXZVSNUAAMW-UHFFFAOYSA-N -1 1 354.382 -0.013 20 0 FBADMM Cc1cc(N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)nc3)C2=O)n(C)n1 ZINC000822207332 599196429 /nfs/dbraw/zinc/19/64/29/599196429.db2.gz RZMFVEYHWVBSMY-GFCCVEGCSA-N -1 1 367.373 -0.161 20 0 FBADMM Cc1cc(N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)nc3)C2=O)n(C)n1 ZINC000822207332 599196427 /nfs/dbraw/zinc/19/64/27/599196427.db2.gz RZMFVEYHWVBSMY-GFCCVEGCSA-N -1 1 367.373 -0.161 20 0 FBADMM Cc1cc(N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)nc3)C2=O)n(C)n1 ZINC000822207333 599196125 /nfs/dbraw/zinc/19/61/25/599196125.db2.gz RZMFVEYHWVBSMY-LBPRGKRZSA-N -1 1 367.373 -0.161 20 0 FBADMM Cc1cc(N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)nc3)C2=O)n(C)n1 ZINC000822207333 599196123 /nfs/dbraw/zinc/19/61/23/599196123.db2.gz RZMFVEYHWVBSMY-LBPRGKRZSA-N -1 1 367.373 -0.161 20 0 FBADMM Cc1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)ccc1-n1cnnn1 ZINC000822208380 607206711 /nfs/dbraw/zinc/20/67/11/607206711.db2.gz PFPCLKICYJKYDY-UHFFFAOYSA-N -1 1 352.322 -0.619 20 0 FBADMM Cc1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c(=O)n(C)c1 ZINC000822208518 607078937 /nfs/dbraw/zinc/07/89/37/607078937.db2.gz WCKXFZFMUJCSOV-UHFFFAOYSA-N -1 1 372.393 -0.067 20 0 FBADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]C(=O)CCc1nc[nH]n1 ZINC000822222758 607130127 /nfs/dbraw/zinc/13/01/27/607130127.db2.gz SGGPUCPJHGTGBE-UHFFFAOYSA-N -1 1 362.375 -0.269 20 0 FBADMM Cc1ccc(C(=O)NCCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000822226485 607209585 /nfs/dbraw/zinc/20/95/85/607209585.db2.gz UVWKMPGYSWGRPT-UHFFFAOYSA-N -1 1 355.362 -0.687 20 0 FBADMM Cc1ccc(C(=O)NCCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1F ZINC000822226510 607206661 /nfs/dbraw/zinc/20/66/61/607206661.db2.gz VYTQHNODSLXPAB-UHFFFAOYSA-N -1 1 373.352 -0.548 20 0 FBADMM Cc1ccc([C@@H]2COCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)o1 ZINC000822233907 606476288 /nfs/dbraw/zinc/47/62/88/606476288.db2.gz XNZIGYONZIKEQM-JTQLQIEISA-N -1 1 373.373 -0.257 20 0 FBADMM Cc1ccc([C@H]2COCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)o1 ZINC000822233908 606476254 /nfs/dbraw/zinc/47/62/54/606476254.db2.gz XNZIGYONZIKEQM-SNVBAGLBSA-N -1 1 373.373 -0.257 20 0 FBADMM Cc1ccc(N2CCC[C@@H](NC(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)nn1 ZINC000822240970 607218439 /nfs/dbraw/zinc/21/84/39/607218439.db2.gz HDFVZAGRMRHQTB-LLVKDONJSA-N -1 1 369.393 -0.658 20 0 FBADMM Cc1ccc(N2CCC[C@H](NC(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)nn1 ZINC000822240971 607218579 /nfs/dbraw/zinc/21/85/79/607218579.db2.gz HDFVZAGRMRHQTB-NSHDSACASA-N -1 1 369.393 -0.658 20 0 FBADMM Cc1ccc(N2CC[C@@H](NC(=O)Cn3cnc(-c4nn[n-]n4)n3)C2=O)cc1 ZINC000822241374 607219719 /nfs/dbraw/zinc/21/97/19/607219719.db2.gz UAJRADYYSREEBQ-GFCCVEGCSA-N -1 1 367.373 -0.312 20 0 FBADMM Cc1ccc(N2CC[C@H](NC(=O)Cn3cnc(-c4nn[n-]n4)n3)C2=O)cc1 ZINC000822241375 607219554 /nfs/dbraw/zinc/21/95/54/607219554.db2.gz UAJRADYYSREEBQ-LBPRGKRZSA-N -1 1 367.373 -0.312 20 0 FBADMM Cc1ccc(N2CCCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)nn1 ZINC000822242618 607215342 /nfs/dbraw/zinc/21/53/42/607215342.db2.gz RJTQXRBHTORTOS-UHFFFAOYSA-N -1 1 369.393 -0.704 20 0 FBADMM Cc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1-n1cnnn1 ZINC000822248743 607207362 /nfs/dbraw/zinc/20/73/62/607207362.db2.gz LYBSCZLYZZVMTF-UHFFFAOYSA-N -1 1 352.322 -0.619 20 0 FBADMM Cc1cccc(C(=O)NCCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000822284316 607209508 /nfs/dbraw/zinc/20/95/08/607209508.db2.gz ONELJHXUNGNZFS-UHFFFAOYSA-N -1 1 355.362 -0.687 20 0 FBADMM Cc1cccc([C@H](O)CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000822288857 607127684 /nfs/dbraw/zinc/12/76/84/607127684.db2.gz LHFFGXHDDCNNAB-LLVKDONJSA-N -1 1 357.374 -0.282 20 0 FBADMM Cc1cccc([C@@H](O)CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000822288858 607127592 /nfs/dbraw/zinc/12/75/92/607127592.db2.gz LHFFGXHDDCNNAB-NSHDSACASA-N -1 1 357.374 -0.282 20 0 FBADMM Cc1cccc(C)c1OC[C@H](O)CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822293987 607224389 /nfs/dbraw/zinc/22/43/89/607224389.db2.gz RZQHRDLGOBZPPF-GFCCVEGCSA-N -1 1 372.389 -0.369 20 0 FBADMM Cc1cccc(C)c1OC[C@@H](O)CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822293993 607224483 /nfs/dbraw/zinc/22/44/83/607224483.db2.gz RZQHRDLGOBZPPF-LBPRGKRZSA-N -1 1 372.389 -0.369 20 0 FBADMM Cc1cccc(OC[C@H](O)CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000822329113 607222265 /nfs/dbraw/zinc/22/22/65/607222265.db2.gz YLQRIRCYEKWOHJ-LLVKDONJSA-N -1 1 358.362 -0.677 20 0 FBADMM Cc1cccc(OC[C@@H](O)CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000822329114 607222238 /nfs/dbraw/zinc/22/22/38/607222238.db2.gz YLQRIRCYEKWOHJ-NSHDSACASA-N -1 1 358.362 -0.677 20 0 FBADMM Cc1cccc2nc(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)n(C)c21 ZINC000822340925 607359044 /nfs/dbraw/zinc/35/90/44/607359044.db2.gz NKPOGFRYRJQEAM-UHFFFAOYSA-N -1 1 352.362 -0.030 20 0 FBADMM Cc1ccccc1[C@@H](CO)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000822350737 606139244 /nfs/dbraw/zinc/13/92/44/606139244.db2.gz GMNGWSGJRNSAGY-LLVKDONJSA-N -1 1 357.374 -0.282 20 0 FBADMM Cc1ccccc1[C@H](CO)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000822350739 606139498 /nfs/dbraw/zinc/13/94/98/606139498.db2.gz GMNGWSGJRNSAGY-NSHDSACASA-N -1 1 357.374 -0.282 20 0 FBADMM Cc1cccn2cc(CCNC(=O)Cn3cnc(-c4nn[n-]n4)n3)nc12 ZINC000822366853 607221241 /nfs/dbraw/zinc/22/12/41/607221241.db2.gz WCTVVPYDSFUMFW-UHFFFAOYSA-N -1 1 352.362 -0.227 20 0 FBADMM Cc1ccn(C)c(=O)c1NC(=O)NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000822370262 606956574 /nfs/dbraw/zinc/95/65/74/606956574.db2.gz UYICJCBRRQJCJL-UHFFFAOYSA-N -1 1 372.393 -0.067 20 0 FBADMM Cc1ccn(C)c(=O)c1NC(=O)NCCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000822370262 606956572 /nfs/dbraw/zinc/95/65/72/606956572.db2.gz UYICJCBRRQJCJL-UHFFFAOYSA-N -1 1 372.393 -0.067 20 0 FBADMM Cc1ccnc(NC(=O)CN(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000822374254 607212812 /nfs/dbraw/zinc/21/28/12/607212812.db2.gz NURMHNRFTIEKMN-UHFFFAOYSA-N -1 1 356.350 -0.741 20 0 FBADMM Cc1ccsc1[C@@H](CO)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000822379197 606426039 /nfs/dbraw/zinc/42/60/39/606426039.db2.gz LZIIUBKFHPUQHX-MRVPVSSYSA-N -1 1 363.403 -0.220 20 0 FBADMM Cc1ccsc1[C@H](CO)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000822379203 606426024 /nfs/dbraw/zinc/42/60/24/606426024.db2.gz LZIIUBKFHPUQHX-QMMMGPOBSA-N -1 1 363.403 -0.220 20 0 FBADMM Cc1ccoc1C(=O)NCCCNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822379924 607219029 /nfs/dbraw/zinc/21/90/29/607219029.db2.gz VTFVCFCPHKTXPV-UHFFFAOYSA-N -1 1 359.350 -0.704 20 0 FBADMM Cc1cnc(N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)s1 ZINC000822394561 607217551 /nfs/dbraw/zinc/21/75/51/607217551.db2.gz CYSUPEIDDRYLEU-UHFFFAOYSA-N -1 1 360.407 -0.428 20 0 FBADMM Cc1cnn(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000822403175 606820788 /nfs/dbraw/zinc/82/07/88/606820788.db2.gz LSHKZHRQCMAQGC-GFCCVEGCSA-N -1 1 368.405 -0.101 20 0 FBADMM Cc1cnn(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000822403175 606820786 /nfs/dbraw/zinc/82/07/86/606820786.db2.gz LSHKZHRQCMAQGC-GFCCVEGCSA-N -1 1 368.405 -0.101 20 0 FBADMM Cc1cnn(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822403176 606820904 /nfs/dbraw/zinc/82/09/04/606820904.db2.gz LSHKZHRQCMAQGC-LBPRGKRZSA-N -1 1 368.405 -0.101 20 0 FBADMM Cc1cnn(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822403176 606820903 /nfs/dbraw/zinc/82/09/03/606820903.db2.gz LSHKZHRQCMAQGC-LBPRGKRZSA-N -1 1 368.405 -0.101 20 0 FBADMM Cc1cnn(CC2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)c1 ZINC000822403707 607220337 /nfs/dbraw/zinc/22/03/37/607220337.db2.gz SEMHRNDKYLCFNU-UHFFFAOYSA-N -1 1 356.394 -0.098 20 0 FBADMM Cc1csc(N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)n1 ZINC000822414579 607207353 /nfs/dbraw/zinc/20/73/53/607207353.db2.gz LFGJXDWOLHNZKI-UHFFFAOYSA-N -1 1 360.407 -0.428 20 0 FBADMM Cc1csc(N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)C[C@@H]2C)n1 ZINC000822414725 607218430 /nfs/dbraw/zinc/21/84/30/607218430.db2.gz RGFMLCYALMRGQF-JTQLQIEISA-N -1 1 374.434 -0.040 20 0 FBADMM Cc1csc(N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)C[C@H]2C)n1 ZINC000822414726 607218388 /nfs/dbraw/zinc/21/83/88/607218388.db2.gz RGFMLCYALMRGQF-SNVBAGLBSA-N -1 1 374.434 -0.040 20 0 FBADMM Cc1nc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])nn1-c1nc[nH]n1 ZINC000822422605 606294341 /nfs/dbraw/zinc/29/43/41/606294341.db2.gz AKZSZXGIDYEEBM-UHFFFAOYSA-N -1 1 353.306 -0.168 20 0 FBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CS[C@H](C)CO)CC2)o1 ZINC000822424506 599133773 /nfs/dbraw/zinc/13/37/73/599133773.db2.gz WRPAPYLRVYRLOQ-SECBINFHSA-N -1 1 367.435 -0.074 20 0 FBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CS[C@@H](C)CO)CC2)o1 ZINC000822424514 599133494 /nfs/dbraw/zinc/13/34/94/599133494.db2.gz WRPAPYLRVYRLOQ-VIFPVBQESA-N -1 1 367.435 -0.074 20 0 FBADMM Cc1nc(CCNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)sc1C ZINC000822439528 606875174 /nfs/dbraw/zinc/87/51/74/606875174.db2.gz CCSWGBKZJPEQEV-UHFFFAOYSA-N -1 1 362.419 -0.008 20 0 FBADMM Cc1nc(CN2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)oc1C ZINC000822440533 607214477 /nfs/dbraw/zinc/21/44/77/607214477.db2.gz MZUHQQZYDPEMHM-UHFFFAOYSA-N -1 1 372.393 -0.593 20 0 FBADMM Cc1nc(N(C)C)nc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000822449483 606969549 /nfs/dbraw/zinc/96/95/49/606969549.db2.gz BIXFWPIATFGZBB-UHFFFAOYSA-N -1 1 358.414 -0.200 20 0 FBADMM Cc1nc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)n(-c2ccccc2)n1 ZINC000822449679 607240234 /nfs/dbraw/zinc/24/02/34/607240234.db2.gz JYUGNXAAZHRDPZ-UHFFFAOYSA-N -1 1 351.334 -0.592 20 0 FBADMM Cc1nc(N2CCOCC2)ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822449915 607320651 /nfs/dbraw/zinc/32/06/51/607320651.db2.gz UYZRIPRVEURBRO-UHFFFAOYSA-N -1 1 370.377 -0.363 20 0 FBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@@H]1CNC(=O)C1 ZINC000822458623 607322788 /nfs/dbraw/zinc/32/27/88/607322788.db2.gz GDSUAKRVLGEBDH-JTQLQIEISA-N -1 1 370.373 -0.109 20 0 FBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@@H]1CNC(=O)C1 ZINC000822458623 607322787 /nfs/dbraw/zinc/32/27/87/607322787.db2.gz GDSUAKRVLGEBDH-JTQLQIEISA-N -1 1 370.373 -0.109 20 0 FBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@H]1CNC(=O)C1 ZINC000822458624 607322823 /nfs/dbraw/zinc/32/28/23/607322823.db2.gz GDSUAKRVLGEBDH-SNVBAGLBSA-N -1 1 370.373 -0.109 20 0 FBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@H]1CNC(=O)C1 ZINC000822458624 607322822 /nfs/dbraw/zinc/32/28/22/607322822.db2.gz GDSUAKRVLGEBDH-SNVBAGLBSA-N -1 1 370.373 -0.109 20 0 FBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N=c1nc[nH]n1C ZINC000822458670 606813038 /nfs/dbraw/zinc/81/30/38/606813038.db2.gz IDCVUXRVXIJLAD-UHFFFAOYSA-N -1 1 367.377 -0.352 20 0 FBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N=c1nc[nH]n1C ZINC000822458670 606813036 /nfs/dbraw/zinc/81/30/36/606813036.db2.gz IDCVUXRVXIJLAD-UHFFFAOYSA-N -1 1 367.377 -0.352 20 0 FBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1nnn(C)n1 ZINC000822459261 607262240 /nfs/dbraw/zinc/26/22/40/607262240.db2.gz OVOWHNSOHXCIEQ-UHFFFAOYSA-N -1 1 368.365 -0.379 20 0 FBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1nnn(C)n1 ZINC000822459261 607262239 /nfs/dbraw/zinc/26/22/39/607262239.db2.gz OVOWHNSOHXCIEQ-UHFFFAOYSA-N -1 1 368.365 -0.379 20 0 FBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@@H]1CCNC1=O ZINC000822459817 607261509 /nfs/dbraw/zinc/26/15/09/607261509.db2.gz XVTFIIIBDXWNLE-GFCCVEGCSA-N -1 1 370.373 -0.109 20 0 FBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@@H]1CCNC1=O ZINC000822459817 607261508 /nfs/dbraw/zinc/26/15/08/607261508.db2.gz XVTFIIIBDXWNLE-GFCCVEGCSA-N -1 1 370.373 -0.109 20 0 FBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@H]1CCNC1=O ZINC000822459818 607261663 /nfs/dbraw/zinc/26/16/63/607261663.db2.gz XVTFIIIBDXWNLE-LBPRGKRZSA-N -1 1 370.373 -0.109 20 0 FBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@H]1CCNC1=O ZINC000822459818 607261662 /nfs/dbraw/zinc/26/16/62/607261662.db2.gz XVTFIIIBDXWNLE-LBPRGKRZSA-N -1 1 370.373 -0.109 20 0 FBADMM Cc1nc2n(n1)CCC[C@H]2Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000822462378 606227701 /nfs/dbraw/zinc/22/77/01/606227701.db2.gz IOESHFBGYJKHFF-MRVPVSSYSA-N -1 1 358.366 -0.889 20 0 FBADMM Cc1nc2n(n1)CCC[C@@H]2Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000822462379 606228129 /nfs/dbraw/zinc/22/81/29/606228129.db2.gz IOESHFBGYJKHFF-QMMMGPOBSA-N -1 1 358.366 -0.889 20 0 FBADMM Cc1nc2ccccc2n1CCNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822463005 607205948 /nfs/dbraw/zinc/20/59/48/607205948.db2.gz MIDKOJIQVKMFDG-UHFFFAOYSA-N -1 1 352.362 -0.067 20 0 FBADMM Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000822463406 606239098 /nfs/dbraw/zinc/23/90/98/606239098.db2.gz QGTQJAQOQOLAPT-LLVKDONJSA-N -1 1 361.391 -0.025 20 0 FBADMM Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822463406 606239096 /nfs/dbraw/zinc/23/90/96/606239096.db2.gz QGTQJAQOQOLAPT-LLVKDONJSA-N -1 1 361.391 -0.025 20 0 FBADMM Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000822463407 606239235 /nfs/dbraw/zinc/23/92/35/606239235.db2.gz QGTQJAQOQOLAPT-NSHDSACASA-N -1 1 361.391 -0.025 20 0 FBADMM Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822463407 606239234 /nfs/dbraw/zinc/23/92/34/606239234.db2.gz QGTQJAQOQOLAPT-NSHDSACASA-N -1 1 361.391 -0.025 20 0 FBADMM Cc1ncc(CN2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)s1 ZINC000822467318 607216389 /nfs/dbraw/zinc/21/63/89/607216389.db2.gz LMPJOSUXMVBDEJ-UHFFFAOYSA-N -1 1 374.434 -0.432 20 0 FBADMM Cc1nccn1C[C@H]1CCCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000822476975 606473060 /nfs/dbraw/zinc/47/30/60/606473060.db2.gz BQCIMTXIFZEPCS-LLVKDONJSA-N -1 1 371.405 -0.562 20 0 FBADMM Cc1nccn1C[C@@H]1CCCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000822476976 606473369 /nfs/dbraw/zinc/47/33/69/606473369.db2.gz BQCIMTXIFZEPCS-NSHDSACASA-N -1 1 371.405 -0.562 20 0 FBADMM Cc1nccn1CCCCNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000822478509 599584009 /nfs/dbraw/zinc/58/40/09/599584009.db2.gz SSVQQWKGDDPMDY-UHFFFAOYSA-N -1 1 359.394 -0.339 20 0 FBADMM Cc1nccn1-c1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cn1 ZINC000822478541 607208378 /nfs/dbraw/zinc/20/83/78/607208378.db2.gz UBKQGQFNEVAUMS-UHFFFAOYSA-N -1 1 351.334 -0.014 20 0 FBADMM Cc1nccn1-c1ncccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822478969 607208818 /nfs/dbraw/zinc/20/88/18/607208818.db2.gz WRVPBEJBNQXAMU-UHFFFAOYSA-N -1 1 351.334 -0.014 20 0 FBADMM Cc1nn(C)c(C)c1C[C@@H](C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000822491861 599047004 /nfs/dbraw/zinc/04/70/04/599047004.db2.gz HOHPBJLSSYCBHI-MRVPVSSYSA-N -1 1 373.421 -0.342 20 0 FBADMM Cc1nn(C)c(C)c1C[C@H](C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000822491862 599046484 /nfs/dbraw/zinc/04/64/84/599046484.db2.gz HOHPBJLSSYCBHI-QMMMGPOBSA-N -1 1 373.421 -0.342 20 0 FBADMM Cc1nn(C)cc1[C@H]1CCCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000822496436 607047992 /nfs/dbraw/zinc/04/79/92/607047992.db2.gz MYDQGIDVJHHDJS-LLVKDONJSA-N -1 1 371.405 -0.352 20 0 FBADMM Cc1nn(C)cc1[C@@H]1CCCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000822496437 607048134 /nfs/dbraw/zinc/04/81/34/607048134.db2.gz MYDQGIDVJHHDJS-NSHDSACASA-N -1 1 371.405 -0.352 20 0 FBADMM Cc1nn(C[C@@H]2CCCN(S(C)(=O)=O)C2)c(=O)c(-c2nn[n-]n2)c1C ZINC000822500825 606638201 /nfs/dbraw/zinc/63/82/01/606638201.db2.gz IKKHZAUBTISVDQ-LLVKDONJSA-N -1 1 367.435 -0.288 20 0 FBADMM Cc1nn(C[C@H]2CCCN(S(C)(=O)=O)C2)c(=O)c(-c2nn[n-]n2)c1C ZINC000822500826 606638115 /nfs/dbraw/zinc/63/81/15/606638115.db2.gz IKKHZAUBTISVDQ-NSHDSACASA-N -1 1 367.435 -0.288 20 0 FBADMM Cc1nnc2c(N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)nccn12 ZINC000822514124 606444131 /nfs/dbraw/zinc/44/41/31/606444131.db2.gz CCTBZFLRMNGGOD-UHFFFAOYSA-N -1 1 354.382 -0.013 20 0 FBADMM Cc1nnc2c(N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)nccn12 ZINC000822514124 606444129 /nfs/dbraw/zinc/44/41/29/606444129.db2.gz CCTBZFLRMNGGOD-UHFFFAOYSA-N -1 1 354.382 -0.013 20 0 FBADMM Cc1nnc2cc(N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)ncn12 ZINC000822514250 606969717 /nfs/dbraw/zinc/96/97/17/606969717.db2.gz DILNVILNYDQBSC-UHFFFAOYSA-N -1 1 354.382 -0.013 20 0 FBADMM Cc1nnc2cc(N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)ncn12 ZINC000822514250 606969715 /nfs/dbraw/zinc/96/97/15/606969715.db2.gz DILNVILNYDQBSC-UHFFFAOYSA-N -1 1 354.382 -0.013 20 0 FBADMM Cc1nnnn1-c1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)ccc1F ZINC000822519491 607213948 /nfs/dbraw/zinc/21/39/48/607213948.db2.gz HVADNYCAJJNTQI-UHFFFAOYSA-N -1 1 370.312 -0.480 20 0 FBADMM Cc1nnnn1-c1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000822520360 607208357 /nfs/dbraw/zinc/20/83/57/607208357.db2.gz ZMOAOLLJQOVTAP-UHFFFAOYSA-N -1 1 352.322 -0.619 20 0 FBADMM Cc1nnnn1-c1ccc(F)c(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000822520369 607157759 /nfs/dbraw/zinc/15/77/59/607157759.db2.gz ZZSTWQJLYBJITP-UHFFFAOYSA-N -1 1 370.312 -0.480 20 0 FBADMM Cc1nonc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822530807 606831056 /nfs/dbraw/zinc/83/10/56/606831056.db2.gz PDVGSSUJRIUXAZ-MRVPVSSYSA-N -1 1 356.350 -0.301 20 0 FBADMM Cc1nonc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822530807 606831053 /nfs/dbraw/zinc/83/10/53/606831053.db2.gz PDVGSSUJRIUXAZ-MRVPVSSYSA-N -1 1 356.350 -0.301 20 0 FBADMM Cc1nonc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822530810 606831172 /nfs/dbraw/zinc/83/11/72/606831172.db2.gz PDVGSSUJRIUXAZ-QMMMGPOBSA-N -1 1 356.350 -0.301 20 0 FBADMM Cc1nonc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822530810 606831171 /nfs/dbraw/zinc/83/11/71/606831171.db2.gz PDVGSSUJRIUXAZ-QMMMGPOBSA-N -1 1 356.350 -0.301 20 0 FBADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC(=O)NCCO ZINC000822535033 607319562 /nfs/dbraw/zinc/31/95/62/607319562.db2.gz FGFMDRWJUGVJSB-UHFFFAOYSA-N -1 1 359.346 -0.603 20 0 FBADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC(=O)NCCO ZINC000822535033 607319561 /nfs/dbraw/zinc/31/95/61/607319561.db2.gz FGFMDRWJUGVJSB-UHFFFAOYSA-N -1 1 359.346 -0.603 20 0 FBADMM Cc1oc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1S(=O)(=O)N(C)C ZINC000822540820 606633184 /nfs/dbraw/zinc/63/31/84/606633184.db2.gz HEHHFXLEADMICM-UHFFFAOYSA-N -1 1 366.363 -0.514 20 0 FBADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCOCC(N)=O ZINC000822541011 607324877 /nfs/dbraw/zinc/32/48/77/607324877.db2.gz KNRWWBSSHUYHML-UHFFFAOYSA-N -1 1 359.346 -0.209 20 0 FBADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCOCC(N)=O ZINC000822541011 607324876 /nfs/dbraw/zinc/32/48/76/607324876.db2.gz KNRWWBSSHUYHML-UHFFFAOYSA-N -1 1 359.346 -0.209 20 0 FBADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCC(=O)NC(N)=O ZINC000822541262 606913364 /nfs/dbraw/zinc/91/33/64/606913364.db2.gz MKKQEFOTWIVNON-UHFFFAOYSA-N -1 1 372.345 -0.126 20 0 FBADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCC(=O)NC(N)=O ZINC000822541262 606913363 /nfs/dbraw/zinc/91/33/63/606913363.db2.gz MKKQEFOTWIVNON-UHFFFAOYSA-N -1 1 372.345 -0.126 20 0 FBADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCn1ncnn1 ZINC000822542551 607357463 /nfs/dbraw/zinc/35/74/63/607357463.db2.gz ZFGXRZVGDUGJEB-UHFFFAOYSA-N -1 1 354.334 -0.025 20 0 FBADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCn1ncnn1 ZINC000822542551 607357461 /nfs/dbraw/zinc/35/74/61/607357461.db2.gz ZFGXRZVGDUGJEB-UHFFFAOYSA-N -1 1 354.334 -0.025 20 0 FBADMM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000822547755 606606725 /nfs/dbraw/zinc/60/67/25/606606725.db2.gz CMBILIADEPUNOY-UHFFFAOYSA-N -1 1 366.363 -0.514 20 0 FBADMM Cc1oc(NC(=O)CN2CC[C@@H](S(N)(=O)=O)C2)c(-c2nn[n-]n2)c1C ZINC000822548151 607236752 /nfs/dbraw/zinc/23/67/52/607236752.db2.gz GHCYGXLYCSXQPL-SECBINFHSA-N -1 1 369.407 -0.622 20 0 FBADMM Cc1oc(NC(=O)CN2CC[C@H](S(N)(=O)=O)C2)c(-c2nn[n-]n2)c1C ZINC000822548152 607236933 /nfs/dbraw/zinc/23/69/33/607236933.db2.gz GHCYGXLYCSXQPL-VIFPVBQESA-N -1 1 369.407 -0.622 20 0 FBADMM Cc1oc(NC(=O)CN2CCN3C(=O)NC[C@H]3C2)c(-c2nn[n-]n2)c1C ZINC000822549231 606523235 /nfs/dbraw/zinc/52/32/35/606523235.db2.gz WKRGIVFUEGDZKQ-JTQLQIEISA-N -1 1 360.378 -0.276 20 0 FBADMM Cc1oc(NC(=O)CN2CCN3C(=O)NC[C@@H]3C2)c(-c2nn[n-]n2)c1C ZINC000822549232 606522885 /nfs/dbraw/zinc/52/28/85/606522885.db2.gz WKRGIVFUEGDZKQ-SNVBAGLBSA-N -1 1 360.378 -0.276 20 0 FBADMM Cc1oc(NC(=O)CN2CCN3C(=O)NC(=O)[C@H]3C2)c(-c2nn[n-]n2)c1C ZINC000822549384 606395564 /nfs/dbraw/zinc/39/55/64/606395564.db2.gz YDLZAIIGBDHLDR-SECBINFHSA-N -1 1 374.361 -0.749 20 0 FBADMM Cc1oc(NC(=O)CN2CCN3C(=O)NC(=O)[C@@H]3C2)c(-c2nn[n-]n2)c1C ZINC000822549385 606395550 /nfs/dbraw/zinc/39/55/50/606395550.db2.gz YDLZAIIGBDHLDR-VIFPVBQESA-N -1 1 374.361 -0.749 20 0 FBADMM Cn1c(CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)nc2cc(F)ccc21 ZINC000822595713 607215219 /nfs/dbraw/zinc/21/52/19/607215219.db2.gz BXSUXGOZKPIKBD-UHFFFAOYSA-N -1 1 370.352 -0.157 20 0 FBADMM Cn1c(CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)nc2ccc(F)cc21 ZINC000822596090 607216338 /nfs/dbraw/zinc/21/63/38/607216338.db2.gz GZMCXEFXHZSGCJ-UHFFFAOYSA-N -1 1 370.352 -0.157 20 0 FBADMM Cn1c(CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)nc2c1cccc2F ZINC000822596446 607216248 /nfs/dbraw/zinc/21/62/48/607216248.db2.gz JWFZXIQWBXXYPZ-UHFFFAOYSA-N -1 1 370.352 -0.157 20 0 FBADMM Cn1c(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)nc2cc(F)ccc21 ZINC000822596902 607216335 /nfs/dbraw/zinc/21/63/35/607216335.db2.gz YLFFXMSONJJUOW-UHFFFAOYSA-N -1 1 356.325 -0.200 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCC(=O)OC(C)(C)C)n(C)c1=O ZINC000822599127 599573613 /nfs/dbraw/zinc/57/36/13/599573613.db2.gz ACLHLFXMDGUDNJ-UHFFFAOYSA-N -1 1 351.367 -0.592 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCOC3(CCCCC3)C2)n(C)c1=O ZINC000822599132 599055262 /nfs/dbraw/zinc/05/52/62/599055262.db2.gz AGQFYZYJDLAAPK-UHFFFAOYSA-N -1 1 361.406 -0.196 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)n(C)c1=O ZINC000822599166 599044915 /nfs/dbraw/zinc/04/49/15/599044915.db2.gz BAGQUUGAMHANAY-FBIMIBRVSA-N -1 1 361.406 -0.120 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)n(C)c1=O ZINC000822599168 599045102 /nfs/dbraw/zinc/04/51/02/599045102.db2.gz BAGQUUGAMHANAY-GDPRMGEGSA-N -1 1 361.406 -0.120 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)n(C)c1=O ZINC000822599170 599044560 /nfs/dbraw/zinc/04/45/60/599044560.db2.gz BAGQUUGAMHANAY-IEBDPFPHSA-N -1 1 361.406 -0.120 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)n(C)c1=O ZINC000822599171 599044907 /nfs/dbraw/zinc/04/49/07/599044907.db2.gz BAGQUUGAMHANAY-JMJZKYOTSA-N -1 1 361.406 -0.120 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC(=O)OC2CCCCC2)n(C)c1=O ZINC000822599179 606423026 /nfs/dbraw/zinc/42/30/26/606423026.db2.gz BCTHPVXUJAYVQR-UHFFFAOYSA-N -1 1 363.378 -0.448 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N(CCO)CCc2ccccc2)n(C)c1=O ZINC000822599189 599058336 /nfs/dbraw/zinc/05/83/36/599058336.db2.gz BHOSCRPAHZGEGI-UHFFFAOYSA-N -1 1 371.401 -0.695 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCOC[C@@H]2c2ccccc2)n(C)c1=O ZINC000822599290 606476508 /nfs/dbraw/zinc/47/65/08/606476508.db2.gz CHBNWDHHEBEKNQ-GFCCVEGCSA-N -1 1 369.385 -0.158 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCOC[C@H]2c2ccccc2)n(C)c1=O ZINC000822599296 606476454 /nfs/dbraw/zinc/47/64/54/606476454.db2.gz CHBNWDHHEBEKNQ-LBPRGKRZSA-N -1 1 369.385 -0.158 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCOCc2ccccc2)n(C)c1=O ZINC000822599323 606142234 /nfs/dbraw/zinc/14/22/34/606142234.db2.gz DDVOHJNOWVQYRR-UHFFFAOYSA-N -1 1 357.374 -0.107 20 0 FBADMM Cn1cnc2cc(Nc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)ccc21 ZINC000822599529 599358406 /nfs/dbraw/zinc/35/84/06/599358406.db2.gz DIIYDRXDLRIBHF-UHFFFAOYSA-N -1 1 353.346 -0.106 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@H](c3ccco3)C2)n(C)c1=O ZINC000822599534 606633663 /nfs/dbraw/zinc/63/36/63/606633663.db2.gz DLYSXDRZRBGYCQ-JTQLQIEISA-N -1 1 359.346 -0.565 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@@H](c3ccco3)C2)n(C)c1=O ZINC000822599535 606633524 /nfs/dbraw/zinc/63/35/24/606633524.db2.gz DLYSXDRZRBGYCQ-SNVBAGLBSA-N -1 1 359.346 -0.565 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@H](Oc3cccnc3)C2)n(C)c1=O ZINC000822599543 606790131 /nfs/dbraw/zinc/79/01/31/606790131.db2.gz DTWPSFBXDGMQGD-LLVKDONJSA-N -1 1 370.373 -0.683 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@H](Oc3cccnc3)C2)n(C)c1=O ZINC000822599544 606790072 /nfs/dbraw/zinc/79/00/72/606790072.db2.gz DTWPSFBXDGMQGD-NSHDSACASA-N -1 1 370.373 -0.683 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCCC(=O)OC(C)(C)C)n(C)c1=O ZINC000822599567 599689326 /nfs/dbraw/zinc/68/93/26/599689326.db2.gz FSUKXELMHLWGLW-UHFFFAOYSA-N -1 1 365.394 -0.202 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCCOC2CCOCC2)n(C)c1=O ZINC000822599628 599584057 /nfs/dbraw/zinc/58/40/57/599584057.db2.gz GLRLXOHXAYXQRI-UHFFFAOYSA-N -1 1 365.394 -0.738 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2ccc3c(c2)COC3)n(C)c1=O ZINC000822599700 607305661 /nfs/dbraw/zinc/30/56/61/607305661.db2.gz GYTUVAAPGWPSEY-UHFFFAOYSA-N -1 1 355.358 -0.094 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2c3ccccc3C[C@@H]2O)n(C)c1=O ZINC000822599735 606136972 /nfs/dbraw/zinc/13/69/72/606136972.db2.gz HHZIHELBZXHGGC-CMPLNLGQSA-N -1 1 355.358 -0.666 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2c3ccccc3C[C@@H]2O)n(C)c1=O ZINC000822599741 606137156 /nfs/dbraw/zinc/13/71/56/606137156.db2.gz HHZIHELBZXHGGC-JQWIXIFHSA-N -1 1 355.358 -0.666 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2c3ccccc3C[C@H]2O)n(C)c1=O ZINC000822599746 606136858 /nfs/dbraw/zinc/13/68/58/606136858.db2.gz HHZIHELBZXHGGC-ZYHUDNBSSA-N -1 1 355.358 -0.666 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCc3ccc(F)cc3C2)n(C)c1=O ZINC000822599934 607331896 /nfs/dbraw/zinc/33/18/96/607331896.db2.gz HZVBUGUNLKFSFT-UHFFFAOYSA-N -1 1 357.349 -0.034 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCc3ccc(O)cc3C2)n(C)c1=O ZINC000822599957 607329054 /nfs/dbraw/zinc/32/90/54/607329054.db2.gz IBQYSHFUSAQYES-UHFFFAOYSA-N -1 1 355.358 -0.468 20 0 FBADMM Cn1c(N[C@H]2CCCCC[C@H]2C(N)=O)c(-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000822599982 607493659 /nfs/dbraw/zinc/49/36/59/607493659.db2.gz IDXOJKMCIMNBCR-BDAKNGLRSA-N -1 1 362.394 -0.890 20 0 FBADMM Cn1c(N[C@@H]2CCCCC[C@@H]2C(N)=O)c(-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000822599983 607493475 /nfs/dbraw/zinc/49/34/75/607493475.db2.gz IDXOJKMCIMNBCR-DTWKUNHWSA-N -1 1 362.394 -0.890 20 0 FBADMM Cn1c(N[C@H]2CCCCC[C@@H]2C(N)=O)c(-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000822599985 607493332 /nfs/dbraw/zinc/49/33/32/607493332.db2.gz IDXOJKMCIMNBCR-IUCAKERBSA-N -1 1 362.394 -0.890 20 0 FBADMM Cn1c(N[C@@H]2CCCCC[C@H]2C(N)=O)c(-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000822599987 607493128 /nfs/dbraw/zinc/49/31/28/607493128.db2.gz IDXOJKMCIMNBCR-RKDXNWHRSA-N -1 1 362.394 -0.890 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(OCC3CC3)CC2)n(C)c1=O ZINC000822600005 599358599 /nfs/dbraw/zinc/35/85/99/599358599.db2.gz IIBQTUBAJSBEGD-UHFFFAOYSA-N -1 1 361.406 -0.341 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2cccc(-n3ccnn3)c2)n(C)c1=O ZINC000822600069 607133110 /nfs/dbraw/zinc/13/31/10/607133110.db2.gz JJQPTUNBWCSECS-UHFFFAOYSA-N -1 1 366.345 -0.412 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(c3c[nH]cn3)CC2)n(C)c1=O ZINC000822600100 606227929 /nfs/dbraw/zinc/22/79/29/606227929.db2.gz JSGRCIPZMYUTQC-UHFFFAOYSA-N -1 1 357.378 -0.629 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N(CCCO)Cc2ccccc2)n(C)c1=O ZINC000822600119 607128814 /nfs/dbraw/zinc/12/88/14/607128814.db2.gz KLWYCWOBKCVPSA-UHFFFAOYSA-N -1 1 371.401 -0.347 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCOC[C@@H]2c2ccco2)n(C)c1=O ZINC000822600330 606476393 /nfs/dbraw/zinc/47/63/93/606476393.db2.gz LQHBZHUFXBKPIY-SECBINFHSA-N -1 1 359.346 -0.565 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCOC[C@H]2c2ccco2)n(C)c1=O ZINC000822600332 606476427 /nfs/dbraw/zinc/47/64/27/606476427.db2.gz LQHBZHUFXBKPIY-VIFPVBQESA-N -1 1 359.346 -0.565 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H](CO)c2ccccc2)n(C)c1=O ZINC000822600364 606480051 /nfs/dbraw/zinc/48/00/51/606480051.db2.gz MFNLIICADPAYRI-LLVKDONJSA-N -1 1 357.374 -0.548 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H](CO)c2ccccc2)n(C)c1=O ZINC000822600365 606480073 /nfs/dbraw/zinc/48/00/73/606480073.db2.gz MFNLIICADPAYRI-NSHDSACASA-N -1 1 357.374 -0.548 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@H](Oc3ccccn3)C2)n(C)c1=O ZINC000822600397 606878376 /nfs/dbraw/zinc/87/83/76/606878376.db2.gz NDWRUTBPXKJNSO-JTQLQIEISA-N -1 1 370.373 -0.683 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@H](Oc3ccccn3)C2)n(C)c1=O ZINC000822600398 606878431 /nfs/dbraw/zinc/87/84/31/606878431.db2.gz NDWRUTBPXKJNSO-SNVBAGLBSA-N -1 1 370.373 -0.683 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCCC[C@@H]2c2ncc[nH]2)n(C)c1=O ZINC000822600423 606481156 /nfs/dbraw/zinc/48/11/56/606481156.db2.gz NZOVUQUPWMLHJX-SECBINFHSA-N -1 1 357.378 -0.281 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCCC[C@H]2c2ncc[nH]2)n(C)c1=O ZINC000822600424 606481012 /nfs/dbraw/zinc/48/10/12/606481012.db2.gz NZOVUQUPWMLHJX-VIFPVBQESA-N -1 1 357.378 -0.281 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H]2CSCCS2)n(C)c1=O ZINC000822600673 606637515 /nfs/dbraw/zinc/63/75/15/606637515.db2.gz PGWLPSPRSIKHJD-SSDOTTSWSA-N -1 1 355.449 -0.475 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H]2CSCCS2)n(C)c1=O ZINC000822600674 606637404 /nfs/dbraw/zinc/63/74/04/606637404.db2.gz PGWLPSPRSIKHJD-ZETCQYMHSA-N -1 1 355.449 -0.475 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@]3(O)CCCC[C@@H]3C2)n(C)c1=O ZINC000822600708 607032542 /nfs/dbraw/zinc/03/25/42/607032542.db2.gz QEJNNXZBDTYYTI-HWPZZCPQSA-N -1 1 361.406 -0.605 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@]3(O)CCCC[C@H]3C2)n(C)c1=O ZINC000822600709 607032537 /nfs/dbraw/zinc/03/25/37/607032537.db2.gz QEJNNXZBDTYYTI-MGPLVRAMSA-N -1 1 361.406 -0.605 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@]3(O)CCCC[C@H]3C2)n(C)c1=O ZINC000822600710 607032585 /nfs/dbraw/zinc/03/25/85/607032585.db2.gz QEJNNXZBDTYYTI-QFYYESIMSA-N -1 1 361.406 -0.605 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@]3(O)CCCC[C@@H]3C2)n(C)c1=O ZINC000822600711 607032834 /nfs/dbraw/zinc/03/28/34/607032834.db2.gz QEJNNXZBDTYYTI-QLJPJBMISA-N -1 1 361.406 -0.605 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2ccn3ccnc3c2)n(C)c1=O ZINC000822600988 606793476 /nfs/dbraw/zinc/79/34/76/606793476.db2.gz SAMRHTRDDQSAIB-UHFFFAOYSA-N -1 1 353.346 -0.476 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCc2ccc(Cl)nc2)n(C)c1=O ZINC000822601093 606721992 /nfs/dbraw/zinc/72/19/92/606721992.db2.gz TUSCAXQVMJIBLA-UHFFFAOYSA-N -1 1 362.781 -0.033 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CC(=O)N(C(C)(C)C)C2)n(C)c1=O ZINC000822601164 606421577 /nfs/dbraw/zinc/42/15/77/606421577.db2.gz UNMMPOZPXWOUKL-MRVPVSSYSA-N -1 1 362.394 -0.925 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CC(=O)N(C(C)(C)C)C2)n(C)c1=O ZINC000822601166 606421667 /nfs/dbraw/zinc/42/16/67/606421667.db2.gz UNMMPOZPXWOUKL-QMMMGPOBSA-N -1 1 362.394 -0.925 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCCC3(CCOCC3)C2)n(C)c1=O ZINC000822601289 599045075 /nfs/dbraw/zinc/04/50/75/599045075.db2.gz XGERJYOZFWEQCK-UHFFFAOYSA-N -1 1 361.406 -0.339 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@]3(CCCOC3)C2)n(C)c1=O ZINC000822601345 606142413 /nfs/dbraw/zinc/14/24/13/606142413.db2.gz XYMSDVUJMDPOAU-INIZCTEOSA-N -1 1 361.406 -0.339 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@]3(CCCOC3)C2)n(C)c1=O ZINC000822601347 606142546 /nfs/dbraw/zinc/14/25/46/606142546.db2.gz XYMSDVUJMDPOAU-MRXNPFEDSA-N -1 1 361.406 -0.339 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC[C@@H](O)c2ccccc2)n(C)c1=O ZINC000822601396 599086397 /nfs/dbraw/zinc/08/63/97/599086397.db2.gz YRWQZXULMUGPQZ-LLVKDONJSA-N -1 1 357.374 -0.200 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC[C@H](O)c2ccccc2)n(C)c1=O ZINC000822601397 599086274 /nfs/dbraw/zinc/08/62/74/599086274.db2.gz YRWQZXULMUGPQZ-NSHDSACASA-N -1 1 357.374 -0.200 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2ccn(CC(F)F)n2)n(C)c1=O ZINC000822601406 606403379 /nfs/dbraw/zinc/40/33/79/606403379.db2.gz ZAZDOFFRZGISHQ-UHFFFAOYSA-N -1 1 353.293 -0.531 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCCC[C@H]2c2cn[nH]c2)n(C)c1=O ZINC000822601421 606480969 /nfs/dbraw/zinc/48/09/69/606480969.db2.gz ZKBZKJSARHBFRG-JTQLQIEISA-N -1 1 357.378 -0.281 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCCC[C@@H]2c2cn[nH]c2)n(C)c1=O ZINC000822601422 606481074 /nfs/dbraw/zinc/48/10/74/606481074.db2.gz ZKBZKJSARHBFRG-SNVBAGLBSA-N -1 1 357.378 -0.281 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCN(c3cccs3)CC2)n(C)c1=O ZINC000822601423 606876091 /nfs/dbraw/zinc/87/60/91/606876091.db2.gz ZLKYRJHUCXSKIF-UHFFFAOYSA-N -1 1 374.430 -0.348 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(C[C@H](O)COCc2ccccc2)c1=O ZINC000822604570 606633181 /nfs/dbraw/zinc/63/31/81/606633181.db2.gz HMBHHNUENPHUCM-LBPRGKRZSA-N -1 1 358.358 -0.695 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(c3cccnn3)CC2)n1 ZINC000822608209 606167038 /nfs/dbraw/zinc/16/70/38/606167038.db2.gz ARDDBTXULUZEET-UHFFFAOYSA-N -1 1 355.366 -0.256 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(c3cccnn3)CC2)n1 ZINC000822608209 606167037 /nfs/dbraw/zinc/16/70/37/606167037.db2.gz ARDDBTXULUZEET-UHFFFAOYSA-N -1 1 355.366 -0.256 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)n1 ZINC000822608215 606162476 /nfs/dbraw/zinc/16/24/76/606162476.db2.gz BCFYPDMFQSLJSF-UHFFFAOYSA-N -1 1 369.411 -0.901 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)n1 ZINC000822608215 606162474 /nfs/dbraw/zinc/16/24/74/606162474.db2.gz BCFYPDMFQSLJSF-UHFFFAOYSA-N -1 1 369.411 -0.901 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCO[C@H](Cn3cccn3)C2)n1 ZINC000822608683 606155796 /nfs/dbraw/zinc/15/57/96/606155796.db2.gz GYCHKJOFSCRVNC-JTQLQIEISA-N -1 1 358.366 -0.270 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCO[C@H](Cn3cccn3)C2)n1 ZINC000822608683 606155794 /nfs/dbraw/zinc/15/57/94/606155794.db2.gz GYCHKJOFSCRVNC-JTQLQIEISA-N -1 1 358.366 -0.270 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)n1 ZINC000822608684 606155710 /nfs/dbraw/zinc/15/57/10/606155710.db2.gz GYCHKJOFSCRVNC-SNVBAGLBSA-N -1 1 358.366 -0.270 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)n1 ZINC000822608684 606155708 /nfs/dbraw/zinc/15/57/08/606155708.db2.gz GYCHKJOFSCRVNC-SNVBAGLBSA-N -1 1 358.366 -0.270 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(CC(=O)NC3CC3)CC2)n1 ZINC000822609077 606165916 /nfs/dbraw/zinc/16/59/16/606165916.db2.gz JCMRUXIDJLANGA-UHFFFAOYSA-N -1 1 374.409 -0.972 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(CC(=O)NC3CC3)CC2)n1 ZINC000822609077 606165915 /nfs/dbraw/zinc/16/59/15/606165915.db2.gz JCMRUXIDJLANGA-UHFFFAOYSA-N -1 1 374.409 -0.972 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000822609084 661091136 /nfs/dbraw/zinc/09/11/36/661091136.db2.gz JGFLYGFWBBLJGI-MRVPVSSYSA-N -1 1 369.411 -0.854 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000822609084 661091133 /nfs/dbraw/zinc/09/11/33/661091133.db2.gz JGFLYGFWBBLJGI-MRVPVSSYSA-N -1 1 369.411 -0.854 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)n1 ZINC000822609085 661091046 /nfs/dbraw/zinc/09/10/46/661091046.db2.gz JGFLYGFWBBLJGI-QMMMGPOBSA-N -1 1 369.411 -0.854 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)n1 ZINC000822609085 661091042 /nfs/dbraw/zinc/09/10/42/661091042.db2.gz JGFLYGFWBBLJGI-QMMMGPOBSA-N -1 1 369.411 -0.854 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](CC(N)=O)C2CCOCC2)n1 ZINC000822609110 606771884 /nfs/dbraw/zinc/77/18/84/606771884.db2.gz JXFSYWARBKHKIU-JTQLQIEISA-N -1 1 363.382 -0.608 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](CC(N)=O)C2CCOCC2)n1 ZINC000822609110 606771882 /nfs/dbraw/zinc/77/18/82/606771882.db2.gz JXFSYWARBKHKIU-JTQLQIEISA-N -1 1 363.382 -0.608 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](CC(N)=O)C2CCOCC2)n1 ZINC000822609111 606772075 /nfs/dbraw/zinc/77/20/75/606772075.db2.gz JXFSYWARBKHKIU-SNVBAGLBSA-N -1 1 363.382 -0.608 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](CC(N)=O)C2CCOCC2)n1 ZINC000822609111 606772074 /nfs/dbraw/zinc/77/20/74/606772074.db2.gz JXFSYWARBKHKIU-SNVBAGLBSA-N -1 1 363.382 -0.608 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(N3CCNC3=O)CC2)n1 ZINC000822609491 606163133 /nfs/dbraw/zinc/16/31/33/606163133.db2.gz OAVJSGKPHLIQJB-UHFFFAOYSA-N -1 1 360.382 -0.378 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(N3CCNC3=O)CC2)n1 ZINC000822609491 606163131 /nfs/dbraw/zinc/16/31/31/606163131.db2.gz OAVJSGKPHLIQJB-UHFFFAOYSA-N -1 1 360.382 -0.378 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(C(=O)N3CCCC3)CC2)n1 ZINC000822609656 606160300 /nfs/dbraw/zinc/16/03/00/606160300.db2.gz TZUGEHCVNFNDOR-UHFFFAOYSA-N -1 1 374.409 -0.035 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(C(=O)N3CCCC3)CC2)n1 ZINC000822609656 606160298 /nfs/dbraw/zinc/16/02/98/606160298.db2.gz TZUGEHCVNFNDOR-UHFFFAOYSA-N -1 1 374.409 -0.035 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCO[C@@H](Cn3cncn3)C2)n1 ZINC000822609808 606164539 /nfs/dbraw/zinc/16/45/39/606164539.db2.gz VSMMEYLHKAEKAG-SECBINFHSA-N -1 1 359.354 -0.875 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCO[C@@H](Cn3cncn3)C2)n1 ZINC000822609808 606164537 /nfs/dbraw/zinc/16/45/37/606164537.db2.gz VSMMEYLHKAEKAG-SECBINFHSA-N -1 1 359.354 -0.875 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCO[C@H](Cn3cncn3)C2)n1 ZINC000822609809 606164549 /nfs/dbraw/zinc/16/45/49/606164549.db2.gz VSMMEYLHKAEKAG-VIFPVBQESA-N -1 1 359.354 -0.875 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCO[C@H](Cn3cncn3)C2)n1 ZINC000822609809 606164548 /nfs/dbraw/zinc/16/45/48/606164548.db2.gz VSMMEYLHKAEKAG-VIFPVBQESA-N -1 1 359.354 -0.875 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(C(C)(C)C(N)=O)CC2)n1 ZINC000822609853 606194857 /nfs/dbraw/zinc/19/48/57/606194857.db2.gz XDVPOVCOQUYOFC-UHFFFAOYSA-N -1 1 362.398 -0.986 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(C(C)(C)C(N)=O)CC2)n1 ZINC000822609853 606194856 /nfs/dbraw/zinc/19/48/56/606194856.db2.gz XDVPOVCOQUYOFC-UHFFFAOYSA-N -1 1 362.398 -0.986 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCS(=O)(=O)C(C)(C)C2)n1 ZINC000822609871 606836915 /nfs/dbraw/zinc/83/69/15/606836915.db2.gz XPFSJESAJOYMEV-UHFFFAOYSA-N -1 1 354.396 -0.359 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCS(=O)(=O)C(C)(C)C2)n1 ZINC000822609871 606836913 /nfs/dbraw/zinc/83/69/13/606836913.db2.gz XPFSJESAJOYMEV-UHFFFAOYSA-N -1 1 354.396 -0.359 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCc3nn(C)c(=O)cc3C2)n1 ZINC000822609993 606163167 /nfs/dbraw/zinc/16/31/67/606163167.db2.gz YKZXSFWRYRSKDP-UHFFFAOYSA-N -1 1 356.350 -0.716 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCc3nn(C)c(=O)cc3C2)n1 ZINC000822609993 606163165 /nfs/dbraw/zinc/16/31/65/606163165.db2.gz YKZXSFWRYRSKDP-UHFFFAOYSA-N -1 1 356.350 -0.716 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC(C)(C)CCS(C)(=O)=O)n1 ZINC000822609995 606835231 /nfs/dbraw/zinc/83/52/31/606835231.db2.gz YLZRCSDRNJETRH-UHFFFAOYSA-N -1 1 356.412 -0.065 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC(C)(C)CCS(C)(=O)=O)n1 ZINC000822609995 606835230 /nfs/dbraw/zinc/83/52/30/606835230.db2.gz YLZRCSDRNJETRH-UHFFFAOYSA-N -1 1 356.412 -0.065 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(c3ncccn3)CC2)n1 ZINC000822610008 606163160 /nfs/dbraw/zinc/16/31/60/606163160.db2.gz YXEVUNFLMQNKLR-UHFFFAOYSA-N -1 1 355.366 -0.256 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(c3ncccn3)CC2)n1 ZINC000822610008 606163157 /nfs/dbraw/zinc/16/31/57/606163157.db2.gz YXEVUNFLMQNKLR-UHFFFAOYSA-N -1 1 355.366 -0.256 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](Cc2ccccc2)C(N)=O)n1 ZINC000822610044 606161312 /nfs/dbraw/zinc/16/13/12/606161312.db2.gz ZVEHCFDSDXTYLT-LLVKDONJSA-N -1 1 355.362 -0.182 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](Cc2ccccc2)C(N)=O)n1 ZINC000822610044 606161310 /nfs/dbraw/zinc/16/13/10/606161310.db2.gz ZVEHCFDSDXTYLT-LLVKDONJSA-N -1 1 355.362 -0.182 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](Cc2ccccc2)C(N)=O)n1 ZINC000822610045 606161541 /nfs/dbraw/zinc/16/15/41/606161541.db2.gz ZVEHCFDSDXTYLT-NSHDSACASA-N -1 1 355.362 -0.182 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](Cc2ccccc2)C(N)=O)n1 ZINC000822610045 606161540 /nfs/dbraw/zinc/16/15/40/606161540.db2.gz ZVEHCFDSDXTYLT-NSHDSACASA-N -1 1 355.362 -0.182 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC(C)(C)NS(C)(=O)=O)n1 ZINC000822613275 606155457 /nfs/dbraw/zinc/15/54/57/606155457.db2.gz CLRIODKFSMFHGN-UHFFFAOYSA-N -1 1 357.400 -0.951 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC(C)(C)NS(C)(=O)=O)n1 ZINC000822613275 606155456 /nfs/dbraw/zinc/15/54/56/606155456.db2.gz CLRIODKFSMFHGN-UHFFFAOYSA-N -1 1 357.400 -0.951 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000822613631 606596033 /nfs/dbraw/zinc/59/60/33/606596033.db2.gz FFRCPVVPTFWEEZ-MRVPVSSYSA-N -1 1 369.411 -0.854 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000822613631 606596031 /nfs/dbraw/zinc/59/60/31/606596031.db2.gz FFRCPVVPTFWEEZ-MRVPVSSYSA-N -1 1 369.411 -0.854 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000822613633 606596187 /nfs/dbraw/zinc/59/61/87/606596187.db2.gz FFRCPVVPTFWEEZ-QMMMGPOBSA-N -1 1 369.411 -0.854 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000822613633 606596185 /nfs/dbraw/zinc/59/61/85/606596185.db2.gz FFRCPVVPTFWEEZ-QMMMGPOBSA-N -1 1 369.411 -0.854 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC2(CS(C)(=O)=O)CC2)n1 ZINC000822614003 606580050 /nfs/dbraw/zinc/58/00/50/606580050.db2.gz HTPWVLBNNZOZFB-UHFFFAOYSA-N -1 1 354.396 -0.454 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC2(CS(C)(=O)=O)CC2)n1 ZINC000822614003 606580048 /nfs/dbraw/zinc/58/00/48/606580048.db2.gz HTPWVLBNNZOZFB-UHFFFAOYSA-N -1 1 354.396 -0.454 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2CCN(S(C)(=O)=O)CC2)n1 ZINC000822614032 606157835 /nfs/dbraw/zinc/15/78/35/606157835.db2.gz IOMIPNCCLMTCJS-UHFFFAOYSA-N -1 1 369.411 -0.854 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2CCN(S(C)(=O)=O)CC2)n1 ZINC000822614032 606157833 /nfs/dbraw/zinc/15/78/33/606157833.db2.gz IOMIPNCCLMTCJS-UHFFFAOYSA-N -1 1 369.411 -0.854 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC000822614075 606156290 /nfs/dbraw/zinc/15/62/90/606156290.db2.gz KHJYUUQSXJJGAK-SSDOTTSWSA-N -1 1 373.299 -0.115 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC000822614075 606156289 /nfs/dbraw/zinc/15/62/89/606156289.db2.gz KHJYUUQSXJJGAK-SSDOTTSWSA-N -1 1 373.299 -0.115 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC000822614076 606156447 /nfs/dbraw/zinc/15/64/47/606156447.db2.gz KHJYUUQSXJJGAK-ZETCQYMHSA-N -1 1 373.299 -0.115 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC000822614076 606156445 /nfs/dbraw/zinc/15/64/45/606156445.db2.gz KHJYUUQSXJJGAK-ZETCQYMHSA-N -1 1 373.299 -0.115 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)n1 ZINC000822614381 606172542 /nfs/dbraw/zinc/17/25/42/606172542.db2.gz MOEYTIYIZMITPV-JKYUHCHBSA-N -1 1 374.365 -0.900 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)n1 ZINC000822614381 606172540 /nfs/dbraw/zinc/17/25/40/606172540.db2.gz MOEYTIYIZMITPV-JKYUHCHBSA-N -1 1 374.365 -0.900 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)n1 ZINC000822614387 606172392 /nfs/dbraw/zinc/17/23/92/606172392.db2.gz MOEYTIYIZMITPV-NXSYQRQQSA-N -1 1 374.365 -0.900 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)n1 ZINC000822614387 606172391 /nfs/dbraw/zinc/17/23/91/606172391.db2.gz MOEYTIYIZMITPV-NXSYQRQQSA-N -1 1 374.365 -0.900 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)n1 ZINC000822614390 606172371 /nfs/dbraw/zinc/17/23/71/606172371.db2.gz MOEYTIYIZMITPV-UOWDBTKRSA-N -1 1 374.365 -0.900 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)n1 ZINC000822614390 606172370 /nfs/dbraw/zinc/17/23/70/606172370.db2.gz MOEYTIYIZMITPV-UOWDBTKRSA-N -1 1 374.365 -0.900 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)n1 ZINC000822614391 606172501 /nfs/dbraw/zinc/17/25/01/606172501.db2.gz MOEYTIYIZMITPV-WJWGPLDTSA-N -1 1 374.365 -0.900 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)n1 ZINC000822614391 606172499 /nfs/dbraw/zinc/17/24/99/606172499.db2.gz MOEYTIYIZMITPV-WJWGPLDTSA-N -1 1 374.365 -0.900 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCN2CCCS2(=O)=O)n1 ZINC000822614520 606173573 /nfs/dbraw/zinc/17/35/73/606173573.db2.gz NCHVOPCOZHVGQJ-UHFFFAOYSA-N -1 1 369.411 -0.853 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCN2CCCS2(=O)=O)n1 ZINC000822614520 606173572 /nfs/dbraw/zinc/17/35/72/606173572.db2.gz NCHVOPCOZHVGQJ-UHFFFAOYSA-N -1 1 369.411 -0.853 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCNC(=O)c2ccc(O)cc2)n1 ZINC000822614577 606172198 /nfs/dbraw/zinc/17/21/98/606172198.db2.gz NUYYQFZLAIIVBC-UHFFFAOYSA-N -1 1 371.361 -0.143 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCNC(=O)c2ccc(O)cc2)n1 ZINC000822614577 606172195 /nfs/dbraw/zinc/17/21/95/606172195.db2.gz NUYYQFZLAIIVBC-UHFFFAOYSA-N -1 1 371.361 -0.143 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cccc(OCC(N)=O)c2)n1 ZINC000822619601 606173597 /nfs/dbraw/zinc/17/35/97/606173597.db2.gz BIOMWBDAPCQIDL-UHFFFAOYSA-N -1 1 371.361 -0.214 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cccc(OCC(N)=O)c2)n1 ZINC000822619601 606173596 /nfs/dbraw/zinc/17/35/96/606173596.db2.gz BIOMWBDAPCQIDL-UHFFFAOYSA-N -1 1 371.361 -0.214 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(-n3cncn3)nc2)n1 ZINC000822619629 606166344 /nfs/dbraw/zinc/16/63/44/606166344.db2.gz BRENJFPMHZZEBB-UHFFFAOYSA-N -1 1 366.349 -0.102 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(-n3cncn3)nc2)n1 ZINC000822619629 606166341 /nfs/dbraw/zinc/16/63/41/606166341.db2.gz BRENJFPMHZZEBB-UHFFFAOYSA-N -1 1 366.349 -0.102 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCS(=O)(=O)NC(C)(C)C)n1 ZINC000822619677 606164465 /nfs/dbraw/zinc/16/44/65/606164465.db2.gz FHKBKCQCXNNFLT-UHFFFAOYSA-N -1 1 371.427 -0.560 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCS(=O)(=O)NC(C)(C)C)n1 ZINC000822619677 606164463 /nfs/dbraw/zinc/16/44/63/606164463.db2.gz FHKBKCQCXNNFLT-UHFFFAOYSA-N -1 1 371.427 -0.560 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCS(=O)(=O)CC2CC2)n1 ZINC000822619848 607070557 /nfs/dbraw/zinc/07/05/57/607070557.db2.gz ICDPRWGARVKALJ-UHFFFAOYSA-N -1 1 354.396 -0.454 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCS(=O)(=O)CC2CC2)n1 ZINC000822619848 607070555 /nfs/dbraw/zinc/07/05/55/607070555.db2.gz ICDPRWGARVKALJ-UHFFFAOYSA-N -1 1 354.396 -0.454 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2nnnn2-c2ccccc2)n1 ZINC000822620257 606156016 /nfs/dbraw/zinc/15/60/16/606156016.db2.gz ONPFRWMSCFWREE-UHFFFAOYSA-N -1 1 366.349 -0.102 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2nnnn2-c2ccccc2)n1 ZINC000822620257 606156015 /nfs/dbraw/zinc/15/60/15/606156015.db2.gz ONPFRWMSCFWREE-UHFFFAOYSA-N -1 1 366.349 -0.102 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCS(=O)(=O)C(C)(C)C)n1 ZINC000822620259 606161898 /nfs/dbraw/zinc/16/18/98/606161898.db2.gz OPOYSFAWFDLWCG-UHFFFAOYSA-N -1 1 356.412 -0.065 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCS(=O)(=O)C(C)(C)C)n1 ZINC000822620259 606161897 /nfs/dbraw/zinc/16/18/97/606161897.db2.gz OPOYSFAWFDLWCG-UHFFFAOYSA-N -1 1 356.412 -0.065 20 0 FBADMM COC(=O)[C@@H]1CN(C)CCN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1 ZINC000822630215 661091412 /nfs/dbraw/zinc/09/14/12/661091412.db2.gz CPMSHIWJKUAHDQ-CYBMUJFWSA-N -1 1 352.435 -0.062 20 0 FBADMM COC(=O)[C@H]1CN(C)CCN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1 ZINC000822630230 661091269 /nfs/dbraw/zinc/09/12/69/661091269.db2.gz CPMSHIWJKUAHDQ-ZDUSSCGKSA-N -1 1 352.435 -0.062 20 0 FBADMM Cn1cc(C[C@@H]2CCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)C2)cn1 ZINC000822674008 606138277 /nfs/dbraw/zinc/13/82/77/606138277.db2.gz JMINJEULXMFDBV-JTQLQIEISA-N -1 1 371.405 -0.933 20 0 FBADMM Cn1cc(C[C@H]2CCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)C2)cn1 ZINC000822674009 606138283 /nfs/dbraw/zinc/13/82/83/606138283.db2.gz JMINJEULXMFDBV-SNVBAGLBSA-N -1 1 371.405 -0.933 20 0 FBADMM Cn1cc([C@H]2CN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CCO2)cn1 ZINC000822674428 606346254 /nfs/dbraw/zinc/34/62/54/606346254.db2.gz SQXRUYDYMHLRKS-LLVKDONJSA-N -1 1 358.366 -0.061 20 0 FBADMM Cn1cc([C@H]2CN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CCO2)cn1 ZINC000822674428 606346252 /nfs/dbraw/zinc/34/62/52/606346252.db2.gz SQXRUYDYMHLRKS-LLVKDONJSA-N -1 1 358.366 -0.061 20 0 FBADMM Cn1cc([C@@H]2CN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CCO2)cn1 ZINC000822674429 606346605 /nfs/dbraw/zinc/34/66/05/606346605.db2.gz SQXRUYDYMHLRKS-NSHDSACASA-N -1 1 358.366 -0.061 20 0 FBADMM Cn1cc([C@@H]2CN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CCO2)cn1 ZINC000822674429 606346603 /nfs/dbraw/zinc/34/66/03/606346603.db2.gz SQXRUYDYMHLRKS-NSHDSACASA-N -1 1 358.366 -0.061 20 0 FBADMM Cn1cc(C=CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(=O)n(C)c1=O ZINC000822674555 606649622 /nfs/dbraw/zinc/64/96/22/606649622.db2.gz WXYSICQKPOSTAR-ARJAWSKDSA-N -1 1 369.341 -0.584 20 0 FBADMM Cn1cc(C=CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(=O)n(C)c1=O ZINC000822674555 606649621 /nfs/dbraw/zinc/64/96/21/606649621.db2.gz WXYSICQKPOSTAR-ARJAWSKDSA-N -1 1 369.341 -0.584 20 0 FBADMM Cn1cc(C=CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(=O)n(C)c1=O ZINC000822674556 606649640 /nfs/dbraw/zinc/64/96/40/606649640.db2.gz WXYSICQKPOSTAR-ONEGZZNKSA-N -1 1 369.341 -0.584 20 0 FBADMM Cn1cc(C=CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(=O)n(C)c1=O ZINC000822674556 606649639 /nfs/dbraw/zinc/64/96/39/606649639.db2.gz WXYSICQKPOSTAR-ONEGZZNKSA-N -1 1 369.341 -0.584 20 0 FBADMM Cn1cc(CN2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)cn1 ZINC000822679587 606159461 /nfs/dbraw/zinc/15/94/61/606159461.db2.gz HBJHQCBUNZWILS-UHFFFAOYSA-N -1 1 371.409 -0.317 20 0 FBADMM Cn1cc(CN2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)cn1 ZINC000822679587 606159459 /nfs/dbraw/zinc/15/94/59/606159459.db2.gz HBJHQCBUNZWILS-UHFFFAOYSA-N -1 1 371.409 -0.317 20 0 FBADMM Cn1cc(N2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2=O)cn1 ZINC000822679900 606172158 /nfs/dbraw/zinc/17/21/58/606172158.db2.gz JWQZVJKTQVKOAL-UHFFFAOYSA-N -1 1 371.365 -0.786 20 0 FBADMM Cn1cc(N2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2=O)cn1 ZINC000822679900 606172156 /nfs/dbraw/zinc/17/21/56/606172156.db2.gz JWQZVJKTQVKOAL-UHFFFAOYSA-N -1 1 371.365 -0.786 20 0 FBADMM Cn1cc(N2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)cn1 ZINC000822680307 606173549 /nfs/dbraw/zinc/17/35/49/606173549.db2.gz LRTRASBVGYLZCP-UHFFFAOYSA-N -1 1 357.382 -0.312 20 0 FBADMM Cn1cc(N2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)cn1 ZINC000822680307 606173548 /nfs/dbraw/zinc/17/35/48/606173548.db2.gz LRTRASBVGYLZCP-UHFFFAOYSA-N -1 1 357.382 -0.312 20 0 FBADMM Cn1cc(N2CC[C@H](NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2=O)cn1 ZINC000822681287 606159278 /nfs/dbraw/zinc/15/92/78/606159278.db2.gz WIGNOGOWSAEUCG-JTQLQIEISA-N -1 1 371.365 -0.739 20 0 FBADMM Cn1cc(N2CC[C@H](NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2=O)cn1 ZINC000822681287 606159277 /nfs/dbraw/zinc/15/92/77/606159277.db2.gz WIGNOGOWSAEUCG-JTQLQIEISA-N -1 1 371.365 -0.739 20 0 FBADMM Cn1cc(N2CC[C@@H](NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2=O)cn1 ZINC000822681294 606159552 /nfs/dbraw/zinc/15/95/52/606159552.db2.gz WIGNOGOWSAEUCG-SNVBAGLBSA-N -1 1 371.365 -0.739 20 0 FBADMM Cn1cc(N2CC[C@@H](NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2=O)cn1 ZINC000822681294 606159551 /nfs/dbraw/zinc/15/95/51/606159551.db2.gz WIGNOGOWSAEUCG-SNVBAGLBSA-N -1 1 371.365 -0.739 20 0 FBADMM Cn1cc(S(N)(=O)=O)cc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822685273 606296564 /nfs/dbraw/zinc/29/65/64/606296564.db2.gz WJLVOFFXVCKZMM-UHFFFAOYSA-N -1 1 363.359 -0.190 20 0 FBADMM Cn1cc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2=O)cn1 ZINC000822685298 606117458 /nfs/dbraw/zinc/11/74/58/606117458.db2.gz WYOPFOJEZMKKCB-UHFFFAOYSA-N -1 1 353.346 -0.516 20 0 FBADMM Cn1cc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2=O)cn1 ZINC000822685298 606117457 /nfs/dbraw/zinc/11/74/57/606117457.db2.gz WYOPFOJEZMKKCB-UHFFFAOYSA-N -1 1 353.346 -0.516 20 0 FBADMM Cn1cccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1=O ZINC000822689172 599284889 /nfs/dbraw/zinc/28/48/89/599284889.db2.gz GXFBLHKGTVHUNL-UHFFFAOYSA-N -1 1 358.366 -0.375 20 0 FBADMM Cn1ccnc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)c1=O ZINC000822693385 606581342 /nfs/dbraw/zinc/58/13/42/606581342.db2.gz BVBIFBGOOJYBQP-UHFFFAOYSA-N -1 1 372.414 -0.016 20 0 FBADMM Cn1ccnc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)c1=O ZINC000822693385 606581341 /nfs/dbraw/zinc/58/13/41/606581341.db2.gz BVBIFBGOOJYBQP-UHFFFAOYSA-N -1 1 372.414 -0.016 20 0 FBADMM Cn1ccnc1-c1csc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC000822693928 607225330 /nfs/dbraw/zinc/22/53/30/607225330.db2.gz ONOWIVFNXMMTOE-UHFFFAOYSA-N -1 1 357.363 -0.046 20 0 FBADMM Cn1cnnc1-c1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000822704458 607207452 /nfs/dbraw/zinc/20/74/52/607207452.db2.gz LKHVLSWKCHLVKU-UHFFFAOYSA-N -1 1 351.334 -0.108 20 0 FBADMM Cn1ncc2c1ncn(CC(=O)Nc1cc(-c3nn[nH]n3)ccc1[O-])c2=O ZINC000822708855 606197480 /nfs/dbraw/zinc/19/74/80/606197480.db2.gz DIASIGQIRGOJME-UHFFFAOYSA-N -1 1 367.329 -0.346 20 0 FBADMM Cn1ncc2c1nc(NCCCc1[nH]nc(N)c1-c1nn[n-]n1)[nH]c2=O ZINC000822709290 606442249 /nfs/dbraw/zinc/44/22/49/606442249.db2.gz JCAJGZYKHGEZNI-UHFFFAOYSA-N -1 1 356.354 -0.401 20 0 FBADMM Cn1ncc2c1nc(NCCCc1[nH]nc(N)c1-c1nnn[n-]1)[nH]c2=O ZINC000822709290 606442247 /nfs/dbraw/zinc/44/22/47/606442247.db2.gz JCAJGZYKHGEZNI-UHFFFAOYSA-N -1 1 356.354 -0.401 20 0 FBADMM Cn1ncc2c1ncn(CC(=O)OCc1ccnc(-c3nn[n-]n3)c1)c2=O ZINC000822709675 606653684 /nfs/dbraw/zinc/65/36/84/606653684.db2.gz QIMLEFGCLRICLR-UHFFFAOYSA-N -1 1 367.329 -0.552 20 0 FBADMM Cn1ncc2c1ncn(CC(=O)OCc1ccnc(-c3nnn[n-]3)c1)c2=O ZINC000822709675 606653683 /nfs/dbraw/zinc/65/36/83/606653683.db2.gz QIMLEFGCLRICLR-UHFFFAOYSA-N -1 1 367.329 -0.552 20 0 FBADMM Cn1ncc2c1ncn(CC(=O)Nc1ncc(-c3nn[n-]n3)s1)c2=O ZINC000822710142 661091665 /nfs/dbraw/zinc/09/16/65/661091665.db2.gz ZXLQKROZWQAZOU-UHFFFAOYSA-N -1 1 358.347 -0.595 20 0 FBADMM Cn1ncc2c1ncn(CC(=O)Nc1ncc(-c3nnn[n-]3)s1)c2=O ZINC000822710142 661091661 /nfs/dbraw/zinc/09/16/61/661091661.db2.gz ZXLQKROZWQAZOU-UHFFFAOYSA-N -1 1 358.347 -0.595 20 0 FBADMM Cn1nnnc1-c1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000822714774 607205990 /nfs/dbraw/zinc/20/59/90/607205990.db2.gz UCUQAOXXNUQDIF-UHFFFAOYSA-N -1 1 352.322 -0.713 20 0 FBADMM NC(=O)[C@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)Cc1ccc(F)cc1 ZINC000822850912 607210625 /nfs/dbraw/zinc/21/06/25/607210625.db2.gz TURNTLZNKFVEFU-JTQLQIEISA-N -1 1 373.352 -0.942 20 0 FBADMM NC(=O)[C@@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)Cc1ccc(F)cc1 ZINC000822850913 607210541 /nfs/dbraw/zinc/21/05/41/607210541.db2.gz TURNTLZNKFVEFU-SNVBAGLBSA-N -1 1 373.352 -0.942 20 0 FBADMM NC(=O)C1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCCCC1 ZINC000822859234 606736594 /nfs/dbraw/zinc/73/65/94/606736594.db2.gz FXVPIXZZIHYCQQ-UHFFFAOYSA-N -1 1 351.392 -0.272 20 0 FBADMM NC(=O)C1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCCCC1 ZINC000822859234 606736593 /nfs/dbraw/zinc/73/65/93/606736593.db2.gz FXVPIXZZIHYCQQ-UHFFFAOYSA-N -1 1 351.392 -0.272 20 0 FBADMM NC(=O)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000822859273 606845694 /nfs/dbraw/zinc/84/56/94/606845694.db2.gz GEUKUBWIYBANGS-NXEZZACHSA-N -1 1 351.392 -0.416 20 0 FBADMM NC(=O)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822859273 606845693 /nfs/dbraw/zinc/84/56/93/606845693.db2.gz GEUKUBWIYBANGS-NXEZZACHSA-N -1 1 351.392 -0.416 20 0 FBADMM NC(=O)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000822859277 606845703 /nfs/dbraw/zinc/84/57/03/606845703.db2.gz GEUKUBWIYBANGS-UWVGGRQHSA-N -1 1 351.392 -0.416 20 0 FBADMM NC(=O)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822859277 606845702 /nfs/dbraw/zinc/84/57/02/606845702.db2.gz GEUKUBWIYBANGS-UWVGGRQHSA-N -1 1 351.392 -0.416 20 0 FBADMM NC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000822859280 606845746 /nfs/dbraw/zinc/84/57/46/606845746.db2.gz GEUKUBWIYBANGS-VHSXEESVSA-N -1 1 351.392 -0.416 20 0 FBADMM NC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822859280 606845745 /nfs/dbraw/zinc/84/57/45/606845745.db2.gz GEUKUBWIYBANGS-VHSXEESVSA-N -1 1 351.392 -0.416 20 0 FBADMM NC(=O)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000822859282 606845854 /nfs/dbraw/zinc/84/58/54/606845854.db2.gz GEUKUBWIYBANGS-ZJUUUORDSA-N -1 1 351.392 -0.416 20 0 FBADMM NC(=O)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822859282 606845852 /nfs/dbraw/zinc/84/58/52/606845852.db2.gz GEUKUBWIYBANGS-ZJUUUORDSA-N -1 1 351.392 -0.416 20 0 FBADMM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822859422 606139608 /nfs/dbraw/zinc/13/96/08/606139608.db2.gz HBDMIBQLXCTETG-MRVPVSSYSA-N -1 1 364.387 -0.049 20 0 FBADMM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822859422 606139607 /nfs/dbraw/zinc/13/96/07/606139607.db2.gz HBDMIBQLXCTETG-MRVPVSSYSA-N -1 1 364.387 -0.049 20 0 FBADMM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822859426 606139800 /nfs/dbraw/zinc/13/98/00/606139800.db2.gz HBDMIBQLXCTETG-QMMMGPOBSA-N -1 1 364.387 -0.049 20 0 FBADMM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822859426 606139798 /nfs/dbraw/zinc/13/97/98/606139798.db2.gz HBDMIBQLXCTETG-QMMMGPOBSA-N -1 1 364.387 -0.049 20 0 FBADMM NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000822860121 606840835 /nfs/dbraw/zinc/84/08/35/606840835.db2.gz NOKSZZUEDZBDNO-MRVPVSSYSA-N -1 1 354.367 -0.108 20 0 FBADMM NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000822860122 606840937 /nfs/dbraw/zinc/84/09/37/606840937.db2.gz NOKSZZUEDZBDNO-QMMMGPOBSA-N -1 1 354.367 -0.108 20 0 FBADMM NC(=O)[C@@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000822860335 606898296 /nfs/dbraw/zinc/89/82/96/606898296.db2.gz RZLAWPIAKNVDRJ-GHMZBOCLSA-N -1 1 365.419 -0.026 20 0 FBADMM NC(=O)[C@@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822860335 606898293 /nfs/dbraw/zinc/89/82/93/606898293.db2.gz RZLAWPIAKNVDRJ-GHMZBOCLSA-N -1 1 365.419 -0.026 20 0 FBADMM NC(=O)[C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000822860336 606898075 /nfs/dbraw/zinc/89/80/75/606898075.db2.gz RZLAWPIAKNVDRJ-MNOVXSKESA-N -1 1 365.419 -0.026 20 0 FBADMM NC(=O)[C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822860336 606898073 /nfs/dbraw/zinc/89/80/73/606898073.db2.gz RZLAWPIAKNVDRJ-MNOVXSKESA-N -1 1 365.419 -0.026 20 0 FBADMM NC(=O)[C@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000822860337 606898301 /nfs/dbraw/zinc/89/83/01/606898301.db2.gz RZLAWPIAKNVDRJ-QWRGUYRKSA-N -1 1 365.419 -0.026 20 0 FBADMM NC(=O)[C@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822860337 606898299 /nfs/dbraw/zinc/89/82/99/606898299.db2.gz RZLAWPIAKNVDRJ-QWRGUYRKSA-N -1 1 365.419 -0.026 20 0 FBADMM NC(=O)[C@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000822860338 606898425 /nfs/dbraw/zinc/89/84/25/606898425.db2.gz RZLAWPIAKNVDRJ-WDEREUQCSA-N -1 1 365.419 -0.026 20 0 FBADMM NC(=O)[C@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822860338 606898424 /nfs/dbraw/zinc/89/84/24/606898424.db2.gz RZLAWPIAKNVDRJ-WDEREUQCSA-N -1 1 365.419 -0.026 20 0 FBADMM NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000822864709 606840883 /nfs/dbraw/zinc/84/08/83/606840883.db2.gz IYRUKCBRSCUQSP-UHFFFAOYSA-N -1 1 354.367 -0.108 20 0 FBADMM NC(=O)[C@H]1c2ccccc2CCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822864769 607215336 /nfs/dbraw/zinc/21/53/36/607215336.db2.gz KWCYJIUYQCRHPI-GFCCVEGCSA-N -1 1 353.346 -0.931 20 0 FBADMM NC(=O)[C@@H]1c2ccccc2CCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822864770 607215306 /nfs/dbraw/zinc/21/53/06/607215306.db2.gz KWCYJIUYQCRHPI-LBPRGKRZSA-N -1 1 353.346 -0.931 20 0 FBADMM NC(=O)C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000822864826 606145762 /nfs/dbraw/zinc/14/57/62/606145762.db2.gz MNGSUABHNUVXKI-SECBINFHSA-N -1 1 351.392 -0.462 20 0 FBADMM NC(=O)C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000822864826 606145761 /nfs/dbraw/zinc/14/57/61/606145761.db2.gz MNGSUABHNUVXKI-SECBINFHSA-N -1 1 351.392 -0.462 20 0 FBADMM NC(=O)C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000822864827 606145844 /nfs/dbraw/zinc/14/58/44/606145844.db2.gz MNGSUABHNUVXKI-VIFPVBQESA-N -1 1 351.392 -0.462 20 0 FBADMM NC(=O)C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000822864827 606145842 /nfs/dbraw/zinc/14/58/42/606145842.db2.gz MNGSUABHNUVXKI-VIFPVBQESA-N -1 1 351.392 -0.462 20 0 FBADMM NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000822864916 599341006 /nfs/dbraw/zinc/34/10/06/599341006.db2.gz OYRDIDLUNULKAH-SECBINFHSA-N -1 1 372.794 -0.605 20 0 FBADMM NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000822864917 599341087 /nfs/dbraw/zinc/34/10/87/599341087.db2.gz OYRDIDLUNULKAH-VIFPVBQESA-N -1 1 372.794 -0.605 20 0 FBADMM NC(=O)[C@H]1Cc2ccccc2N(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000822865083 607213861 /nfs/dbraw/zinc/21/38/61/607213861.db2.gz UTXXVXZUFASDJV-JTQLQIEISA-N -1 1 353.346 -0.851 20 0 FBADMM NC(=O)[C@@H]1Cc2ccccc2N(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000822865084 607213786 /nfs/dbraw/zinc/21/37/86/607213786.db2.gz UTXXVXZUFASDJV-SNVBAGLBSA-N -1 1 353.346 -0.851 20 0 FBADMM NC(=O)NC1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000822873865 606338053 /nfs/dbraw/zinc/33/80/53/606338053.db2.gz NHLFMPCBRCCPCW-UHFFFAOYSA-N -1 1 369.382 -0.173 20 0 FBADMM NC(=O)NC(=O)C1CCC(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000822874401 607217810 /nfs/dbraw/zinc/21/78/10/607217810.db2.gz ZLWOREHRUYZTKP-UHFFFAOYSA-N -1 1 358.362 -0.255 20 0 FBADMM NC(=O)NC(=O)C1CCC(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000822874401 607217809 /nfs/dbraw/zinc/21/78/09/607217809.db2.gz ZLWOREHRUYZTKP-UHFFFAOYSA-N -1 1 358.362 -0.255 20 0 FBADMM NC(=O)c1cc(Cl)nnc1NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000822880694 606442206 /nfs/dbraw/zinc/44/22/06/606442206.db2.gz YSGYBTNHAOQWTI-UHFFFAOYSA-N -1 1 363.773 -0.241 20 0 FBADMM NC(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000822884842 606634502 /nfs/dbraw/zinc/63/45/02/606634502.db2.gz ANTIBSXQKTXZDL-UHFFFAOYSA-N -1 1 360.359 -0.766 20 0 FBADMM NC(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000822884842 606634501 /nfs/dbraw/zinc/63/45/01/606634501.db2.gz ANTIBSXQKTXZDL-UHFFFAOYSA-N -1 1 360.359 -0.766 20 0 FBADMM NS(=O)(=O)NC[C@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000822894753 606465640 /nfs/dbraw/zinc/46/56/40/606465640.db2.gz FUYWQMPBJSHQJJ-MRVPVSSYSA-N -1 1 372.842 -0.075 20 0 FBADMM NS(=O)(=O)NC[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000822894753 606465639 /nfs/dbraw/zinc/46/56/39/606465639.db2.gz FUYWQMPBJSHQJJ-MRVPVSSYSA-N -1 1 372.842 -0.075 20 0 FBADMM NS(=O)(=O)NC[C@@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000822894755 606465312 /nfs/dbraw/zinc/46/53/12/606465312.db2.gz FUYWQMPBJSHQJJ-QMMMGPOBSA-N -1 1 372.842 -0.075 20 0 FBADMM NS(=O)(=O)NC[C@@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000822894755 606465310 /nfs/dbraw/zinc/46/53/10/606465310.db2.gz FUYWQMPBJSHQJJ-QMMMGPOBSA-N -1 1 372.842 -0.075 20 0 FBADMM NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000822894795 606527234 /nfs/dbraw/zinc/52/72/34/606527234.db2.gz GKMQMSVIGJCLRU-MRVPVSSYSA-N -1 1 371.448 -0.427 20 0 FBADMM NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000822894795 606527232 /nfs/dbraw/zinc/52/72/32/606527232.db2.gz GKMQMSVIGJCLRU-MRVPVSSYSA-N -1 1 371.448 -0.427 20 0 FBADMM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000822894796 606526924 /nfs/dbraw/zinc/52/69/24/606526924.db2.gz GKMQMSVIGJCLRU-QMMMGPOBSA-N -1 1 371.448 -0.427 20 0 FBADMM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000822894796 606526922 /nfs/dbraw/zinc/52/69/22/606526922.db2.gz GKMQMSVIGJCLRU-QMMMGPOBSA-N -1 1 371.448 -0.427 20 0 FBADMM NS(=O)(=O)CCN1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000822894990 606471196 /nfs/dbraw/zinc/47/11/96/606471196.db2.gz JTVCVQVTVRZTGE-UHFFFAOYSA-N -1 1 372.842 -0.674 20 0 FBADMM NS(=O)(=O)CCN1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000822894990 606471194 /nfs/dbraw/zinc/47/11/94/606471194.db2.gz JTVCVQVTVRZTGE-UHFFFAOYSA-N -1 1 372.842 -0.674 20 0 FBADMM NS(=O)(=O)c1ccc(CCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC000822895171 606532472 /nfs/dbraw/zinc/53/24/72/606532472.db2.gz MTNDHEWUOQPAFJ-UHFFFAOYSA-N -1 1 362.375 -0.192 20 0 FBADMM NS(=O)(=O)c1ccc(CCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000822895171 606532471 /nfs/dbraw/zinc/53/24/71/606532471.db2.gz MTNDHEWUOQPAFJ-UHFFFAOYSA-N -1 1 362.375 -0.192 20 0 FBADMM NS(=O)(=O)N1CCC(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000822895545 606650555 /nfs/dbraw/zinc/65/05/55/606650555.db2.gz SQFQSDYZWFOUAL-UHFFFAOYSA-N -1 1 367.391 -0.780 20 0 FBADMM NS(=O)(=O)N1CCC(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000822895545 606650554 /nfs/dbraw/zinc/65/05/54/606650554.db2.gz SQFQSDYZWFOUAL-UHFFFAOYSA-N -1 1 367.391 -0.780 20 0 FBADMM Nc1n[nH]c(CCCNc2cncc(-n3cncn3)n2)c1-c1nn[n-]n1 ZINC000822899375 606442182 /nfs/dbraw/zinc/44/21/82/606442182.db2.gz HRNVBXILRACLIE-UHFFFAOYSA-N -1 1 353.354 -0.413 20 0 FBADMM NS(=O)(=O)c1cnn(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000822899379 606296863 /nfs/dbraw/zinc/29/68/63/606296863.db2.gz HYEUTLWXSSVDAR-UHFFFAOYSA-N -1 1 364.347 -0.945 20 0 FBADMM Nc1n[nH]c(CCCNc2ncc(S(N)(=O)=O)s2)c1-c1nn[n-]n1 ZINC000822899804 606442134 /nfs/dbraw/zinc/44/21/34/606442134.db2.gz TUIJJYABCSHPGG-UHFFFAOYSA-N -1 1 370.424 -0.679 20 0 FBADMM Nc1n[nH]c(CCCNC(=O)C(=O)Nc2ccsc2)c1-c1nn[n-]n1 ZINC000822899829 606822563 /nfs/dbraw/zinc/82/25/63/606822563.db2.gz UZKVTNBEYHMDRN-UHFFFAOYSA-N -1 1 361.391 -0.079 20 0 FBADMM Nc1n[nH]c(CCCNC(=O)C(=O)Nc2ccsc2)c1-c1nnn[n-]1 ZINC000822899829 606822562 /nfs/dbraw/zinc/82/25/62/606822562.db2.gz UZKVTNBEYHMDRN-UHFFFAOYSA-N -1 1 361.391 -0.079 20 0 FBADMM Nc1n[nH]c(CCCNc2ncccc2S(N)(=O)=O)c1-c1nn[n-]n1 ZINC000822899890 606442242 /nfs/dbraw/zinc/44/22/42/606442242.db2.gz XHTNFDXJGKXPFC-UHFFFAOYSA-N -1 1 364.395 -0.741 20 0 FBADMM Nc1n[nH]c(CCCNc2ncnc(-n3cccn3)c2N)c1-c1nn[n-]n1 ZINC000822899920 606757870 /nfs/dbraw/zinc/75/78/70/606757870.db2.gz YOQWWMWLTAKZSJ-UHFFFAOYSA-N -1 1 367.381 -0.225 20 0 FBADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC000822903113 607425292 /nfs/dbraw/zinc/42/52/92/607425292.db2.gz GYDHHHFJSRXMSI-UHFFFAOYSA-N -1 1 370.377 -0.411 20 0 FBADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000822903931 599319390 /nfs/dbraw/zinc/31/93/90/599319390.db2.gz QIECGUJENWATDP-JTQLQIEISA-N -1 1 366.341 -0.461 20 0 FBADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000822903932 599319278 /nfs/dbraw/zinc/31/92/78/599319278.db2.gz QIECGUJENWATDP-SNVBAGLBSA-N -1 1 366.341 -0.461 20 0 FBADMM Nc1ncnc2c1ncn2CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822907240 606295935 /nfs/dbraw/zinc/29/59/35/606295935.db2.gz CQXMONKOSWQQKT-UHFFFAOYSA-N -1 1 352.318 -0.067 20 0 FBADMM Nc1nsc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC000822912206 606955151 /nfs/dbraw/zinc/95/51/51/606955151.db2.gz RABURXKDXLREFO-UHFFFAOYSA-N -1 1 358.391 -0.342 20 0 FBADMM Nc1nsc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC000822912206 606955149 /nfs/dbraw/zinc/95/51/49/606955149.db2.gz RABURXKDXLREFO-UHFFFAOYSA-N -1 1 358.391 -0.342 20 0 FBADMM O=C(CC1CCCCC1)NCCNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822941051 607212581 /nfs/dbraw/zinc/21/25/81/607212581.db2.gz OHKGEBWTBFILBH-UHFFFAOYSA-N -1 1 361.410 -0.339 20 0 FBADMM O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000822963906 606532484 /nfs/dbraw/zinc/53/24/84/606532484.db2.gz AQSVSVGTDVKQRQ-UHFFFAOYSA-N -1 1 359.350 -0.217 20 0 FBADMM O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000822963906 606532483 /nfs/dbraw/zinc/53/24/83/606532483.db2.gz AQSVSVGTDVKQRQ-UHFFFAOYSA-N -1 1 359.350 -0.217 20 0 FBADMM O=C(CCN1CCCS1(=O)=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822964098 606295854 /nfs/dbraw/zinc/29/58/54/606295854.db2.gz CTTLZNSBPIIHEG-UHFFFAOYSA-N -1 1 352.376 -0.064 20 0 FBADMM O=C(CCN1CCCS1(=O)=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822964582 606648222 /nfs/dbraw/zinc/64/82/22/606648222.db2.gz KOXGHRIRIRCHRO-UHFFFAOYSA-N -1 1 352.376 -0.270 20 0 FBADMM O=C(CCN1CCCS1(=O)=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822964582 606648221 /nfs/dbraw/zinc/64/82/21/606648221.db2.gz KOXGHRIRIRCHRO-UHFFFAOYSA-N -1 1 352.376 -0.270 20 0 FBADMM O=C(CCN1C(=O)c2ccccc2C1=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822965002 607161923 /nfs/dbraw/zinc/16/19/23/607161923.db2.gz WIUCZUROECBYQQ-UHFFFAOYSA-N -1 1 352.314 -0.286 20 0 FBADMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000822987399 599179921 /nfs/dbraw/zinc/17/99/21/599179921.db2.gz XEAVSPZDZUNNRB-UHFFFAOYSA-N -1 1 359.321 -0.438 20 0 FBADMM O=C(CN(CCO)CCO)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000822991773 607449768 /nfs/dbraw/zinc/44/97/68/607449768.db2.gz GDMQJIHRVFNFNM-UHFFFAOYSA-N -1 1 372.389 -0.723 20 0 FBADMM O=C(CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1)NC1CC1 ZINC000822996581 606520588 /nfs/dbraw/zinc/52/05/88/606520588.db2.gz HMYFJYGQTRMERY-UHFFFAOYSA-N -1 1 361.431 -0.035 20 0 FBADMM O=C(CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1)NC1CC1 ZINC000822996581 606520585 /nfs/dbraw/zinc/52/05/85/606520585.db2.gz HMYFJYGQTRMERY-UHFFFAOYSA-N -1 1 361.431 -0.035 20 0 FBADMM O=C(CN1C[C@@H](O)[C@@H](O)C1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823001289 606198902 /nfs/dbraw/zinc/19/89/02/606198902.db2.gz KEVKYWVDIMARID-BETUJISGSA-N -1 1 370.373 -0.972 20 0 FBADMM O=C(CN1CCS(=O)(=O)CC1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823001559 606293462 /nfs/dbraw/zinc/29/34/62/606293462.db2.gz MLDGPUIPRFDDOK-UHFFFAOYSA-N -1 1 352.376 -0.759 20 0 FBADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)s1)NCCN1CCOCC1 ZINC000823005313 606559113 /nfs/dbraw/zinc/55/91/13/606559113.db2.gz LRSXVIFMKPPYMC-UHFFFAOYSA-N -1 1 365.419 -0.894 20 0 FBADMM O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823005479 606531552 /nfs/dbraw/zinc/53/15/52/606531552.db2.gz SNWAPQNHZIAINT-UHFFFAOYSA-N -1 1 356.302 -0.313 20 0 FBADMM O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823005479 606531550 /nfs/dbraw/zinc/53/15/50/606531550.db2.gz SNWAPQNHZIAINT-UHFFFAOYSA-N -1 1 356.302 -0.313 20 0 FBADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)NCC(=O)N1CCCC1 ZINC000823026700 606139695 /nfs/dbraw/zinc/13/96/95/606139695.db2.gz BILITNXZQQIYIP-UHFFFAOYSA-N -1 1 364.387 -0.176 20 0 FBADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)NCC(=O)N1CCCC1 ZINC000823026700 606139694 /nfs/dbraw/zinc/13/96/94/606139694.db2.gz BILITNXZQQIYIP-UHFFFAOYSA-N -1 1 364.387 -0.176 20 0 FBADMM C[C@@H]1CN(C(=O)N=c2ccnc3n(C)[n-]cc2-3)CCN1S(C)(=O)=O ZINC000823057685 661094046 /nfs/dbraw/zinc/09/40/46/661094046.db2.gz GPKVQGJINQRVTL-SNVBAGLBSA-N -1 1 352.420 -0.161 20 0 FBADMM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)N=c3ccnc4n(C)[n-]cc3-4)C[C@H]21 ZINC000823058783 661094082 /nfs/dbraw/zinc/09/40/82/661094082.db2.gz ROUWOOGTCILMLV-UHTWSYAYSA-N -1 1 365.415 -0.383 20 0 FBADMM O=C(Cn1cc(Nc2nccnc2-c2nn[n-]n2)cn1)N1CCOCC1 ZINC000823118507 599578321 /nfs/dbraw/zinc/57/83/21/599578321.db2.gz BRXNYJNSYKJMMQ-UHFFFAOYSA-N -1 1 356.350 -0.544 20 0 FBADMM O=C(Cn1cc(Nc2nccnc2-c2nnn[n-]2)cn1)N1CCOCC1 ZINC000823118507 599578318 /nfs/dbraw/zinc/57/83/18/599578318.db2.gz BRXNYJNSYKJMMQ-UHFFFAOYSA-N -1 1 356.350 -0.544 20 0 FBADMM O=C(Cn1cc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cn1)NCCO ZINC000823118753 606471278 /nfs/dbraw/zinc/47/12/78/606471278.db2.gz PGUAJIUYRQFOQY-UHFFFAOYSA-N -1 1 363.769 -0.036 20 0 FBADMM O=C(Cn1cc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cn1)NCCO ZINC000823118753 606471276 /nfs/dbraw/zinc/47/12/76/606471276.db2.gz PGUAJIUYRQFOQY-UHFFFAOYSA-N -1 1 363.769 -0.036 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC[C@@H](OCc2ccncc2)C1 ZINC000823122717 607217733 /nfs/dbraw/zinc/21/77/33/607217733.db2.gz GUWJXNZNKUMYHI-GFCCVEGCSA-N -1 1 355.362 -0.329 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC[C@H](OCc2ccncc2)C1 ZINC000823122720 607218003 /nfs/dbraw/zinc/21/80/03/607218003.db2.gz GUWJXNZNKUMYHI-LBPRGKRZSA-N -1 1 355.362 -0.329 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000823122985 607223125 /nfs/dbraw/zinc/22/31/25/607223125.db2.gz JXCLSUDTKROKII-UHFFFAOYSA-N -1 1 350.346 -0.040 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000823123159 607216259 /nfs/dbraw/zinc/21/62/59/607216259.db2.gz PTIWPGJNVQDXPY-LLVKDONJSA-N -1 1 359.394 -0.681 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000823123160 607216317 /nfs/dbraw/zinc/21/63/17/607216317.db2.gz PTIWPGJNVQDXPY-NSHDSACASA-N -1 1 359.394 -0.681 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC[C@@H](OCc2ccccn2)C1 ZINC000823123194 607224196 /nfs/dbraw/zinc/22/41/96/607224196.db2.gz RLYMIGZJZQFATA-GFCCVEGCSA-N -1 1 355.362 -0.329 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC[C@H](OCc2ccccn2)C1 ZINC000823123195 607224006 /nfs/dbraw/zinc/22/40/06/607224006.db2.gz RLYMIGZJZQFATA-LBPRGKRZSA-N -1 1 355.362 -0.329 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000823123272 607214328 /nfs/dbraw/zinc/21/43/28/607214328.db2.gz VQEDVFBCWSFHEL-GHMZBOCLSA-N -1 1 364.435 -0.029 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000823123273 607214528 /nfs/dbraw/zinc/21/45/28/607214528.db2.gz VQEDVFBCWSFHEL-MNOVXSKESA-N -1 1 364.435 -0.029 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000823123274 607214665 /nfs/dbraw/zinc/21/46/65/607214665.db2.gz VQEDVFBCWSFHEL-QWRGUYRKSA-N -1 1 364.435 -0.029 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000823123275 607214622 /nfs/dbraw/zinc/21/46/22/607214622.db2.gz VQEDVFBCWSFHEL-WDEREUQCSA-N -1 1 364.435 -0.029 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000823123428 607217101 /nfs/dbraw/zinc/21/71/01/607217101.db2.gz ZEXPXXMAKUIUQM-LLVKDONJSA-N -1 1 359.394 -0.538 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000823123429 607217112 /nfs/dbraw/zinc/21/71/12/607217112.db2.gz ZEXPXXMAKUIUQM-NSHDSACASA-N -1 1 359.394 -0.538 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000823125531 607211915 /nfs/dbraw/zinc/21/19/15/607211915.db2.gz ABKDBXCOYGQNAF-JTQLQIEISA-N -1 1 353.346 -0.620 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000823125533 607211855 /nfs/dbraw/zinc/21/18/55/607211855.db2.gz ABKDBXCOYGQNAF-SNVBAGLBSA-N -1 1 353.346 -0.620 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC(=O)N1CCCc2ccccc21 ZINC000823125547 607210589 /nfs/dbraw/zinc/21/05/89/607210589.db2.gz AMCKYKAAYWIBHZ-UHFFFAOYSA-N -1 1 367.373 -0.446 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000823125674 607224219 /nfs/dbraw/zinc/22/42/19/607224219.db2.gz ATFRGEKDKCEUTP-GFCCVEGCSA-N -1 1 356.346 -0.236 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000823125675 607224429 /nfs/dbraw/zinc/22/44/29/607224429.db2.gz ATFRGEKDKCEUTP-LBPRGKRZSA-N -1 1 356.346 -0.236 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000823125689 607216295 /nfs/dbraw/zinc/21/62/95/607216295.db2.gz AYOKIPNJCQTIIL-GFCCVEGCSA-N -1 1 361.410 -0.829 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCC[C@H]1CN1CCOCC1 ZINC000823125690 607216209 /nfs/dbraw/zinc/21/62/09/607216209.db2.gz AYOKIPNJCQTIIL-LBPRGKRZSA-N -1 1 361.410 -0.829 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC(=O)N1CCc2ccccc2C1 ZINC000823125718 607212605 /nfs/dbraw/zinc/21/26/05/607212605.db2.gz BXFSARWDGWHCIV-UHFFFAOYSA-N -1 1 367.373 -0.841 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000823125995 607211657 /nfs/dbraw/zinc/21/16/57/607211657.db2.gz DVRYESSUMVNQKJ-UHFFFAOYSA-N -1 1 374.796 -0.145 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC[C@@H]1C(=O)Nc2ccccc21 ZINC000823126005 607206182 /nfs/dbraw/zinc/20/61/82/607206182.db2.gz FDKDVMRWBLJLRK-JTQLQIEISA-N -1 1 353.346 -0.300 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC[C@H]1C(=O)Nc2ccccc21 ZINC000823126006 607206027 /nfs/dbraw/zinc/20/60/27/607206027.db2.gz FDKDVMRWBLJLRK-SNVBAGLBSA-N -1 1 353.346 -0.300 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000823126027 607223223 /nfs/dbraw/zinc/22/32/23/607223223.db2.gz FPXKQOCFNZLUDE-SECBINFHSA-N -1 1 374.796 -0.098 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000823126028 607223250 /nfs/dbraw/zinc/22/32/50/607223250.db2.gz FPXKQOCFNZLUDE-VIFPVBQESA-N -1 1 374.796 -0.098 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000823126049 607224099 /nfs/dbraw/zinc/22/40/99/607224099.db2.gz GIZSSWFGNAHGHE-GFCCVEGCSA-N -1 1 373.421 -0.244 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000823126050 607224156 /nfs/dbraw/zinc/22/41/56/607224156.db2.gz GIZSSWFGNAHGHE-LBPRGKRZSA-N -1 1 373.421 -0.244 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCN(c2nccs2)CC1 ZINC000823126056 607211738 /nfs/dbraw/zinc/21/17/38/607211738.db2.gz GRFUAYKHTLMBII-UHFFFAOYSA-N -1 1 360.407 -0.346 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCOC[C@H]1Cc1ccccc1 ZINC000823126069 607221953 /nfs/dbraw/zinc/22/19/53/607221953.db2.gz GYGNRORMEWLADE-CYBMUJFWSA-N -1 1 354.374 -0.072 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCOC[C@@H]1Cc1ccccc1 ZINC000823126070 607221747 /nfs/dbraw/zinc/22/17/47/607221747.db2.gz GYGNRORMEWLADE-ZDUSSCGKSA-N -1 1 354.374 -0.072 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000823126072 607224356 /nfs/dbraw/zinc/22/43/56/607224356.db2.gz GZBYPUBBSSAIFE-LLVKDONJSA-N -1 1 359.394 -0.635 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000823126073 607224489 /nfs/dbraw/zinc/22/44/89/607224489.db2.gz GZBYPUBBSSAIFE-NSHDSACASA-N -1 1 359.394 -0.635 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000823126285 607224243 /nfs/dbraw/zinc/22/42/43/607224243.db2.gz HDTNVRFVZCZBBA-NEPJUHHUSA-N -1 1 361.410 -0.782 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000823126286 607224574 /nfs/dbraw/zinc/22/45/74/607224574.db2.gz HDTNVRFVZCZBBA-NWDGAFQWSA-N -1 1 361.410 -0.782 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000823126287 607224716 /nfs/dbraw/zinc/22/47/16/607224716.db2.gz HDTNVRFVZCZBBA-RYUDHWBXSA-N -1 1 361.410 -0.782 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000823126288 607224660 /nfs/dbraw/zinc/22/46/60/607224660.db2.gz HDTNVRFVZCZBBA-VXGBXAGGSA-N -1 1 361.410 -0.782 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@]1(O)CCCc2ccccc21 ZINC000823126317 607219551 /nfs/dbraw/zinc/21/95/51/607219551.db2.gz HWEGGXMUFQYRSR-INIZCTEOSA-N -1 1 354.374 -0.202 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@]1(O)CCCc2ccccc21 ZINC000823126318 607219647 /nfs/dbraw/zinc/21/96/47/607219647.db2.gz HWEGGXMUFQYRSR-MRXNPFEDSA-N -1 1 354.374 -0.202 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000823126319 607217812 /nfs/dbraw/zinc/21/78/12/607217812.db2.gz HWRIHHODUPZCPC-GFCCVEGCSA-N -1 1 367.373 -0.230 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000823126320 607217775 /nfs/dbraw/zinc/21/77/75/607217775.db2.gz HWRIHHODUPZCPC-LBPRGKRZSA-N -1 1 367.373 -0.230 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000823126330 607208445 /nfs/dbraw/zinc/20/84/45/607208445.db2.gz ICJKNHGHCLIXBH-JTQLQIEISA-N -1 1 355.366 -0.967 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000823126331 607208386 /nfs/dbraw/zinc/20/83/86/607208386.db2.gz ICJKNHGHCLIXBH-SNVBAGLBSA-N -1 1 355.366 -0.967 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000823126334 607217306 /nfs/dbraw/zinc/21/73/06/607217306.db2.gz IHYGSMGHMXVUDV-JTQLQIEISA-N -1 1 371.336 -0.481 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000823126335 607217294 /nfs/dbraw/zinc/21/72/94/607217294.db2.gz IHYGSMGHMXVUDV-SNVBAGLBSA-N -1 1 371.336 -0.481 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(Cc2ccncc2)CC1 ZINC000823126732 607206170 /nfs/dbraw/zinc/20/61/70/607206170.db2.gz MHMWXQPFLYWOBP-UHFFFAOYSA-N -1 1 354.378 -0.802 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000823126752 607224544 /nfs/dbraw/zinc/22/45/44/607224544.db2.gz MPGPADUQEVAZOW-JTQLQIEISA-N -1 1 359.394 -0.492 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000823126756 607224678 /nfs/dbraw/zinc/22/46/78/607224678.db2.gz MPGPADUQEVAZOW-SNVBAGLBSA-N -1 1 359.394 -0.492 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000823126757 607224757 /nfs/dbraw/zinc/22/47/57/607224757.db2.gz MVRJZAHCCBZPFT-LLVKDONJSA-N -1 1 359.394 -0.492 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000823126759 607224559 /nfs/dbraw/zinc/22/45/59/607224559.db2.gz MVRJZAHCCBZPFT-NSHDSACASA-N -1 1 359.394 -0.492 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@H](O)COc1cccc(F)c1 ZINC000823126928 607223994 /nfs/dbraw/zinc/22/39/94/607223994.db2.gz NYOITOYSQXOYSE-JTQLQIEISA-N -1 1 362.325 -0.847 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H](O)COc1cccc(F)c1 ZINC000823126929 607224075 /nfs/dbraw/zinc/22/40/75/607224075.db2.gz NYOITOYSQXOYSE-SNVBAGLBSA-N -1 1 362.325 -0.847 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(Cc2cscn2)CC1 ZINC000823126947 607210523 /nfs/dbraw/zinc/21/05/23/607210523.db2.gz ONYRBGLOWACOPL-UHFFFAOYSA-N -1 1 360.407 -0.741 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000823126955 607205240 /nfs/dbraw/zinc/20/52/40/607205240.db2.gz ORUPYRSJZOFVLH-UHFFFAOYSA-N -1 1 367.373 -0.557 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCN(Cc2cscn2)CC1 ZINC000823126974 607213804 /nfs/dbraw/zinc/21/38/04/607213804.db2.gz PDOYPDMQOBIIFD-UHFFFAOYSA-N -1 1 374.434 -0.351 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCC(=O)OCc1ccccc1 ZINC000823126977 607224725 /nfs/dbraw/zinc/22/47/25/607224725.db2.gz PLYBGDRONAVUHV-UHFFFAOYSA-N -1 1 356.346 -0.292 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC(=O)N1CCc2ccccc21 ZINC000823127012 607212930 /nfs/dbraw/zinc/21/29/30/607212930.db2.gz QRXKFNCJVZOHFI-UHFFFAOYSA-N -1 1 353.346 -0.836 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000823127045 607223303 /nfs/dbraw/zinc/22/33/03/607223303.db2.gz RHXGDISJVRNWNP-SECBINFHSA-N -1 1 358.341 -0.613 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCN(c2ncccc2F)C1 ZINC000823127046 607223093 /nfs/dbraw/zinc/22/30/93/607223093.db2.gz RHXGDISJVRNWNP-VIFPVBQESA-N -1 1 358.341 -0.613 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(Cc2cccnc2)CC1 ZINC000823127051 607206638 /nfs/dbraw/zinc/20/66/38/607206638.db2.gz RJNMJWCEHMCUDG-UHFFFAOYSA-N -1 1 354.378 -0.802 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000823127056 607224595 /nfs/dbraw/zinc/22/45/95/607224595.db2.gz RMCCEYWBXGNPFE-GHMZBOCLSA-N -1 1 374.361 -0.598 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000823127057 607224568 /nfs/dbraw/zinc/22/45/68/607224568.db2.gz RMCCEYWBXGNPFE-MNOVXSKESA-N -1 1 374.361 -0.598 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000823127058 607224607 /nfs/dbraw/zinc/22/46/07/607224607.db2.gz RMCCEYWBXGNPFE-QWRGUYRKSA-N -1 1 374.361 -0.598 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000823127059 607224763 /nfs/dbraw/zinc/22/47/63/607224763.db2.gz RMCCEYWBXGNPFE-WDEREUQCSA-N -1 1 374.361 -0.598 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000823127064 607222687 /nfs/dbraw/zinc/22/26/87/607222687.db2.gz RPFNZXKTIQQQHF-NXEZZACHSA-N -1 1 366.407 -0.974 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000823127065 607222693 /nfs/dbraw/zinc/22/26/93/607222693.db2.gz RPFNZXKTIQQQHF-UWVGGRQHSA-N -1 1 366.407 -0.974 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000823127066 607222601 /nfs/dbraw/zinc/22/26/01/607222601.db2.gz RPFNZXKTIQQQHF-VHSXEESVSA-N -1 1 366.407 -0.974 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000823127067 607222506 /nfs/dbraw/zinc/22/25/06/607222506.db2.gz RPFNZXKTIQQQHF-ZJUUUORDSA-N -1 1 366.407 -0.974 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(c2cccc(O)c2)CC1 ZINC000823127068 607322346 /nfs/dbraw/zinc/32/23/46/607322346.db2.gz RRFQLWGLTYLKSN-UHFFFAOYSA-N -1 1 355.362 -0.487 20 0 FBADMM O=C(CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(Cl)cc1 ZINC000823127078 607209889 /nfs/dbraw/zinc/20/98/89/607209889.db2.gz RVUWOZSXTXXLOW-UHFFFAOYSA-N -1 1 361.753 -0.134 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000823127094 607505239 /nfs/dbraw/zinc/50/52/39/607505239.db2.gz SMNBMHHEXQDYCE-SSDOTTSWSA-N -1 1 373.299 -0.872 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000823127095 607505344 /nfs/dbraw/zinc/50/53/44/607505344.db2.gz SMNBMHHEXQDYCE-ZETCQYMHSA-N -1 1 373.299 -0.872 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(Cc2cccc(O)c2)CC1 ZINC000823127113 607222030 /nfs/dbraw/zinc/22/20/30/607222030.db2.gz UBUIKZIWCBEVDT-UHFFFAOYSA-N -1 1 369.389 -0.492 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@H](O)COc1ccc(F)cc1 ZINC000823127146 607223968 /nfs/dbraw/zinc/22/39/68/607223968.db2.gz UTCVSRFKHVNMQE-JTQLQIEISA-N -1 1 362.325 -0.847 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H](O)COc1ccc(F)cc1 ZINC000823127147 607224766 /nfs/dbraw/zinc/22/47/66/607224766.db2.gz UTCVSRFKHVNMQE-SNVBAGLBSA-N -1 1 362.325 -0.847 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC1(c2ccc3c(c2)OCO3)CC1 ZINC000823127157 607321492 /nfs/dbraw/zinc/32/14/92/607321492.db2.gz VCMAWSQVNIZIQN-UHFFFAOYSA-N -1 1 354.330 -0.008 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@H](CO)Cc1ccc(F)cc1 ZINC000823127163 607222478 /nfs/dbraw/zinc/22/24/78/607222478.db2.gz VOBGOHAJURXTMT-LLVKDONJSA-N -1 1 360.353 -0.435 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H](CO)Cc1ccc(F)cc1 ZINC000823127164 607222526 /nfs/dbraw/zinc/22/25/26/607222526.db2.gz VOBGOHAJURXTMT-NSHDSACASA-N -1 1 360.353 -0.435 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000823127184 607211834 /nfs/dbraw/zinc/21/18/34/607211834.db2.gz WBCLBHGUQLLENI-GFCCVEGCSA-N -1 1 367.373 -0.625 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000823127185 607211689 /nfs/dbraw/zinc/21/16/89/607211689.db2.gz WBCLBHGUQLLENI-LBPRGKRZSA-N -1 1 367.373 -0.625 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCN(CC(F)(F)F)CC1 ZINC000823127191 607211698 /nfs/dbraw/zinc/21/16/98/607211698.db2.gz WEVXVWKFVWHMRK-UHFFFAOYSA-N -1 1 359.316 -0.445 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H](O)c1c(F)cccc1F ZINC000823127202 607224535 /nfs/dbraw/zinc/22/45/35/607224535.db2.gz WLGXQNMTSRZOAN-SECBINFHSA-N -1 1 350.289 -0.414 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@H](O)c1c(F)cccc1F ZINC000823127203 607224775 /nfs/dbraw/zinc/22/47/75/607224775.db2.gz WLGXQNMTSRZOAN-VIFPVBQESA-N -1 1 350.289 -0.414 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(C(=O)c2ccsc2)CC1 ZINC000823127207 607209206 /nfs/dbraw/zinc/20/92/06/607209206.db2.gz WOGSJLLKVYHKEL-UHFFFAOYSA-N -1 1 373.402 -0.496 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000823127208 607216283 /nfs/dbraw/zinc/21/62/83/607216283.db2.gz WOYIHLOAPVVRGC-LLVKDONJSA-N -1 1 353.346 -0.620 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCN(c2ccccc2)C1=O ZINC000823127209 607216268 /nfs/dbraw/zinc/21/62/68/607216268.db2.gz WOYIHLOAPVVRGC-NSHDSACASA-N -1 1 353.346 -0.620 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC[C@H]1COc2ccccc2O1 ZINC000823127214 607224625 /nfs/dbraw/zinc/22/46/25/607224625.db2.gz WUKRDKHNXVDXBU-JTQLQIEISA-N -1 1 356.346 -0.196 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC[C@@H]1COc2ccccc2O1 ZINC000823127215 607224719 /nfs/dbraw/zinc/22/47/19/607224719.db2.gz WUKRDKHNXVDXBU-SNVBAGLBSA-N -1 1 356.346 -0.196 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000823127216 607211716 /nfs/dbraw/zinc/21/17/16/607211716.db2.gz WUWDMXOFEMAHNV-UHFFFAOYSA-N -1 1 373.421 -0.291 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(c2cccc(F)c2)CC1 ZINC000823127219 607237671 /nfs/dbraw/zinc/23/76/71/607237671.db2.gz WVTOHKOTOGQZKO-UHFFFAOYSA-N -1 1 357.353 -0.054 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(Cc2ccccn2)CC1 ZINC000823127252 607206055 /nfs/dbraw/zinc/20/60/55/607206055.db2.gz XRXIUQNIZAGSAR-UHFFFAOYSA-N -1 1 354.378 -0.802 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000823127293 607224598 /nfs/dbraw/zinc/22/45/98/607224598.db2.gz ZBVNZVMIIXSJIH-UHFFFAOYSA-N -1 1 371.380 -0.058 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCNC(=O)c1ccc(F)cc1 ZINC000823130984 607216365 /nfs/dbraw/zinc/21/63/65/607216365.db2.gz AHZZVALJCWCTLU-UHFFFAOYSA-N -1 1 373.352 -0.466 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(-n2cncn2)cc1 ZINC000823130992 607208418 /nfs/dbraw/zinc/20/84/18/607208418.db2.gz ATAZHKVRWNYDOD-UHFFFAOYSA-N -1 1 351.334 -0.645 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCNC(=O)c1ccccc1 ZINC000823130996 607213077 /nfs/dbraw/zinc/21/30/77/607213077.db2.gz AVOAOIZRVRUDHM-UHFFFAOYSA-N -1 1 355.362 -0.606 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCNC(=O)c1ccc(F)cc1 ZINC000823131034 607210499 /nfs/dbraw/zinc/21/04/99/607210499.db2.gz BBJYQSJXPQLVFT-UHFFFAOYSA-N -1 1 359.325 -0.857 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccccc1-n1ccnc1 ZINC000823131062 607233851 /nfs/dbraw/zinc/23/38/51/607233851.db2.gz BNCOJWNOCQXNSC-UHFFFAOYSA-N -1 1 350.346 -0.040 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1noc(-c2cccs2)n1 ZINC000823131070 607211921 /nfs/dbraw/zinc/21/19/21/607211921.db2.gz BSYCDJDEEBBZOA-UHFFFAOYSA-N -1 1 358.347 -0.114 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(-n2cccn2)cc1 ZINC000823131078 607208497 /nfs/dbraw/zinc/20/84/97/607208497.db2.gz BXCQWNAWKUBCJW-UHFFFAOYSA-N -1 1 350.346 -0.040 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC[S@@](=O)Cc1ccccc1 ZINC000823131226 607216392 /nfs/dbraw/zinc/21/63/92/607216392.db2.gz DFVWZRPFFXRYKX-RUZDIDTESA-N -1 1 360.403 -0.477 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC[S@](=O)Cc1ccccc1 ZINC000823131229 607216251 /nfs/dbraw/zinc/21/62/51/607216251.db2.gz DFVWZRPFFXRYKX-VWLOTQADSA-N -1 1 360.403 -0.477 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cc(-n2cnnn2)ccc1Cl ZINC000823131296 607158073 /nfs/dbraw/zinc/15/80/73/607158073.db2.gz FNSSJAZSANQDKN-UHFFFAOYSA-N -1 1 372.740 -0.274 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCOc1ccc(F)c(F)c1 ZINC000823131358 607215677 /nfs/dbraw/zinc/21/56/77/607215677.db2.gz GKGFCTVOEVEBCV-UHFFFAOYSA-N -1 1 350.289 -0.068 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCN1C(=O)Cc2ccccc21 ZINC000823131387 607213001 /nfs/dbraw/zinc/21/30/01/607213001.db2.gz GVXAVDGCPYJUEH-UHFFFAOYSA-N -1 1 353.346 -0.836 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccn(-c2ccccc2)n1 ZINC000823131399 607209763 /nfs/dbraw/zinc/20/97/63/607209763.db2.gz GZKAOPSHTGKJJJ-UHFFFAOYSA-N -1 1 350.346 -0.040 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCc1csc(N2CCCC2)n1 ZINC000823131429 607217915 /nfs/dbraw/zinc/21/79/15/607217915.db2.gz HENSXJDYUOLTEV-UHFFFAOYSA-N -1 1 374.434 -0.126 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(-n2cncn2)c(F)c1 ZINC000823131465 607209309 /nfs/dbraw/zinc/20/93/09/607209309.db2.gz HSKDRJZBQSTVDQ-UHFFFAOYSA-N -1 1 355.297 -0.183 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(N2CCCC2)nc1 ZINC000823131520 607206678 /nfs/dbraw/zinc/20/66/78/607206678.db2.gz IFZGMDYPEFRIIG-UHFFFAOYSA-N -1 1 354.378 -0.230 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCc1ccc2c(c1)OCCO2 ZINC000823131566 607223469 /nfs/dbraw/zinc/22/34/69/607223469.db2.gz JYZMJYUKNZDDIQ-UHFFFAOYSA-N -1 1 370.373 -0.022 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc2c(c1)OCCCO2 ZINC000823131655 607213852 /nfs/dbraw/zinc/21/38/52/607213852.db2.gz LERQZAQDNPYOCW-UHFFFAOYSA-N -1 1 356.346 -0.064 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCNC(=O)c1cccc(F)c1 ZINC000823131674 607216185 /nfs/dbraw/zinc/21/61/85/607216185.db2.gz LUDWGGLBAQPFLS-UHFFFAOYSA-N -1 1 373.352 -0.466 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCS(=O)(=O)c1ccccc1 ZINC000823131714 607210926 /nfs/dbraw/zinc/21/09/26/607210926.db2.gz MMDNVVAFOBHRQT-UHFFFAOYSA-N -1 1 362.375 -0.952 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCN(C(=O)C1CCC1)C1CC1 ZINC000823131719 607216326 /nfs/dbraw/zinc/21/63/26/607216326.db2.gz MOKAEIHXZPZZDO-UHFFFAOYSA-N -1 1 373.421 -0.244 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccccc1N1CCOCC1 ZINC000823131763 607209961 /nfs/dbraw/zinc/20/99/61/607209961.db2.gz NNQMAAKOPZHMAY-UHFFFAOYSA-N -1 1 369.389 -0.389 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccccc1Cn1cncn1 ZINC000823131787 607207736 /nfs/dbraw/zinc/20/77/36/607207736.db2.gz OSENMWXCPTXSNF-UHFFFAOYSA-N -1 1 365.361 -0.586 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCc1nc2cc(F)ccc2[nH]1 ZINC000823131904 607221199 /nfs/dbraw/zinc/22/11/99/607221199.db2.gz PYWGHRLTKCWDDD-UHFFFAOYSA-N -1 1 356.325 -0.168 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCNc1ncnc2sccc21 ZINC000823131914 607209328 /nfs/dbraw/zinc/20/93/28/607209328.db2.gz QKIJDBYXYRVSSG-UHFFFAOYSA-N -1 1 371.390 -0.309 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1cccc2c1OCCCO2 ZINC000823131919 607320587 /nfs/dbraw/zinc/32/05/87/607320587.db2.gz QRSVHGWYUUWCQT-UHFFFAOYSA-N -1 1 356.346 -0.064 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCNC(=O)c1cccs1 ZINC000823131929 661094868 /nfs/dbraw/zinc/09/48/68/661094868.db2.gz RCFNNYFMZPRZAO-UHFFFAOYSA-N -1 1 361.391 -0.544 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1nc(Cc2ccccc2)no1 ZINC000823131933 607211707 /nfs/dbraw/zinc/21/17/07/607211707.db2.gz RFBMRHOEXWWVDF-UHFFFAOYSA-N -1 1 366.345 -0.252 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCNC(=O)c1cccc(O)c1 ZINC000823131949 607233198 /nfs/dbraw/zinc/23/31/98/607233198.db2.gz RXJSYMOPLBNZBD-UHFFFAOYSA-N -1 1 371.361 -0.900 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1cccc(-n2cncn2)c1 ZINC000823131951 607218576 /nfs/dbraw/zinc/21/85/76/607218576.db2.gz RYTOOARBCUFHJJ-UHFFFAOYSA-N -1 1 351.334 -0.645 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1n[nH]cc1Br ZINC000823131969 607214468 /nfs/dbraw/zinc/21/44/68/607214468.db2.gz SQEZJVKGYZZJIX-UHFFFAOYSA-N -1 1 353.144 -0.740 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cc(-n2cnnn2)ccc1F ZINC000823131980 607157819 /nfs/dbraw/zinc/15/78/19/607157819.db2.gz TXIISFIFZLYYLA-UHFFFAOYSA-N -1 1 356.285 -0.788 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccccc1-n1cccn1 ZINC000823131989 607211884 /nfs/dbraw/zinc/21/18/84/607211884.db2.gz UODMDCHUTQBJEG-UHFFFAOYSA-N -1 1 350.346 -0.040 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(-n2ccnc2)cc1 ZINC000823131995 607211686 /nfs/dbraw/zinc/21/16/86/607211686.db2.gz UTVIUYFLFOPRAR-UHFFFAOYSA-N -1 1 350.346 -0.040 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1cn(-c2ccccc2)nn1 ZINC000823132001 607222598 /nfs/dbraw/zinc/22/25/98/607222598.db2.gz UWHDYDMVGPLOCU-UHFFFAOYSA-N -1 1 351.334 -0.645 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccnc(N2CCCC2)c1 ZINC000823132012 607206567 /nfs/dbraw/zinc/20/65/67/607206567.db2.gz VHRUVEICHRXUTP-UHFFFAOYSA-N -1 1 354.378 -0.230 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(Cn2cncn2)cc1 ZINC000823132047 607206024 /nfs/dbraw/zinc/20/60/24/607206024.db2.gz WXEYHYBCTDQFMH-UHFFFAOYSA-N -1 1 365.361 -0.586 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCN1CCc2sccc2C1 ZINC000823132059 607209897 /nfs/dbraw/zinc/20/98/97/607209897.db2.gz XJZWBSBFIPCCIY-UHFFFAOYSA-N -1 1 359.419 -0.306 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCNC(=O)c1ccccc1F ZINC000823132061 607209907 /nfs/dbraw/zinc/20/99/07/607209907.db2.gz XOTICRUJNBNMNM-UHFFFAOYSA-N -1 1 359.325 -0.857 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCn1c(=O)[nH]c2ccccc21 ZINC000823132064 607221907 /nfs/dbraw/zinc/22/19/07/607221907.db2.gz XWFNFVGVHZRZNA-UHFFFAOYSA-N -1 1 354.334 -0.670 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCOc1ccc(F)cc1F ZINC000823132090 607215661 /nfs/dbraw/zinc/21/56/61/607215661.db2.gz ZHMABQZEHCBYPG-UHFFFAOYSA-N -1 1 350.289 -0.068 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000823132101 607206729 /nfs/dbraw/zinc/20/67/29/607206729.db2.gz ZWKHREQOJWPIGI-UHFFFAOYSA-N -1 1 353.346 -0.011 20 0 FBADMM O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000823135944 607213757 /nfs/dbraw/zinc/21/37/57/607213757.db2.gz BKFVIYSTRWXYRC-UHFFFAOYSA-N -1 1 354.290 -0.560 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1nncn1Cc1ccccc1 ZINC000823135972 607218361 /nfs/dbraw/zinc/21/83/61/607218361.db2.gz DFGDGEPCDIMAEY-UHFFFAOYSA-N -1 1 351.334 -0.263 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(N2CCOCC2)c1 ZINC000823136017 607209772 /nfs/dbraw/zinc/20/97/72/607209772.db2.gz GGKRLUSOBFSXMT-UHFFFAOYSA-N -1 1 355.362 -0.067 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccccc1CN1CCOCC1 ZINC000823136047 607209239 /nfs/dbraw/zinc/20/92/39/607209239.db2.gz HMXKJIFHCQCZEJ-UHFFFAOYSA-N -1 1 369.389 -0.071 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(N2CCOCC2)cn1 ZINC000823136071 607206839 /nfs/dbraw/zinc/20/68/39/607206839.db2.gz IRXNZBBQCOGGSW-UHFFFAOYSA-N -1 1 356.350 -0.672 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000823136085 607224675 /nfs/dbraw/zinc/22/46/75/607224675.db2.gz JJEJDYGONNBVLM-UHFFFAOYSA-N -1 1 360.359 -0.573 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccn(CCc2ccncc2)n1 ZINC000823136086 607213366 /nfs/dbraw/zinc/21/33/66/607213366.db2.gz JKYOBZCRLXXEPD-UHFFFAOYSA-N -1 1 365.361 -0.069 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ncn(Cc2ccccc2)n1 ZINC000823136158 607210953 /nfs/dbraw/zinc/21/09/53/607210953.db2.gz MKWTZJVDZDDCAW-UHFFFAOYSA-N -1 1 351.334 -0.263 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(Cn2cncn2)cc1 ZINC000823136169 607207677 /nfs/dbraw/zinc/20/76/77/607207677.db2.gz MZQHDKAKCLXPHY-UHFFFAOYSA-N -1 1 351.334 -0.263 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccnc1N1CCOCC1 ZINC000823136184 607209859 /nfs/dbraw/zinc/20/98/59/607209859.db2.gz NPVOKWPNKIANND-UHFFFAOYSA-N -1 1 356.350 -0.672 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(CN2CCOCC2)c1 ZINC000823136281 607211042 /nfs/dbraw/zinc/21/10/42/607211042.db2.gz STKCXPIHBITWHL-UHFFFAOYSA-N -1 1 369.389 -0.071 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(-n2cc[nH]c2=O)c1 ZINC000823136316 607209919 /nfs/dbraw/zinc/20/99/19/607209919.db2.gz VIIJYTFLQNEIPR-UHFFFAOYSA-N -1 1 352.318 -0.012 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(Cn2cncn2)c1 ZINC000823136324 607209120 /nfs/dbraw/zinc/20/91/20/607209120.db2.gz VULDTCTWAJDCKN-UHFFFAOYSA-N -1 1 351.334 -0.263 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000823136334 607216320 /nfs/dbraw/zinc/21/63/20/607216320.db2.gz WGKUWSBGDUAYQV-UHFFFAOYSA-N -1 1 354.334 -0.160 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(N2CCCC2=O)cn1 ZINC000823136349 607449944 /nfs/dbraw/zinc/44/99/44/607449944.db2.gz XFTMDQBRPLGVOD-UHFFFAOYSA-N -1 1 354.334 -0.381 20 0 FBADMM O=C(NCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCC1 ZINC000823191352 606435887 /nfs/dbraw/zinc/43/58/87/606435887.db2.gz KERULKDZZXBMKB-UHFFFAOYSA-N -1 1 365.419 -0.154 20 0 FBADMM O=C(NCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCC1 ZINC000823191352 606435884 /nfs/dbraw/zinc/43/58/84/606435884.db2.gz KERULKDZZXBMKB-UHFFFAOYSA-N -1 1 365.419 -0.154 20 0 FBADMM O=C(NCCN1CCS(=O)(=O)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823198075 606535684 /nfs/dbraw/zinc/53/56/84/606535684.db2.gz YJQBXHAMJYSOTL-UHFFFAOYSA-N -1 1 356.433 -0.612 20 0 FBADMM O=C(NCCN1CCS(=O)(=O)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823198075 606535682 /nfs/dbraw/zinc/53/56/82/606535682.db2.gz YJQBXHAMJYSOTL-UHFFFAOYSA-N -1 1 356.433 -0.612 20 0 FBADMM O=C(NCCNS(=O)(=O)c1cccnc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823201520 607502570 /nfs/dbraw/zinc/50/25/70/607502570.db2.gz IORRJQVPQGKQEJ-UHFFFAOYSA-N -1 1 374.386 -0.635 20 0 FBADMM O=C(NCCNS(=O)(=O)c1cccnc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823201520 607502568 /nfs/dbraw/zinc/50/25/68/607502568.db2.gz IORRJQVPQGKQEJ-UHFFFAOYSA-N -1 1 374.386 -0.635 20 0 FBADMM O=C(NCCS(=O)(=O)N1CCOCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823220113 606541860 /nfs/dbraw/zinc/54/18/60/606541860.db2.gz XVLPYLKQGWMBFR-UHFFFAOYSA-N -1 1 372.432 -0.680 20 0 FBADMM O=C(NCCS(=O)(=O)N1CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823220113 606541858 /nfs/dbraw/zinc/54/18/58/606541858.db2.gz XVLPYLKQGWMBFR-UHFFFAOYSA-N -1 1 372.432 -0.680 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000823261913 607209844 /nfs/dbraw/zinc/20/98/44/607209844.db2.gz WUOICMDEESYVKV-LLVKDONJSA-N -1 1 371.361 -0.641 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H]1C(=O)NCc1ccco1 ZINC000823261916 607209718 /nfs/dbraw/zinc/20/97/18/607209718.db2.gz WUOICMDEESYVKV-NSHDSACASA-N -1 1 371.361 -0.641 20 0 FBADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000823290062 606533527 /nfs/dbraw/zinc/53/35/27/606533527.db2.gz TWBRHLYCWFISML-UHFFFAOYSA-N -1 1 361.347 -0.974 20 0 FBADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000823290062 606533526 /nfs/dbraw/zinc/53/35/26/606533526.db2.gz TWBRHLYCWFISML-UHFFFAOYSA-N -1 1 361.347 -0.974 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000823383181 607207769 /nfs/dbraw/zinc/20/77/69/607207769.db2.gz NEBFJHXXOIHJOY-MRVPVSSYSA-N -1 1 374.390 -0.456 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000823383183 607207833 /nfs/dbraw/zinc/20/78/33/607207833.db2.gz NEBFJHXXOIHJOY-QMMMGPOBSA-N -1 1 374.390 -0.456 20 0 FBADMM O=C(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000823460864 606682167 /nfs/dbraw/zinc/68/21/67/606682167.db2.gz YEBBVSAKDJRWPX-SECBINFHSA-N -1 1 363.288 -0.128 20 0 FBADMM O=C(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000823460865 606682208 /nfs/dbraw/zinc/68/22/08/606682208.db2.gz YEBBVSAKDJRWPX-VIFPVBQESA-N -1 1 363.288 -0.128 20 0 FBADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(CCn2cncn2)CC1 ZINC000823477791 606570603 /nfs/dbraw/zinc/57/06/03/606570603.db2.gz CAZKWCCMUQFBFS-UHFFFAOYSA-N -1 1 354.378 -0.689 20 0 FBADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(CCn2cncn2)CC1 ZINC000823477791 606570601 /nfs/dbraw/zinc/57/06/01/606570601.db2.gz CAZKWCCMUQFBFS-UHFFFAOYSA-N -1 1 354.378 -0.689 20 0 FBADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(CCn2cncn2)CC1 ZINC000823483945 606570543 /nfs/dbraw/zinc/57/05/43/606570543.db2.gz PSEDQUOAKYJEGU-UHFFFAOYSA-N -1 1 359.419 -0.022 20 0 FBADMM O=C(c1nc[nH]n1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823498406 607508828 /nfs/dbraw/zinc/50/88/28/607508828.db2.gz OJMNDNFEOWMVIM-UHFFFAOYSA-N -1 1 356.350 -0.187 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000823521125 607209315 /nfs/dbraw/zinc/20/93/15/607209315.db2.gz QJTRYCHGZQUOSD-GFCCVEGCSA-N -1 1 367.373 -0.452 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000823521126 607209294 /nfs/dbraw/zinc/20/92/94/607209294.db2.gz QJTRYCHGZQUOSD-LBPRGKRZSA-N -1 1 367.373 -0.452 20 0 FBADMM O=C1C[C@@H](O)CN1CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823521268 606998820 /nfs/dbraw/zinc/99/88/20/606998820.db2.gz UORSUOWCZBVFIH-LLVKDONJSA-N -1 1 374.405 -0.595 20 0 FBADMM O=C1C[C@H](O)CN1CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823521269 606998923 /nfs/dbraw/zinc/99/89/23/606998923.db2.gz UORSUOWCZBVFIH-NSHDSACASA-N -1 1 374.405 -0.595 20 0 FBADMM O=C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccncc2N1 ZINC000823536023 606472447 /nfs/dbraw/zinc/47/24/47/606472447.db2.gz PGTOPXLZFWEBFB-UHFFFAOYSA-N -1 1 358.343 -0.196 20 0 FBADMM O=C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccncc2N1 ZINC000823536023 606472445 /nfs/dbraw/zinc/47/24/45/606472445.db2.gz PGTOPXLZFWEBFB-UHFFFAOYSA-N -1 1 358.343 -0.196 20 0 FBADMM O=C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]2CCCC[C@@H]2N1 ZINC000823536052 606943759 /nfs/dbraw/zinc/94/37/59/606943759.db2.gz QBPFMNCVUSNVDT-CMPLNLGQSA-N -1 1 363.403 -0.307 20 0 FBADMM O=C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]2CCCC[C@@H]2N1 ZINC000823536052 606943758 /nfs/dbraw/zinc/94/37/58/606943758.db2.gz QBPFMNCVUSNVDT-CMPLNLGQSA-N -1 1 363.403 -0.307 20 0 FBADMM O=C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H]2CCCC[C@@H]2N1 ZINC000823536053 606943810 /nfs/dbraw/zinc/94/38/10/606943810.db2.gz QBPFMNCVUSNVDT-JQWIXIFHSA-N -1 1 363.403 -0.307 20 0 FBADMM O=C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H]2CCCC[C@@H]2N1 ZINC000823536053 606943809 /nfs/dbraw/zinc/94/38/09/606943809.db2.gz QBPFMNCVUSNVDT-JQWIXIFHSA-N -1 1 363.403 -0.307 20 0 FBADMM O=C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H]2CCCC[C@H]2N1 ZINC000823536054 606943714 /nfs/dbraw/zinc/94/37/14/606943714.db2.gz QBPFMNCVUSNVDT-PWSUYJOCSA-N -1 1 363.403 -0.307 20 0 FBADMM O=C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H]2CCCC[C@H]2N1 ZINC000823536054 606943713 /nfs/dbraw/zinc/94/37/13/606943713.db2.gz QBPFMNCVUSNVDT-PWSUYJOCSA-N -1 1 363.403 -0.307 20 0 FBADMM O=C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]2CCCC[C@H]2N1 ZINC000823536055 606944003 /nfs/dbraw/zinc/94/40/03/606944003.db2.gz QBPFMNCVUSNVDT-ZYHUDNBSSA-N -1 1 363.403 -0.307 20 0 FBADMM O=C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]2CCCC[C@H]2N1 ZINC000823536055 606944002 /nfs/dbraw/zinc/94/40/02/606944002.db2.gz QBPFMNCVUSNVDT-ZYHUDNBSSA-N -1 1 363.403 -0.307 20 0 FBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)N1CCNC(=O)C1 ZINC000823536144 606822486 /nfs/dbraw/zinc/82/24/86/606822486.db2.gz TZJZGRWBOJTJGP-UHFFFAOYSA-N -1 1 353.342 -0.860 20 0 FBADMM O=C(NN1CC(=O)[N-]C1=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823536192 599312881 /nfs/dbraw/zinc/31/28/81/599312881.db2.gz VFMKEHSVLKHETK-LLVKDONJSA-N -1 1 356.346 -0.582 20 0 FBADMM O=C(NN1CC(=O)[N-]C1=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823536193 599312396 /nfs/dbraw/zinc/31/23/96/599312396.db2.gz VFMKEHSVLKHETK-NSHDSACASA-N -1 1 356.346 -0.582 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000823536228 607207772 /nfs/dbraw/zinc/20/77/72/607207772.db2.gz XEMGEKIJJSBWSN-UHFFFAOYSA-N -1 1 368.361 -0.967 20 0 FBADMM O=C1NC[C@@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)CCN12 ZINC000823540380 606437587 /nfs/dbraw/zinc/43/75/87/606437587.db2.gz BYCVIJQXIZWEHA-MRVPVSSYSA-N -1 1 367.366 -0.596 20 0 FBADMM O=C1NC[C@@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)CCN12 ZINC000823540380 606437585 /nfs/dbraw/zinc/43/75/85/606437585.db2.gz BYCVIJQXIZWEHA-MRVPVSSYSA-N -1 1 367.366 -0.596 20 0 FBADMM O=C1NC[C@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)CCN12 ZINC000823540381 606437516 /nfs/dbraw/zinc/43/75/16/606437516.db2.gz BYCVIJQXIZWEHA-QMMMGPOBSA-N -1 1 367.366 -0.596 20 0 FBADMM O=C1NC[C@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)CCN12 ZINC000823540381 606437514 /nfs/dbraw/zinc/43/75/14/606437514.db2.gz BYCVIJQXIZWEHA-QMMMGPOBSA-N -1 1 367.366 -0.596 20 0 FBADMM O=C1NC[C@H]2CN(c3cc(-c4nn[n-]n4)nc4ccccc43)CCN2C1=O ZINC000823540644 607173899 /nfs/dbraw/zinc/17/38/99/607173899.db2.gz IQHKIGAWSUVIPX-JTQLQIEISA-N -1 1 364.369 -0.438 20 0 FBADMM O=C1NC[C@H]2CN(c3cc(-c4nnn[n-]4)nc4ccccc43)CCN2C1=O ZINC000823540644 607173898 /nfs/dbraw/zinc/17/38/98/607173898.db2.gz IQHKIGAWSUVIPX-JTQLQIEISA-N -1 1 364.369 -0.438 20 0 FBADMM O=C1NC[C@@H]2CN(c3cc(-c4nn[n-]n4)nc4ccccc43)CCN2C1=O ZINC000823540645 607174162 /nfs/dbraw/zinc/17/41/62/607174162.db2.gz IQHKIGAWSUVIPX-SNVBAGLBSA-N -1 1 364.369 -0.438 20 0 FBADMM O=C1NC[C@@H]2CN(c3cc(-c4nnn[n-]4)nc4ccccc43)CCN2C1=O ZINC000823540645 607174161 /nfs/dbraw/zinc/17/41/61/607174161.db2.gz IQHKIGAWSUVIPX-SNVBAGLBSA-N -1 1 364.369 -0.438 20 0 FBADMM O=C1NC[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)CCN12 ZINC000823540706 606845837 /nfs/dbraw/zinc/84/58/37/606845837.db2.gz KCFOTJHGLPRXSW-SECBINFHSA-N -1 1 367.366 -0.596 20 0 FBADMM O=C1NC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)CCN12 ZINC000823540842 606845690 /nfs/dbraw/zinc/84/56/90/606845690.db2.gz KCFOTJHGLPRXSW-VIFPVBQESA-N -1 1 367.366 -0.596 20 0 FBADMM O=C1NC[C@@H]2CN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)CCN12 ZINC000823541928 606437423 /nfs/dbraw/zinc/43/74/23/606437423.db2.gz UTGXXLCMSKXMSV-MRVPVSSYSA-N -1 1 367.366 -0.596 20 0 FBADMM O=C1NC[C@H]2CN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)CCN12 ZINC000823541929 606437438 /nfs/dbraw/zinc/43/74/38/606437438.db2.gz UTGXXLCMSKXMSV-QMMMGPOBSA-N -1 1 367.366 -0.596 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000823546412 607220595 /nfs/dbraw/zinc/22/05/95/607220595.db2.gz CKUMCNQROBNVJX-JTQLQIEISA-N -1 1 359.375 -0.781 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCNC(=O)[C@H]1c1cccs1 ZINC000823546417 607220538 /nfs/dbraw/zinc/22/05/38/607220538.db2.gz CKUMCNQROBNVJX-SNVBAGLBSA-N -1 1 359.375 -0.781 20 0 FBADMM O=C1NC[C@@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)CCN2C1=O ZINC000823547927 607173942 /nfs/dbraw/zinc/17/39/42/607173942.db2.gz QTWUUYHNLBDXBQ-RXMQYKEDSA-N -1 1 354.783 -0.876 20 0 FBADMM O=C1NC[C@@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)CCN2C1=O ZINC000823547927 607173941 /nfs/dbraw/zinc/17/39/41/607173941.db2.gz QTWUUYHNLBDXBQ-RXMQYKEDSA-N -1 1 354.783 -0.876 20 0 FBADMM O=C1NC[C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)CCN2C1=O ZINC000823547928 607174055 /nfs/dbraw/zinc/17/40/55/607174055.db2.gz QTWUUYHNLBDXBQ-YFKPBYRVSA-N -1 1 354.783 -0.876 20 0 FBADMM O=C1NC[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)CCN2C1=O ZINC000823547928 607174054 /nfs/dbraw/zinc/17/40/54/607174054.db2.gz QTWUUYHNLBDXBQ-YFKPBYRVSA-N -1 1 354.783 -0.876 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000823548024 607212270 /nfs/dbraw/zinc/21/22/70/607212270.db2.gz RMYKOMSKSLLGKT-GFCCVEGCSA-N -1 1 353.346 -0.842 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000823548025 607212366 /nfs/dbraw/zinc/21/23/66/607212366.db2.gz RMYKOMSKSLLGKT-LBPRGKRZSA-N -1 1 353.346 -0.842 20 0 FBADMM O=C1OC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)CCN12 ZINC000823551407 606878788 /nfs/dbraw/zinc/87/87/88/606878788.db2.gz PNGBEKQCTVABHI-SECBINFHSA-N -1 1 368.350 -0.169 20 0 FBADMM O=C1OC[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)CCN12 ZINC000823551408 606879012 /nfs/dbraw/zinc/87/90/12/606879012.db2.gz PNGBEKQCTVABHI-VIFPVBQESA-N -1 1 368.350 -0.169 20 0 FBADMM O=C1OC[C@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)CCN12 ZINC000823551508 606878984 /nfs/dbraw/zinc/87/89/84/606878984.db2.gz TVYPXNSJIUUZTO-MRVPVSSYSA-N -1 1 368.350 -0.169 20 0 FBADMM O=C1OC[C@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)CCN12 ZINC000823551508 606878983 /nfs/dbraw/zinc/87/89/83/606878983.db2.gz TVYPXNSJIUUZTO-MRVPVSSYSA-N -1 1 368.350 -0.169 20 0 FBADMM O=C1OC[C@@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)CCN12 ZINC000823551509 606879156 /nfs/dbraw/zinc/87/91/56/606879156.db2.gz TVYPXNSJIUUZTO-QMMMGPOBSA-N -1 1 368.350 -0.169 20 0 FBADMM O=C1OC[C@@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)CCN12 ZINC000823551509 606879154 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FBADMM CC(=O)c1ccc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)nc1C ZINC000824024514 608076736 /nfs/dbraw/zinc/07/67/36/608076736.db2.gz HWYAZWQIBGUHNI-UHFFFAOYSA-N -1 1 370.373 -0.218 20 0 FBADMM CC(C)(O)CN1CCN(C(=O)NCCCN2CCN(C(=O)[O-])CC2)CC1 ZINC000824034368 604412923 /nfs/dbraw/zinc/41/29/23/604412923.db2.gz CASICSYKLILHJO-UHFFFAOYSA-N -1 1 371.482 -0.230 20 0 FBADMM CC(C)(O)CN1CCN(C(=O)NCCN2CCN(C(=O)[O-])CC2)CC1 ZINC000824034845 604412786 /nfs/dbraw/zinc/41/27/86/604412786.db2.gz ISTWZMMCMAQYFO-UHFFFAOYSA-N -1 1 357.455 -0.620 20 0 FBADMM CC(C)(O)CN1CCN(CN2C[C@H]3CN(C(=O)[O-])CCN3C2=O)CC1 ZINC000824035658 603604119 /nfs/dbraw/zinc/60/41/19/603604119.db2.gz XOAPGKJBNQYHDQ-CYBMUJFWSA-N -1 1 355.439 -0.568 20 0 FBADMM CC(C)(O)CN1CCN(CN2C[C@@H]3CN(C(=O)[O-])CCN3C2=O)CC1 ZINC000824035659 603604774 /nfs/dbraw/zinc/60/47/74/603604774.db2.gz XOAPGKJBNQYHDQ-ZDUSSCGKSA-N -1 1 355.439 -0.568 20 0 FBADMM C[C@@H](C(N)=O)N(C)CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000824052346 608269070 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CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCC2(O)CCC2)n1 ZINC000824148049 608352929 /nfs/dbraw/zinc/35/29/29/608352929.db2.gz LMXANGDBRDKVFT-UHFFFAOYSA-N -1 1 362.394 -0.212 20 0 FBADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCC2(CO)CC2)n1 ZINC000824148064 608353947 /nfs/dbraw/zinc/35/39/47/608353947.db2.gz MHAKIEDDSVLUHX-UHFFFAOYSA-N -1 1 362.394 -0.355 20 0 FBADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCC2(CO)CC2)n1 ZINC000824148064 608353946 /nfs/dbraw/zinc/35/39/46/608353946.db2.gz MHAKIEDDSVLUHX-UHFFFAOYSA-N -1 1 362.394 -0.355 20 0 FBADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCn2cccn2)n1 ZINC000824148152 608349568 /nfs/dbraw/zinc/34/95/68/608349568.db2.gz NJYVNCVDUBKZFD-UHFFFAOYSA-N -1 1 372.393 -0.230 20 0 FBADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCn2cccn2)n1 ZINC000824148152 608349566 /nfs/dbraw/zinc/34/95/66/608349566.db2.gz NJYVNCVDUBKZFD-UHFFFAOYSA-N -1 1 372.393 -0.230 20 0 FBADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCC(C)(C)CO)n1 ZINC000824162819 608357605 /nfs/dbraw/zinc/35/76/05/608357605.db2.gz PHTJRIVOBIMFDH-UHFFFAOYSA-N -1 1 364.410 -0.109 20 0 FBADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCC(C)(C)CO)n1 ZINC000824162819 608357604 /nfs/dbraw/zinc/35/76/04/608357604.db2.gz PHTJRIVOBIMFDH-UHFFFAOYSA-N -1 1 364.410 -0.109 20 0 FBADMM CC(C)(O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000824172679 607629951 /nfs/dbraw/zinc/62/99/51/607629951.db2.gz OFIZDHXWEFVBAQ-UHFFFAOYSA-N -1 1 367.435 -0.661 20 0 FBADMM CC(C)(O)CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000824172679 607629950 /nfs/dbraw/zinc/62/99/50/607629950.db2.gz OFIZDHXWEFVBAQ-UHFFFAOYSA-N -1 1 367.435 -0.661 20 0 FBADMM CC(C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824172964 608353007 /nfs/dbraw/zinc/35/30/07/608353007.db2.gz RQXOARVDTJRMJU-UHFFFAOYSA-N -1 1 350.383 -0.356 20 0 FBADMM CC(C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824172964 608353005 /nfs/dbraw/zinc/35/30/05/608353005.db2.gz RQXOARVDTJRMJU-UHFFFAOYSA-N -1 1 350.383 -0.356 20 0 FBADMM CC(C)C(=O)NCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824178590 607907334 /nfs/dbraw/zinc/90/73/34/607907334.db2.gz YXLMRZMYAGRGHS-UHFFFAOYSA-N -1 1 353.408 -0.298 20 0 FBADMM CC(C)C(=O)NCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824178590 607907333 /nfs/dbraw/zinc/90/73/33/607907333.db2.gz YXLMRZMYAGRGHS-UHFFFAOYSA-N -1 1 353.408 -0.298 20 0 FBADMM CC(C)C(=O)NCCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824184022 608445862 /nfs/dbraw/zinc/44/58/62/608445862.db2.gz BSEXPJBOCXXISH-UHFFFAOYSA-N -1 1 353.408 -0.346 20 0 FBADMM CC(C)C(=O)NCCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824184022 608445860 /nfs/dbraw/zinc/44/58/60/608445860.db2.gz BSEXPJBOCXXISH-UHFFFAOYSA-N -1 1 353.408 -0.346 20 0 FBADMM CC(C)[C@H](O)C(C)(C)CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000824199375 607819812 /nfs/dbraw/zinc/81/98/12/607819812.db2.gz IWPUPSZTPZQRSX-JTQLQIEISA-N -1 1 351.411 -0.281 20 0 FBADMM CC(C)[C@@H](O)C(C)(C)CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000824199376 607819914 /nfs/dbraw/zinc/81/99/14/607819914.db2.gz IWPUPSZTPZQRSX-SNVBAGLBSA-N -1 1 351.411 -0.281 20 0 FBADMM CC(C)[C@@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824206826 608354224 /nfs/dbraw/zinc/35/42/24/608354224.db2.gz JMLACCQMAXRUSG-JTQLQIEISA-N -1 1 364.410 -0.110 20 0 FBADMM CC(C)[C@@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824206826 608354222 /nfs/dbraw/zinc/35/42/22/608354222.db2.gz JMLACCQMAXRUSG-JTQLQIEISA-N -1 1 364.410 -0.110 20 0 FBADMM CC(C)[C@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824206827 608354242 /nfs/dbraw/zinc/35/42/42/608354242.db2.gz JMLACCQMAXRUSG-SNVBAGLBSA-N -1 1 364.410 -0.110 20 0 FBADMM CC(C)[C@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824206827 608354241 /nfs/dbraw/zinc/35/42/41/608354241.db2.gz JMLACCQMAXRUSG-SNVBAGLBSA-N -1 1 364.410 -0.110 20 0 FBADMM O=C(Nc1cccc(CN2CCCS2(=O)=O)c1)NN1CC(=O)[N-]C1=O ZINC000824240674 661099061 /nfs/dbraw/zinc/09/90/61/661099061.db2.gz MTWZZJYYJKTXDL-UHFFFAOYSA-N -1 1 367.387 -0.190 20 0 FBADMM CC(C)CN(C(=O)Cn1ccnc1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000824249149 608891661 /nfs/dbraw/zinc/89/16/61/608891661.db2.gz IJAABTSCZGHLBX-LLVKDONJSA-N -1 1 367.435 -0.265 20 0 FBADMM CC(C)CN(C(=O)Cn1ccnc1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000824249149 608891660 /nfs/dbraw/zinc/89/16/60/608891660.db2.gz IJAABTSCZGHLBX-LLVKDONJSA-N -1 1 367.435 -0.265 20 0 FBADMM CC(C)CN(C(=O)Cn1ccnc1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000824249150 608891495 /nfs/dbraw/zinc/89/14/95/608891495.db2.gz IJAABTSCZGHLBX-NSHDSACASA-N -1 1 367.435 -0.265 20 0 FBADMM CC(C)CN(C(=O)Cn1ccnc1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000824249150 608891491 /nfs/dbraw/zinc/89/14/91/608891491.db2.gz IJAABTSCZGHLBX-NSHDSACASA-N -1 1 367.435 -0.265 20 0 FBADMM CC(C)COC[C@@H](O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824270698 607626217 /nfs/dbraw/zinc/62/62/17/607626217.db2.gz FCKXBSOMJYEJPI-JTQLQIEISA-N -1 1 356.408 -0.427 20 0 FBADMM CC(C)COC[C@@H](O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824270698 607626216 /nfs/dbraw/zinc/62/62/16/607626216.db2.gz FCKXBSOMJYEJPI-JTQLQIEISA-N -1 1 356.408 -0.427 20 0 FBADMM CC(C)COC[C@H](O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824270705 607625940 /nfs/dbraw/zinc/62/59/40/607625940.db2.gz FCKXBSOMJYEJPI-SNVBAGLBSA-N -1 1 356.408 -0.427 20 0 FBADMM CC(C)COC[C@H](O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824270705 607625938 /nfs/dbraw/zinc/62/59/38/607625938.db2.gz FCKXBSOMJYEJPI-SNVBAGLBSA-N -1 1 356.408 -0.427 20 0 FBADMM CC(C)Cn1c(N)c(C(=O)Cn2ccnc2-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000824280005 608893633 /nfs/dbraw/zinc/89/36/33/608893633.db2.gz AOENDGBVWMJQPO-UHFFFAOYSA-N -1 1 373.377 -0.955 20 0 FBADMM CC(C)Cn1c(N)c(C(=O)Cn2ccnc2-c2nnn[n-]2)c(=O)n(C)c1=O ZINC000824280005 608893632 /nfs/dbraw/zinc/89/36/32/608893632.db2.gz AOENDGBVWMJQPO-UHFFFAOYSA-N -1 1 373.377 -0.955 20 0 FBADMM CC(C)Cn1c(N)c(C(=O)Cn2ccnc2-c2nn[n-]n2)c(=O)[nH]c1=O ZINC000824280199 608012401 /nfs/dbraw/zinc/01/24/01/608012401.db2.gz GPWRGBRLSPWGNF-UHFFFAOYSA-N -1 1 359.350 -0.553 20 0 FBADMM CC(C)Cn1c(N)c(C(=O)Cn2ccnc2-c2nnn[n-]2)c(=O)[nH]c1=O ZINC000824280199 608012400 /nfs/dbraw/zinc/01/24/00/608012400.db2.gz GPWRGBRLSPWGNF-UHFFFAOYSA-N -1 1 359.350 -0.553 20 0 FBADMM CC(C)N(C(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O)C1CCCC1 ZINC000824284588 608095565 /nfs/dbraw/zinc/09/55/65/608095565.db2.gz JVEFJJRSILCQGL-UHFFFAOYSA-N -1 1 361.406 -0.093 20 0 FBADMM CC(C)N(CCCNC(=O)Cn1ccnc1-c1nn[n-]n1)S(C)(=O)=O ZINC000824288588 608147727 /nfs/dbraw/zinc/14/77/27/608147727.db2.gz KHSKXGISLIYRGA-UHFFFAOYSA-N -1 1 370.439 -0.761 20 0 FBADMM CC(C)N(CCCNC(=O)Cn1ccnc1-c1nnn[n-]1)S(C)(=O)=O ZINC000824288588 608147726 /nfs/dbraw/zinc/14/77/26/608147726.db2.gz KHSKXGISLIYRGA-UHFFFAOYSA-N -1 1 370.439 -0.761 20 0 FBADMM CC(C)N(CCS(C)(=O)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824288966 607811444 /nfs/dbraw/zinc/81/14/44/607811444.db2.gz RUERMBAXUPCJPA-UHFFFAOYSA-N -1 1 374.448 -0.295 20 0 FBADMM CC(C)N(CCS(C)(=O)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824288966 607811443 /nfs/dbraw/zinc/81/14/43/607811443.db2.gz RUERMBAXUPCJPA-UHFFFAOYSA-N -1 1 374.448 -0.295 20 0 FBADMM CC(C)N1C(=O)N[C@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)C1=O ZINC000824296453 607413642 /nfs/dbraw/zinc/41/36/42/607413642.db2.gz HOHJITOXHQHYKS-INIZCTEOSA-N -1 1 370.373 -0.193 20 0 FBADMM CC(C)N1C(=O)N[C@]2(CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)C1=O ZINC000824296453 607413641 /nfs/dbraw/zinc/41/36/41/607413641.db2.gz HOHJITOXHQHYKS-INIZCTEOSA-N -1 1 370.373 -0.193 20 0 FBADMM CC(C)N1C(=O)N[C@@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)C1=O ZINC000824296455 607413854 /nfs/dbraw/zinc/41/38/54/607413854.db2.gz HOHJITOXHQHYKS-MRXNPFEDSA-N -1 1 370.373 -0.193 20 0 FBADMM CC(C)N1C(=O)N[C@@]2(CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)C1=O ZINC000824296455 607413852 /nfs/dbraw/zinc/41/38/52/607413852.db2.gz HOHJITOXHQHYKS-MRXNPFEDSA-N -1 1 370.373 -0.193 20 0 FBADMM CC(C)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1=O ZINC000824300438 609584338 /nfs/dbraw/zinc/58/43/38/609584338.db2.gz GQRNCHLYSBXZTE-UHFFFAOYSA-N -1 1 351.392 -0.497 20 0 FBADMM CC(C)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1=O ZINC000824300438 609584336 /nfs/dbraw/zinc/58/43/36/609584336.db2.gz GQRNCHLYSBXZTE-UHFFFAOYSA-N -1 1 351.392 -0.497 20 0 FBADMM CC(C)NC(=O)C(=O)N1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000824300747 607476089 /nfs/dbraw/zinc/47/60/89/607476089.db2.gz KEGCYHOIAQTYAJ-UHFFFAOYSA-N -1 1 358.406 -0.570 20 0 FBADMM CC(C)NC(=O)C(=O)N1CCN(Cc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000824300747 607476087 /nfs/dbraw/zinc/47/60/87/607476087.db2.gz KEGCYHOIAQTYAJ-UHFFFAOYSA-N -1 1 358.406 -0.570 20 0 FBADMM CC(C)NS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000824305618 609441171 /nfs/dbraw/zinc/44/11/71/609441171.db2.gz RNEXKEBWSRKBQV-JTQLQIEISA-N -1 1 367.439 -0.590 20 0 FBADMM CC(C)NS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000824305618 609441170 /nfs/dbraw/zinc/44/11/70/609441170.db2.gz RNEXKEBWSRKBQV-JTQLQIEISA-N -1 1 367.439 -0.590 20 0 FBADMM CC(C)NS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000824305624 609441258 /nfs/dbraw/zinc/44/12/58/609441258.db2.gz RNEXKEBWSRKBQV-SNVBAGLBSA-N -1 1 367.439 -0.590 20 0 FBADMM CC(C)NS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000824305624 609441257 /nfs/dbraw/zinc/44/12/57/609441257.db2.gz RNEXKEBWSRKBQV-SNVBAGLBSA-N -1 1 367.439 -0.590 20 0 FBADMM CC(C)[C@@H](CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824337810 608356271 /nfs/dbraw/zinc/35/62/71/608356271.db2.gz ICUYXRSUJUTERX-SNVBAGLBSA-N -1 1 364.410 -0.110 20 0 FBADMM CC(C)[C@@H](CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824337810 608356269 /nfs/dbraw/zinc/35/62/69/608356269.db2.gz ICUYXRSUJUTERX-SNVBAGLBSA-N -1 1 364.410 -0.110 20 0 FBADMM CC(C)S(=O)(=O)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824338330 608210948 /nfs/dbraw/zinc/21/09/48/608210948.db2.gz XPBGHKYCNMRPQG-UHFFFAOYSA-N -1 1 370.439 -0.614 20 0 FBADMM CC(C)S(=O)(=O)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824338330 608210946 /nfs/dbraw/zinc/21/09/46/608210946.db2.gz XPBGHKYCNMRPQG-UHFFFAOYSA-N -1 1 370.439 -0.614 20 0 FBADMM CC(C)c1nnc([C@@H](C)Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)[nH]1 ZINC000824358712 608099169 /nfs/dbraw/zinc/09/91/69/608099169.db2.gz OQZCGWXKIHFOIR-SSDOTTSWSA-N -1 1 360.382 -0.321 20 0 FBADMM CC(C)c1nnc([C@H](C)Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)[nH]1 ZINC000824358713 608099186 /nfs/dbraw/zinc/09/91/86/608099186.db2.gz OQZCGWXKIHFOIR-ZETCQYMHSA-N -1 1 360.382 -0.321 20 0 FBADMM CC(C)N1CCO[C@@H](CN2CCN(C(=O)NC3CN(C(=O)[O-])C3)CC2)C1 ZINC000824363172 604614866 /nfs/dbraw/zinc/61/48/66/604614866.db2.gz PGPSNWIDSXBXPM-HNNXBMFYSA-N -1 1 369.466 -0.215 20 0 FBADMM CC(C)N1CCO[C@H](CN2CCN(C(=O)NC3CN(C(=O)[O-])C3)CC2)C1 ZINC000824363173 604614936 /nfs/dbraw/zinc/61/49/36/604614936.db2.gz PGPSNWIDSXBXPM-OAHLLOKOSA-N -1 1 369.466 -0.215 20 0 FBADMM C[C@H](C1CC1)N(C(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O)C1CC1 ZINC000824377848 608095552 /nfs/dbraw/zinc/09/55/52/608095552.db2.gz PLXDHMGOFCBOGN-SECBINFHSA-N -1 1 359.390 -0.483 20 0 FBADMM C[C@@H](C1CC1)N(C(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O)C1CC1 ZINC000824377849 608095602 /nfs/dbraw/zinc/09/56/02/608095602.db2.gz PLXDHMGOFCBOGN-VIFPVBQESA-N -1 1 359.390 -0.483 20 0 FBADMM C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000824400124 609400015 /nfs/dbraw/zinc/40/00/15/609400015.db2.gz AKIPALRVYKMYGX-SECBINFHSA-N -1 1 365.398 -0.122 20 0 FBADMM C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000824400125 609400173 /nfs/dbraw/zinc/40/01/73/609400173.db2.gz AKIPALRVYKMYGX-VIFPVBQESA-N -1 1 365.398 -0.122 20 0 FBADMM C[C@H](CCO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824406458 608354013 /nfs/dbraw/zinc/35/40/13/608354013.db2.gz KSJJWNMSMOYDJT-MRVPVSSYSA-N -1 1 350.383 -0.356 20 0 FBADMM C[C@H](CCO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824406458 608354011 /nfs/dbraw/zinc/35/40/11/608354011.db2.gz KSJJWNMSMOYDJT-MRVPVSSYSA-N -1 1 350.383 -0.356 20 0 FBADMM C[C@@H](CCO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824406459 608355922 /nfs/dbraw/zinc/35/59/22/608355922.db2.gz KSJJWNMSMOYDJT-QMMMGPOBSA-N -1 1 350.383 -0.356 20 0 FBADMM C[C@@H](CCO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824406459 608355921 /nfs/dbraw/zinc/35/59/21/608355921.db2.gz KSJJWNMSMOYDJT-QMMMGPOBSA-N -1 1 350.383 -0.356 20 0 FBADMM C[C@H](CN(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1nccs1 ZINC000824413341 661099794 /nfs/dbraw/zinc/09/97/94/661099794.db2.gz KUTMDFJWMNROHF-MRVPVSSYSA-N -1 1 362.419 -0.040 20 0 FBADMM C[C@@H](CN(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1nccs1 ZINC000824413342 661099740 /nfs/dbraw/zinc/09/97/40/661099740.db2.gz KUTMDFJWMNROHF-QMMMGPOBSA-N -1 1 362.419 -0.040 20 0 FBADMM C[C@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)CNC(=O)OC(C)(C)C ZINC000824422383 607560904 /nfs/dbraw/zinc/56/09/04/607560904.db2.gz YXVXVKCFZMPKSE-SECBINFHSA-N -1 1 365.398 -0.265 20 0 FBADMM C[C@@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)CNC(=O)OC(C)(C)C ZINC000824422384 607560539 /nfs/dbraw/zinc/56/05/39/607560539.db2.gz YXVXVKCFZMPKSE-VIFPVBQESA-N -1 1 365.398 -0.265 20 0 FBADMM C[C@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)S(C)(=O)=O ZINC000824429477 607819063 /nfs/dbraw/zinc/81/90/63/607819063.db2.gz XTHMEMWEVUJJIL-SSDOTTSWSA-N -1 1 363.396 -0.283 20 0 FBADMM C[C@@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)S(C)(=O)=O ZINC000824429478 607819256 /nfs/dbraw/zinc/81/92/56/607819256.db2.gz XTHMEMWEVUJJIL-ZETCQYMHSA-N -1 1 363.396 -0.283 20 0 FBADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)S(C)(=O)=O ZINC000824429843 607819107 /nfs/dbraw/zinc/81/91/07/607819107.db2.gz ZKFFETSRAGPYJH-SSDOTTSWSA-N -1 1 363.396 -0.283 20 0 FBADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)S(C)(=O)=O ZINC000824429843 607819106 /nfs/dbraw/zinc/81/91/06/607819106.db2.gz ZKFFETSRAGPYJH-SSDOTTSWSA-N -1 1 363.396 -0.283 20 0 FBADMM C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)S(C)(=O)=O ZINC000824429844 607819104 /nfs/dbraw/zinc/81/91/04/607819104.db2.gz ZKFFETSRAGPYJH-ZETCQYMHSA-N -1 1 363.396 -0.283 20 0 FBADMM C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)S(C)(=O)=O ZINC000824429844 607819103 /nfs/dbraw/zinc/81/91/03/607819103.db2.gz ZKFFETSRAGPYJH-ZETCQYMHSA-N -1 1 363.396 -0.283 20 0 FBADMM C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824433990 608354218 /nfs/dbraw/zinc/35/42/18/608354218.db2.gz IZFZAJRBIUOPCO-BDAKNGLRSA-N -1 1 364.410 -0.110 20 0 FBADMM C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824433990 608354216 /nfs/dbraw/zinc/35/42/16/608354216.db2.gz IZFZAJRBIUOPCO-BDAKNGLRSA-N -1 1 364.410 -0.110 20 0 FBADMM C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824433993 608354398 /nfs/dbraw/zinc/35/43/98/608354398.db2.gz IZFZAJRBIUOPCO-DTWKUNHWSA-N -1 1 364.410 -0.110 20 0 FBADMM C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824433993 608354396 /nfs/dbraw/zinc/35/43/96/608354396.db2.gz IZFZAJRBIUOPCO-DTWKUNHWSA-N -1 1 364.410 -0.110 20 0 FBADMM C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824433997 608354314 /nfs/dbraw/zinc/35/43/14/608354314.db2.gz IZFZAJRBIUOPCO-IUCAKERBSA-N -1 1 364.410 -0.110 20 0 FBADMM C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824433997 608354313 /nfs/dbraw/zinc/35/43/13/608354313.db2.gz IZFZAJRBIUOPCO-IUCAKERBSA-N -1 1 364.410 -0.110 20 0 FBADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)[C@H](C)CO ZINC000824434003 608353934 /nfs/dbraw/zinc/35/39/34/608353934.db2.gz IZFZAJRBIUOPCO-RKDXNWHRSA-N -1 1 364.410 -0.110 20 0 FBADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)[C@H](C)CO ZINC000824434003 608353932 /nfs/dbraw/zinc/35/39/32/608353932.db2.gz IZFZAJRBIUOPCO-RKDXNWHRSA-N -1 1 364.410 -0.110 20 0 FBADMM CS(=O)(=O)CCOc1ccc(NC(=O)NN2CC(=O)[N-]C2=O)cc1 ZINC000824440232 661099669 /nfs/dbraw/zinc/09/96/69/661099669.db2.gz XHJLKRBRJWESEW-UHFFFAOYSA-N -1 1 356.360 -0.302 20 0 FBADMM C[C@H](CO)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824442906 609352460 /nfs/dbraw/zinc/35/24/60/609352460.db2.gz YUNKSZVXSFOJAX-MRVPVSSYSA-N -1 1 374.336 -0.373 20 0 FBADMM C[C@@H](CO)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824442908 609367368 /nfs/dbraw/zinc/36/73/68/609367368.db2.gz YUNKSZVXSFOJAX-QMMMGPOBSA-N -1 1 374.336 -0.373 20 0 FBADMM C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824449298 607937244 /nfs/dbraw/zinc/93/72/44/607937244.db2.gz NLRSPGOTUHNVND-SSDOTTSWSA-N -1 1 363.396 -0.283 20 0 FBADMM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824449299 607937141 /nfs/dbraw/zinc/93/71/41/607937141.db2.gz NLRSPGOTUHNVND-ZETCQYMHSA-N -1 1 363.396 -0.283 20 0 FBADMM C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824450483 607937257 /nfs/dbraw/zinc/93/72/57/607937257.db2.gz WPXLXKBEGYMPIP-SSDOTTSWSA-N -1 1 363.396 -0.283 20 0 FBADMM C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824450483 607937256 /nfs/dbraw/zinc/93/72/56/607937256.db2.gz WPXLXKBEGYMPIP-SSDOTTSWSA-N -1 1 363.396 -0.283 20 0 FBADMM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824450484 607937332 /nfs/dbraw/zinc/93/73/32/607937332.db2.gz WPXLXKBEGYMPIP-ZETCQYMHSA-N -1 1 363.396 -0.283 20 0 FBADMM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824450484 607937331 /nfs/dbraw/zinc/93/73/31/607937331.db2.gz WPXLXKBEGYMPIP-ZETCQYMHSA-N -1 1 363.396 -0.283 20 0 FBADMM C[C@H](Cn1cncn1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824463709 609302341 /nfs/dbraw/zinc/30/23/41/609302341.db2.gz BPZMBPXUSCISLQ-SECBINFHSA-N -1 1 374.413 -0.574 20 0 FBADMM C[C@H](Cn1cncn1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824463709 609302339 /nfs/dbraw/zinc/30/23/39/609302339.db2.gz BPZMBPXUSCISLQ-SECBINFHSA-N -1 1 374.413 -0.574 20 0 FBADMM C[C@@H](Cn1cncn1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824463710 609301994 /nfs/dbraw/zinc/30/19/94/609301994.db2.gz BPZMBPXUSCISLQ-VIFPVBQESA-N -1 1 374.413 -0.574 20 0 FBADMM C[C@@H](Cn1cncn1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824463710 609301992 /nfs/dbraw/zinc/30/19/92/609301992.db2.gz BPZMBPXUSCISLQ-VIFPVBQESA-N -1 1 374.413 -0.574 20 0 FBADMM C[C@H](Cn1cncn1)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824465289 607607693 /nfs/dbraw/zinc/60/76/93/607607693.db2.gz NXZMMJFCCKFUCM-MRVPVSSYSA-N -1 1 352.355 -0.036 20 0 FBADMM C[C@H](Cn1cncn1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824465289 607607691 /nfs/dbraw/zinc/60/76/91/607607691.db2.gz NXZMMJFCCKFUCM-MRVPVSSYSA-N -1 1 352.355 -0.036 20 0 FBADMM C[C@@H](Cn1cncn1)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824465290 607607842 /nfs/dbraw/zinc/60/78/42/607607842.db2.gz NXZMMJFCCKFUCM-QMMMGPOBSA-N -1 1 352.355 -0.036 20 0 FBADMM C[C@@H](Cn1cncn1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824465290 607607840 /nfs/dbraw/zinc/60/78/40/607607840.db2.gz NXZMMJFCCKFUCM-QMMMGPOBSA-N -1 1 352.355 -0.036 20 0 FBADMM C[C@H](Cn1cncn1)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824466066 607607629 /nfs/dbraw/zinc/60/76/29/607607629.db2.gz VNFOOCZQIMCYSU-MRVPVSSYSA-N -1 1 352.355 -0.036 20 0 FBADMM C[C@@H](Cn1cncn1)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824466067 607607986 /nfs/dbraw/zinc/60/79/86/607607986.db2.gz VNFOOCZQIMCYSU-QMMMGPOBSA-N -1 1 352.355 -0.036 20 0 FBADMM C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N(C)C ZINC000824489107 609303202 /nfs/dbraw/zinc/30/32/02/609303202.db2.gz IZEDAOQNXJZXBI-MRVPVSSYSA-N -1 1 364.414 -0.777 20 0 FBADMM C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N(C)C ZINC000824489107 609303200 /nfs/dbraw/zinc/30/32/00/609303200.db2.gz IZEDAOQNXJZXBI-MRVPVSSYSA-N -1 1 364.414 -0.777 20 0 FBADMM C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N(C)C ZINC000824489108 609299962 /nfs/dbraw/zinc/29/99/62/609299962.db2.gz IZEDAOQNXJZXBI-QMMMGPOBSA-N -1 1 364.414 -0.777 20 0 FBADMM C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N(C)C ZINC000824489108 609299958 /nfs/dbraw/zinc/29/99/58/609299958.db2.gz IZEDAOQNXJZXBI-QMMMGPOBSA-N -1 1 364.414 -0.777 20 0 FBADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(-n2ccnn2)cc1 ZINC000824490944 607913470 /nfs/dbraw/zinc/91/34/70/607913470.db2.gz RTFMHJPKJWZXHJ-JTQLQIEISA-N -1 1 365.361 -0.084 20 0 FBADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(-n2ccnn2)cc1 ZINC000824490945 607913571 /nfs/dbraw/zinc/91/35/71/607913571.db2.gz RTFMHJPKJWZXHJ-SNVBAGLBSA-N -1 1 365.361 -0.084 20 0 FBADMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(=O)OC(C)(C)C ZINC000824650628 608235508 /nfs/dbraw/zinc/23/55/08/608235508.db2.gz UBVGXENGHUEZPR-SSDOTTSWSA-N -1 1 351.367 -0.594 20 0 FBADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(=O)OC(C)(C)C ZINC000824650630 608235414 /nfs/dbraw/zinc/23/54/14/608235414.db2.gz UBVGXENGHUEZPR-ZETCQYMHSA-N -1 1 351.367 -0.594 20 0 FBADMM C[C@@](O)(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(F)(F)F ZINC000824670339 608026369 /nfs/dbraw/zinc/02/63/69/608026369.db2.gz MEGWMMYPNYHFBH-SECBINFHSA-N -1 1 352.298 -0.147 20 0 FBADMM C[C@@](O)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC000824670339 608026368 /nfs/dbraw/zinc/02/63/68/608026368.db2.gz MEGWMMYPNYHFBH-SECBINFHSA-N -1 1 352.298 -0.147 20 0 FBADMM C[C@](O)(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(F)(F)F ZINC000824670340 608026384 /nfs/dbraw/zinc/02/63/84/608026384.db2.gz MEGWMMYPNYHFBH-VIFPVBQESA-N -1 1 352.298 -0.147 20 0 FBADMM C[C@](O)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC000824670340 608026383 /nfs/dbraw/zinc/02/63/83/608026383.db2.gz MEGWMMYPNYHFBH-VIFPVBQESA-N -1 1 352.298 -0.147 20 0 FBADMM C[C@H](O)C(=O)N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000824677044 608234558 /nfs/dbraw/zinc/23/45/58/608234558.db2.gz ACBRURJWYAADBM-JTQLQIEISA-N -1 1 354.374 -0.161 20 0 FBADMM C[C@H](O)C(=O)N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000824677044 608234557 /nfs/dbraw/zinc/23/45/57/608234557.db2.gz ACBRURJWYAADBM-JTQLQIEISA-N -1 1 354.374 -0.161 20 0 FBADMM C[C@@H](O)C(=O)N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000824677045 608234188 /nfs/dbraw/zinc/23/41/88/608234188.db2.gz ACBRURJWYAADBM-SNVBAGLBSA-N -1 1 354.374 -0.161 20 0 FBADMM C[C@@H](O)C(=O)N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000824677045 608234186 /nfs/dbraw/zinc/23/41/86/608234186.db2.gz ACBRURJWYAADBM-SNVBAGLBSA-N -1 1 354.374 -0.161 20 0 FBADMM C[C@@H](O)CCN(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824697674 608357723 /nfs/dbraw/zinc/35/77/23/608357723.db2.gz FVPUSJIRSITDPY-SECBINFHSA-N -1 1 364.410 -0.014 20 0 FBADMM C[C@@H](O)CCN(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824697674 608357721 /nfs/dbraw/zinc/35/77/21/608357721.db2.gz FVPUSJIRSITDPY-SECBINFHSA-N -1 1 364.410 -0.014 20 0 FBADMM C[C@H](O)CCN(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824697675 608357892 /nfs/dbraw/zinc/35/78/92/608357892.db2.gz FVPUSJIRSITDPY-VIFPVBQESA-N -1 1 364.410 -0.014 20 0 FBADMM C[C@H](O)CCN(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824697675 608357889 /nfs/dbraw/zinc/35/78/89/608357889.db2.gz FVPUSJIRSITDPY-VIFPVBQESA-N -1 1 364.410 -0.014 20 0 FBADMM C[C@@H](O)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824698688 608358050 /nfs/dbraw/zinc/35/80/50/608358050.db2.gz NALULLBJTIVAHX-MRVPVSSYSA-N -1 1 350.383 -0.356 20 0 FBADMM C[C@@H](O)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824698688 608358048 /nfs/dbraw/zinc/35/80/48/608358048.db2.gz NALULLBJTIVAHX-MRVPVSSYSA-N -1 1 350.383 -0.356 20 0 FBADMM C[C@H](O)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824698689 608353140 /nfs/dbraw/zinc/35/31/40/608353140.db2.gz NALULLBJTIVAHX-QMMMGPOBSA-N -1 1 350.383 -0.356 20 0 FBADMM C[C@H](O)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824698689 608353138 /nfs/dbraw/zinc/35/31/38/608353138.db2.gz NALULLBJTIVAHX-QMMMGPOBSA-N -1 1 350.383 -0.356 20 0 FBADMM C[C@@H](O)CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824706834 609367456 /nfs/dbraw/zinc/36/74/56/609367456.db2.gz KAYOIHSGHMEPMB-MRVPVSSYSA-N -1 1 374.336 -0.373 20 0 FBADMM C[C@H](O)CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824706835 609368139 /nfs/dbraw/zinc/36/81/39/609368139.db2.gz KAYOIHSGHMEPMB-QMMMGPOBSA-N -1 1 374.336 -0.373 20 0 FBADMM C[C@@H](O)CN(Cc1ccccc1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000824706910 607849328 /nfs/dbraw/zinc/84/93/28/607849328.db2.gz LTHCFDPSUOANAW-LLVKDONJSA-N -1 1 371.401 -0.349 20 0 FBADMM C[C@H](O)CN(Cc1ccccc1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000824706911 607849264 /nfs/dbraw/zinc/84/92/64/607849264.db2.gz LTHCFDPSUOANAW-NSHDSACASA-N -1 1 371.401 -0.349 20 0 FBADMM C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H]1C ZINC000824706934 607648526 /nfs/dbraw/zinc/64/85/26/607648526.db2.gz MELXEMSDTQPARJ-GHMZBOCLSA-N -1 1 367.435 -0.663 20 0 FBADMM C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H]1C ZINC000824706934 607648524 /nfs/dbraw/zinc/64/85/24/607648524.db2.gz MELXEMSDTQPARJ-GHMZBOCLSA-N -1 1 367.435 -0.663 20 0 FBADMM C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H]1C ZINC000824706935 607648052 /nfs/dbraw/zinc/64/80/52/607648052.db2.gz MELXEMSDTQPARJ-MNOVXSKESA-N -1 1 367.435 -0.663 20 0 FBADMM C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H]1C ZINC000824706935 607648051 /nfs/dbraw/zinc/64/80/51/607648051.db2.gz MELXEMSDTQPARJ-MNOVXSKESA-N -1 1 367.435 -0.663 20 0 FBADMM C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1C ZINC000824706936 607648825 /nfs/dbraw/zinc/64/88/25/607648825.db2.gz MELXEMSDTQPARJ-QWRGUYRKSA-N -1 1 367.435 -0.663 20 0 FBADMM C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1C ZINC000824706936 607648823 /nfs/dbraw/zinc/64/88/23/607648823.db2.gz MELXEMSDTQPARJ-QWRGUYRKSA-N -1 1 367.435 -0.663 20 0 FBADMM C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1C ZINC000824706937 607648957 /nfs/dbraw/zinc/64/89/57/607648957.db2.gz MELXEMSDTQPARJ-WDEREUQCSA-N -1 1 367.435 -0.663 20 0 FBADMM C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1C ZINC000824706937 607648955 /nfs/dbraw/zinc/64/89/55/607648955.db2.gz MELXEMSDTQPARJ-WDEREUQCSA-N -1 1 367.435 -0.663 20 0 FBADMM C[C@H](O)CN1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000824707372 607631895 /nfs/dbraw/zinc/63/18/95/607631895.db2.gz RDFTWOXRPYBNIE-JTQLQIEISA-N -1 1 370.410 -0.307 20 0 FBADMM C[C@H](O)CN1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000824707372 607631893 /nfs/dbraw/zinc/63/18/93/607631893.db2.gz RDFTWOXRPYBNIE-JTQLQIEISA-N -1 1 370.410 -0.307 20 0 FBADMM C[C@@H](O)CN1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000824707373 607632069 /nfs/dbraw/zinc/63/20/69/607632069.db2.gz RDFTWOXRPYBNIE-SNVBAGLBSA-N -1 1 370.410 -0.307 20 0 FBADMM C[C@@H](O)CN1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000824707373 607632068 /nfs/dbraw/zinc/63/20/68/607632068.db2.gz RDFTWOXRPYBNIE-SNVBAGLBSA-N -1 1 370.410 -0.307 20 0 FBADMM C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000824708082 607632120 /nfs/dbraw/zinc/63/21/20/607632120.db2.gz WXRVVWLGRQKJDY-JTQLQIEISA-N -1 1 370.410 -0.307 20 0 FBADMM C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000824708085 607632077 /nfs/dbraw/zinc/63/20/77/607632077.db2.gz WXRVVWLGRQKJDY-SNVBAGLBSA-N -1 1 370.410 -0.307 20 0 FBADMM CC1(C)C(=O)NCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824783657 607611723 /nfs/dbraw/zinc/61/17/23/607611723.db2.gz IBJGDWMVNBMOSD-UHFFFAOYSA-N -1 1 354.367 -0.095 20 0 FBADMM CC1(C)C(=O)NCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824783657 607611721 /nfs/dbraw/zinc/61/17/21/607611721.db2.gz IBJGDWMVNBMOSD-UHFFFAOYSA-N -1 1 354.367 -0.095 20 0 FBADMM CC1(C)C(=O)NCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824784297 607611433 /nfs/dbraw/zinc/61/14/33/607611433.db2.gz QLAPSGSFBVAFSZ-UHFFFAOYSA-N -1 1 354.367 -0.095 20 0 FBADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CC[C@](C)(O)C2)n1 ZINC000824843991 608356088 /nfs/dbraw/zinc/35/60/88/608356088.db2.gz MAUISIHPCINLJO-HNNXBMFYSA-N -1 1 362.394 -0.260 20 0 FBADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CC[C@](C)(O)C2)n1 ZINC000824843991 608356086 /nfs/dbraw/zinc/35/60/86/608356086.db2.gz MAUISIHPCINLJO-HNNXBMFYSA-N -1 1 362.394 -0.260 20 0 FBADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CC[C@@](C)(O)C2)n1 ZINC000824843992 608355937 /nfs/dbraw/zinc/35/59/37/608355937.db2.gz MAUISIHPCINLJO-OAHLLOKOSA-N -1 1 362.394 -0.260 20 0 FBADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CC[C@@](C)(O)C2)n1 ZINC000824843992 608355936 /nfs/dbraw/zinc/35/59/36/608355936.db2.gz MAUISIHPCINLJO-OAHLLOKOSA-N -1 1 362.394 -0.260 20 0 FBADMM C[C@@H]1CC(=O)NCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824865857 607649112 /nfs/dbraw/zinc/64/91/12/607649112.db2.gz JXLADUZEUZMJFI-MRVPVSSYSA-N -1 1 354.367 -0.095 20 0 FBADMM C[C@H]1CC(=O)NCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824865858 607648783 /nfs/dbraw/zinc/64/87/83/607648783.db2.gz JXLADUZEUZMJFI-QMMMGPOBSA-N -1 1 354.367 -0.095 20 0 FBADMM C[C@@H]1CC(=O)NCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824866121 607649120 /nfs/dbraw/zinc/64/91/20/607649120.db2.gz KQSZCVUWNVEPRK-MRVPVSSYSA-N -1 1 354.367 -0.095 20 0 FBADMM C[C@@H]1CC(=O)NCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824866121 607649118 /nfs/dbraw/zinc/64/91/18/607649118.db2.gz KQSZCVUWNVEPRK-MRVPVSSYSA-N -1 1 354.367 -0.095 20 0 FBADMM C[C@H]1CC(=O)NCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824866123 607649215 /nfs/dbraw/zinc/64/92/15/607649215.db2.gz KQSZCVUWNVEPRK-QMMMGPOBSA-N -1 1 354.367 -0.095 20 0 FBADMM C[C@H]1CC(=O)NCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824866123 607649213 /nfs/dbraw/zinc/64/92/13/607649213.db2.gz KQSZCVUWNVEPRK-QMMMGPOBSA-N -1 1 354.367 -0.095 20 0 FBADMM C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000824906281 604175794 /nfs/dbraw/zinc/17/57/94/604175794.db2.gz CBIAYSZOMINXPB-LLVKDONJSA-N -1 1 364.406 -0.138 20 0 FBADMM C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000824906282 604175757 /nfs/dbraw/zinc/17/57/57/604175757.db2.gz CBIAYSZOMINXPB-NSHDSACASA-N -1 1 364.406 -0.138 20 0 FBADMM C[C@H](CN1CCN(C)CC1)NC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000824908300 604561364 /nfs/dbraw/zinc/56/13/64/604561364.db2.gz SSFFIYBCIHQBLA-HZSPNIEDSA-N -1 1 357.455 -0.311 20 0 FBADMM C[C@H](CN1CCN(C)CC1)NC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000824908301 604561234 /nfs/dbraw/zinc/56/12/34/604561234.db2.gz SSFFIYBCIHQBLA-MCIONIFRSA-N -1 1 357.455 -0.311 20 0 FBADMM C[C@H](CN1CCN(C)CC1)NC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000824908302 604561406 /nfs/dbraw/zinc/56/14/06/604561406.db2.gz SSFFIYBCIHQBLA-MGPQQGTHSA-N -1 1 357.455 -0.311 20 0 FBADMM C[C@H](CN1CCN(C)CC1)NC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000824908303 604561377 /nfs/dbraw/zinc/56/13/77/604561377.db2.gz SSFFIYBCIHQBLA-RDBSUJKOSA-N -1 1 357.455 -0.311 20 0 FBADMM CC1CCC2(CC1)NC(=O)N(NC(=O)Cn1ccnc1-c1nn[n-]n1)C2=O ZINC000824917831 608012535 /nfs/dbraw/zinc/01/25/35/608012535.db2.gz NYCHVOZYVHHKFV-UHFFFAOYSA-N -1 1 373.377 -0.405 20 0 FBADMM CC1CCC2(CC1)NC(=O)N(NC(=O)Cn1ccnc1-c1nnn[n-]1)C2=O ZINC000824917831 608012534 /nfs/dbraw/zinc/01/25/34/608012534.db2.gz NYCHVOZYVHHKFV-UHFFFAOYSA-N -1 1 373.377 -0.405 20 0 FBADMM C[C@H]1CCCC[C@H]1N(C)C(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000824937198 608095727 /nfs/dbraw/zinc/09/57/27/608095727.db2.gz OGCABEGNTXUQKI-CMPLNLGQSA-N -1 1 361.406 -0.236 20 0 FBADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000824937200 608095663 /nfs/dbraw/zinc/09/56/63/608095663.db2.gz OGCABEGNTXUQKI-JQWIXIFHSA-N -1 1 361.406 -0.236 20 0 FBADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000824937202 608095613 /nfs/dbraw/zinc/09/56/13/608095613.db2.gz OGCABEGNTXUQKI-PWSUYJOCSA-N -1 1 361.406 -0.236 20 0 FBADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000824937205 608095684 /nfs/dbraw/zinc/09/56/84/608095684.db2.gz OGCABEGNTXUQKI-ZYHUDNBSSA-N -1 1 361.406 -0.236 20 0 FBADMM C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CCN1CC(F)(F)F ZINC000824967635 608103121 /nfs/dbraw/zinc/10/31/21/608103121.db2.gz LTTJUJMSCQWLIS-MRVPVSSYSA-N -1 1 359.316 -0.447 20 0 FBADMM C[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CCN1CC(F)(F)F ZINC000824967636 608103269 /nfs/dbraw/zinc/10/32/69/608103269.db2.gz LTTJUJMSCQWLIS-QMMMGPOBSA-N -1 1 359.316 -0.447 20 0 FBADMM C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@H]1O ZINC000824967825 608361219 /nfs/dbraw/zinc/36/12/19/608361219.db2.gz NISPDUJAFJUPSB-PSASIEDQSA-N -1 1 362.394 -0.404 20 0 FBADMM C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@H]1O ZINC000824967825 608361217 /nfs/dbraw/zinc/36/12/17/608361217.db2.gz NISPDUJAFJUPSB-PSASIEDQSA-N -1 1 362.394 -0.404 20 0 FBADMM C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@@H]1O ZINC000824967826 608361294 /nfs/dbraw/zinc/36/12/94/608361294.db2.gz NISPDUJAFJUPSB-SCZZXKLOSA-N -1 1 362.394 -0.404 20 0 FBADMM C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@@H]1O ZINC000824967826 608361292 /nfs/dbraw/zinc/36/12/92/608361292.db2.gz NISPDUJAFJUPSB-SCZZXKLOSA-N -1 1 362.394 -0.404 20 0 FBADMM C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@H]1O ZINC000824967827 608361555 /nfs/dbraw/zinc/36/15/55/608361555.db2.gz NISPDUJAFJUPSB-WCBMZHEXSA-N -1 1 362.394 -0.404 20 0 FBADMM C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@H]1O ZINC000824967827 608361553 /nfs/dbraw/zinc/36/15/53/608361553.db2.gz NISPDUJAFJUPSB-WCBMZHEXSA-N -1 1 362.394 -0.404 20 0 FBADMM C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@@H]1O ZINC000824967828 608361164 /nfs/dbraw/zinc/36/11/64/608361164.db2.gz NISPDUJAFJUPSB-WPRPVWTQSA-N -1 1 362.394 -0.404 20 0 FBADMM C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@@H]1O ZINC000824967828 608361163 /nfs/dbraw/zinc/36/11/63/608361163.db2.gz NISPDUJAFJUPSB-WPRPVWTQSA-N -1 1 362.394 -0.404 20 0 FBADMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCN1c1nccn2cnnc12 ZINC000824992305 608433899 /nfs/dbraw/zinc/43/38/99/608433899.db2.gz LVEFZKQETDZDHS-JTQLQIEISA-N -1 1 364.377 -0.191 20 0 FBADMM C[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCN1c1nccn2cnnc12 ZINC000824992305 608433897 /nfs/dbraw/zinc/43/38/97/608433897.db2.gz LVEFZKQETDZDHS-JTQLQIEISA-N -1 1 364.377 -0.191 20 0 FBADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCN1c1nccn2cnnc12 ZINC000824992307 608433641 /nfs/dbraw/zinc/43/36/41/608433641.db2.gz LVEFZKQETDZDHS-SNVBAGLBSA-N -1 1 364.377 -0.191 20 0 FBADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCN1c1nccn2cnnc12 ZINC000824992307 608433638 /nfs/dbraw/zinc/43/36/38/608433638.db2.gz LVEFZKQETDZDHS-SNVBAGLBSA-N -1 1 364.377 -0.191 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@@H]1CCOC1 ZINC000824999413 607764200 /nfs/dbraw/zinc/76/42/00/607764200.db2.gz HBTMCJYYFYODNR-GHMZBOCLSA-N -1 1 359.394 -0.334 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@@H]1CCOC1 ZINC000824999413 607764199 /nfs/dbraw/zinc/76/41/99/607764199.db2.gz HBTMCJYYFYODNR-GHMZBOCLSA-N -1 1 359.394 -0.334 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CCOC1 ZINC000824999414 607764027 /nfs/dbraw/zinc/76/40/27/607764027.db2.gz HBTMCJYYFYODNR-MNOVXSKESA-N -1 1 359.394 -0.334 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CCOC1 ZINC000824999414 607764026 /nfs/dbraw/zinc/76/40/26/607764026.db2.gz HBTMCJYYFYODNR-MNOVXSKESA-N -1 1 359.394 -0.334 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CCOC1 ZINC000824999415 607763985 /nfs/dbraw/zinc/76/39/85/607763985.db2.gz HBTMCJYYFYODNR-QWRGUYRKSA-N -1 1 359.394 -0.334 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CCOC1 ZINC000824999415 607763984 /nfs/dbraw/zinc/76/39/84/607763984.db2.gz HBTMCJYYFYODNR-QWRGUYRKSA-N -1 1 359.394 -0.334 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@@H]1CCOC1 ZINC000824999416 607764164 /nfs/dbraw/zinc/76/41/64/607764164.db2.gz HBTMCJYYFYODNR-WDEREUQCSA-N -1 1 359.394 -0.334 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@@H]1CCOC1 ZINC000824999416 607764163 /nfs/dbraw/zinc/76/41/63/607764163.db2.gz HBTMCJYYFYODNR-WDEREUQCSA-N -1 1 359.394 -0.334 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccnnc1 ZINC000824999751 607928573 /nfs/dbraw/zinc/92/85/73/607928573.db2.gz JGUHPSZYZUESBU-JTQLQIEISA-N -1 1 352.362 -0.202 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccnnc1 ZINC000824999751 607928572 /nfs/dbraw/zinc/92/85/72/607928572.db2.gz JGUHPSZYZUESBU-JTQLQIEISA-N -1 1 352.362 -0.202 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccnnc1 ZINC000824999752 607928590 /nfs/dbraw/zinc/92/85/90/607928590.db2.gz JGUHPSZYZUESBU-SNVBAGLBSA-N -1 1 352.362 -0.202 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccnnc1 ZINC000824999752 607928589 /nfs/dbraw/zinc/92/85/89/607928589.db2.gz JGUHPSZYZUESBU-SNVBAGLBSA-N -1 1 352.362 -0.202 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CCC(=O)N1C ZINC000824999999 609506151 /nfs/dbraw/zinc/50/61/51/609506151.db2.gz MEOFTSWDLCCOJN-MNOVXSKESA-N -1 1 371.405 -0.685 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CCC(=O)N1C ZINC000824999999 609506150 /nfs/dbraw/zinc/50/61/50/609506150.db2.gz MEOFTSWDLCCOJN-MNOVXSKESA-N -1 1 371.405 -0.685 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CCC(=O)N1C ZINC000825000000 609506006 /nfs/dbraw/zinc/50/60/06/609506006.db2.gz MEOFTSWDLCCOJN-QWRGUYRKSA-N -1 1 371.405 -0.685 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CCC(=O)N1C ZINC000825000000 609506005 /nfs/dbraw/zinc/50/60/05/609506005.db2.gz MEOFTSWDLCCOJN-QWRGUYRKSA-N -1 1 371.405 -0.685 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cn(C)cn1 ZINC000825000168 607991842 /nfs/dbraw/zinc/99/18/42/607991842.db2.gz NLWUZWDGCCXHLP-JTQLQIEISA-N -1 1 354.378 -0.259 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cn(C)cn1 ZINC000825000168 607991841 /nfs/dbraw/zinc/99/18/41/607991841.db2.gz NLWUZWDGCCXHLP-JTQLQIEISA-N -1 1 354.378 -0.259 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cn(C)cn1 ZINC000825000169 607991839 /nfs/dbraw/zinc/99/18/39/607991839.db2.gz NLWUZWDGCCXHLP-SNVBAGLBSA-N -1 1 354.378 -0.259 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cn(C)cn1 ZINC000825000169 607991838 /nfs/dbraw/zinc/99/18/38/607991838.db2.gz NLWUZWDGCCXHLP-SNVBAGLBSA-N -1 1 354.378 -0.259 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nccc(N)n1 ZINC000825000341 607512426 /nfs/dbraw/zinc/51/24/26/607512426.db2.gz OQCQJPPCAJKGJJ-JTQLQIEISA-N -1 1 353.394 -0.260 20 0 FBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nccc(N)n1 ZINC000825000341 607512424 /nfs/dbraw/zinc/51/24/24/607512424.db2.gz OQCQJPPCAJKGJJ-JTQLQIEISA-N -1 1 353.394 -0.260 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nccc(N)n1 ZINC000825000343 607512315 /nfs/dbraw/zinc/51/23/15/607512315.db2.gz OQCQJPPCAJKGJJ-SNVBAGLBSA-N -1 1 353.394 -0.260 20 0 FBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nccc(N)n1 ZINC000825000343 607512313 /nfs/dbraw/zinc/51/23/13/607512313.db2.gz OQCQJPPCAJKGJJ-SNVBAGLBSA-N -1 1 353.394 -0.260 20 0 FBADMM C[C@@H]1CO[C@H](CO)CN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825006726 607791262 /nfs/dbraw/zinc/79/12/62/607791262.db2.gz OOBUKSVUBPQOLJ-BDAKNGLRSA-N -1 1 357.367 -0.224 20 0 FBADMM C[C@@H]1CO[C@H](CO)CN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825006726 607791261 /nfs/dbraw/zinc/79/12/61/607791261.db2.gz OOBUKSVUBPQOLJ-BDAKNGLRSA-N -1 1 357.367 -0.224 20 0 FBADMM C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825006727 607791339 /nfs/dbraw/zinc/79/13/39/607791339.db2.gz OOBUKSVUBPQOLJ-DTWKUNHWSA-N -1 1 357.367 -0.224 20 0 FBADMM C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825006727 607791338 /nfs/dbraw/zinc/79/13/38/607791338.db2.gz OOBUKSVUBPQOLJ-DTWKUNHWSA-N -1 1 357.367 -0.224 20 0 FBADMM C[C@H]1CO[C@H](CO)CN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825006728 607791363 /nfs/dbraw/zinc/79/13/63/607791363.db2.gz OOBUKSVUBPQOLJ-IUCAKERBSA-N -1 1 357.367 -0.224 20 0 FBADMM C[C@H]1CO[C@H](CO)CN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825006728 607791362 /nfs/dbraw/zinc/79/13/62/607791362.db2.gz OOBUKSVUBPQOLJ-IUCAKERBSA-N -1 1 357.367 -0.224 20 0 FBADMM C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825006729 607791395 /nfs/dbraw/zinc/79/13/95/607791395.db2.gz OOBUKSVUBPQOLJ-RKDXNWHRSA-N -1 1 357.367 -0.224 20 0 FBADMM C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825006729 607791394 /nfs/dbraw/zinc/79/13/94/607791394.db2.gz OOBUKSVUBPQOLJ-RKDXNWHRSA-N -1 1 357.367 -0.224 20 0 FBADMM C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825007154 608247040 /nfs/dbraw/zinc/24/70/40/608247040.db2.gz WIYUQGQRAGOASJ-PSASIEDQSA-N -1 1 357.367 -0.224 20 0 FBADMM C[C@@H]1CO[C@H](CO)CN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825007155 608247081 /nfs/dbraw/zinc/24/70/81/608247081.db2.gz WIYUQGQRAGOASJ-SCZZXKLOSA-N -1 1 357.367 -0.224 20 0 FBADMM C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825007156 608247045 /nfs/dbraw/zinc/24/70/45/608247045.db2.gz WIYUQGQRAGOASJ-WCBMZHEXSA-N -1 1 357.367 -0.224 20 0 FBADMM C[C@H]1CO[C@H](CO)CN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825007157 608246913 /nfs/dbraw/zinc/24/69/13/608246913.db2.gz WIYUQGQRAGOASJ-WPRPVWTQSA-N -1 1 357.367 -0.224 20 0 FBADMM CCC(CC)(CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(=O)OC ZINC000825089631 607733374 /nfs/dbraw/zinc/73/33/74/607733374.db2.gz JQQJQIUGWFHMAC-UHFFFAOYSA-N -1 1 365.394 -0.345 20 0 FBADMM CC[C@H](CO)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000825120466 607654130 /nfs/dbraw/zinc/65/41/30/607654130.db2.gz KKUBDDZVTLDIKQ-LLVKDONJSA-N -1 1 367.435 -0.661 20 0 FBADMM CC[C@H](CO)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000825120466 607654129 /nfs/dbraw/zinc/65/41/29/607654129.db2.gz KKUBDDZVTLDIKQ-LLVKDONJSA-N -1 1 367.435 -0.661 20 0 FBADMM CC[C@@H](CO)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000825120469 607654216 /nfs/dbraw/zinc/65/42/16/607654216.db2.gz KKUBDDZVTLDIKQ-NSHDSACASA-N -1 1 367.435 -0.661 20 0 FBADMM CC[C@@H](CO)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000825120469 607654215 /nfs/dbraw/zinc/65/42/15/607654215.db2.gz KKUBDDZVTLDIKQ-NSHDSACASA-N -1 1 367.435 -0.661 20 0 FBADMM CC[C@H](CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825120802 608338611 /nfs/dbraw/zinc/33/86/11/608338611.db2.gz NQRWQQDHUJKTPZ-MRVPVSSYSA-N -1 1 350.383 -0.356 20 0 FBADMM CC[C@H](CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825120802 608338609 /nfs/dbraw/zinc/33/86/09/608338609.db2.gz NQRWQQDHUJKTPZ-MRVPVSSYSA-N -1 1 350.383 -0.356 20 0 FBADMM CC[C@@H](CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825120803 608338593 /nfs/dbraw/zinc/33/85/93/608338593.db2.gz NQRWQQDHUJKTPZ-QMMMGPOBSA-N -1 1 350.383 -0.356 20 0 FBADMM CC[C@@H](CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825120803 608338591 /nfs/dbraw/zinc/33/85/91/608338591.db2.gz NQRWQQDHUJKTPZ-QMMMGPOBSA-N -1 1 350.383 -0.356 20 0 FBADMM CC[C@](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)(C(N)=O)C(C)C ZINC000825146250 609401653 /nfs/dbraw/zinc/40/16/53/609401653.db2.gz BANVIDRGOJLSJF-CYBMUJFWSA-N -1 1 353.408 -0.170 20 0 FBADMM CC[C@](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)(C(N)=O)C(C)C ZINC000825146250 609401652 /nfs/dbraw/zinc/40/16/52/609401652.db2.gz BANVIDRGOJLSJF-CYBMUJFWSA-N -1 1 353.408 -0.170 20 0 FBADMM CC[C@@](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)(C(N)=O)C(C)C ZINC000825146252 609401517 /nfs/dbraw/zinc/40/15/17/609401517.db2.gz BANVIDRGOJLSJF-ZDUSSCGKSA-N -1 1 353.408 -0.170 20 0 FBADMM CC[C@@](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)(C(N)=O)C(C)C ZINC000825146252 609401514 /nfs/dbraw/zinc/40/15/14/609401514.db2.gz BANVIDRGOJLSJF-ZDUSSCGKSA-N -1 1 353.408 -0.170 20 0 FBADMM CC[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[C@@H](O)C(F)(F)F ZINC000825147300 608232154 /nfs/dbraw/zinc/23/21/54/608232154.db2.gz HQNSKDJFVDTZHL-CAHLUQPWSA-N -1 1 363.300 -0.622 20 0 FBADMM CC[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[C@H](O)C(F)(F)F ZINC000825147301 608231886 /nfs/dbraw/zinc/23/18/86/608231886.db2.gz HQNSKDJFVDTZHL-FSPLSTOPSA-N -1 1 363.300 -0.622 20 0 FBADMM CC[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[C@@H](O)C(F)(F)F ZINC000825147302 608231904 /nfs/dbraw/zinc/23/19/04/608231904.db2.gz HQNSKDJFVDTZHL-IYSWYEEDSA-N -1 1 363.300 -0.622 20 0 FBADMM CC[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[C@H](O)C(F)(F)F ZINC000825147303 608231758 /nfs/dbraw/zinc/23/17/58/608231758.db2.gz HQNSKDJFVDTZHL-VDTYLAMSSA-N -1 1 363.300 -0.622 20 0 FBADMM CC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000825153148 609566821 /nfs/dbraw/zinc/56/68/21/609566821.db2.gz GGACYNMYZDQRPG-LLVKDONJSA-N -1 1 367.435 -0.661 20 0 FBADMM CC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000825153148 609566819 /nfs/dbraw/zinc/56/68/19/609566819.db2.gz GGACYNMYZDQRPG-LLVKDONJSA-N -1 1 367.435 -0.661 20 0 FBADMM CC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000825153149 609566651 /nfs/dbraw/zinc/56/66/51/609566651.db2.gz GGACYNMYZDQRPG-NSHDSACASA-N -1 1 367.435 -0.661 20 0 FBADMM CC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000825153149 609566649 /nfs/dbraw/zinc/56/66/49/609566649.db2.gz GGACYNMYZDQRPG-NSHDSACASA-N -1 1 367.435 -0.661 20 0 FBADMM CC[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CCN1CC(F)F ZINC000825201938 608249736 /nfs/dbraw/zinc/24/97/36/608249736.db2.gz IQVKWNLSHIVFPL-SECBINFHSA-N -1 1 355.353 -0.354 20 0 FBADMM CC[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CCN1CC(F)F ZINC000825201939 608249602 /nfs/dbraw/zinc/24/96/02/608249602.db2.gz IQVKWNLSHIVFPL-VIFPVBQESA-N -1 1 355.353 -0.354 20 0 FBADMM CCC[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825248211 608240123 /nfs/dbraw/zinc/24/01/23/608240123.db2.gz QGRJCBCWECYKBX-LLVKDONJSA-N -1 1 351.392 -0.449 20 0 FBADMM CCC[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825248211 608240122 /nfs/dbraw/zinc/24/01/22/608240122.db2.gz QGRJCBCWECYKBX-LLVKDONJSA-N -1 1 351.392 -0.449 20 0 FBADMM CCC[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825248212 608240065 /nfs/dbraw/zinc/24/00/65/608240065.db2.gz QGRJCBCWECYKBX-NSHDSACASA-N -1 1 351.392 -0.449 20 0 FBADMM CCC[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825248212 608240064 /nfs/dbraw/zinc/24/00/64/608240064.db2.gz QGRJCBCWECYKBX-NSHDSACASA-N -1 1 351.392 -0.449 20 0 FBADMM CCCCCN(CC(N)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825272150 609579439 /nfs/dbraw/zinc/57/94/39/609579439.db2.gz WVNBPGXCKIZASU-UHFFFAOYSA-N -1 1 353.408 -0.072 20 0 FBADMM CCCCCN(CC(N)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825272150 609579437 /nfs/dbraw/zinc/57/94/37/609579437.db2.gz WVNBPGXCKIZASU-UHFFFAOYSA-N -1 1 353.408 -0.072 20 0 FBADMM CCCCN(C(=O)Cn1ccnc1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000825282740 608014145 /nfs/dbraw/zinc/01/41/45/608014145.db2.gz YMMOLUIGUXILKQ-LLVKDONJSA-N -1 1 367.435 -0.121 20 0 FBADMM CCCCN(C(=O)Cn1ccnc1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000825282740 608014144 /nfs/dbraw/zinc/01/41/44/608014144.db2.gz YMMOLUIGUXILKQ-LLVKDONJSA-N -1 1 367.435 -0.121 20 0 FBADMM CCCCN(C(=O)Cn1ccnc1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000825282741 608014015 /nfs/dbraw/zinc/01/40/15/608014015.db2.gz YMMOLUIGUXILKQ-NSHDSACASA-N -1 1 367.435 -0.121 20 0 FBADMM CCCCN(C(=O)Cn1ccnc1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000825282741 608014014 /nfs/dbraw/zinc/01/40/14/608014014.db2.gz YMMOLUIGUXILKQ-NSHDSACASA-N -1 1 367.435 -0.121 20 0 FBADMM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)CN(C)c2ncnc3[nH]cnc32)CCO1 ZINC000825302577 604675258 /nfs/dbraw/zinc/67/52/58/604675258.db2.gz RLRIOTVRELABSW-NXEZZACHSA-N -1 1 363.378 -0.327 20 0 FBADMM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CN(C)c2ncnc3[nH]cnc32)CCO1 ZINC000825302578 604675571 /nfs/dbraw/zinc/67/55/71/604675571.db2.gz RLRIOTVRELABSW-UWVGGRQHSA-N -1 1 363.378 -0.327 20 0 FBADMM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CN(C)c2ncnc3[nH]cnc32)CCO1 ZINC000825302579 604675417 /nfs/dbraw/zinc/67/54/17/604675417.db2.gz RLRIOTVRELABSW-VHSXEESVSA-N -1 1 363.378 -0.327 20 0 FBADMM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)CN(C)c2ncnc3[nH]cnc32)CCO1 ZINC000825302580 604675203 /nfs/dbraw/zinc/67/52/03/604675203.db2.gz RLRIOTVRELABSW-ZJUUUORDSA-N -1 1 363.378 -0.327 20 0 FBADMM CCCN(CC(=O)OCC)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000825307584 607986791 /nfs/dbraw/zinc/98/67/91/607986791.db2.gz GBFQEXDOBAODMD-UHFFFAOYSA-N -1 1 351.367 -0.956 20 0 FBADMM CCCNC(=O)CCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825328822 608212500 /nfs/dbraw/zinc/21/25/00/608212500.db2.gz XMUFHTKGPGEJRK-UHFFFAOYSA-N -1 1 363.426 -0.131 20 0 FBADMM CCCNC(=O)CCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825328822 608212499 /nfs/dbraw/zinc/21/24/99/608212499.db2.gz XMUFHTKGPGEJRK-UHFFFAOYSA-N -1 1 363.426 -0.131 20 0 FBADMM CCCNC(=O)NC(=O)Cn1ncc(C(=O)OCC)c1-c1nn[n-]n1 ZINC000825333436 661104040 /nfs/dbraw/zinc/10/40/40/661104040.db2.gz XZEHOAUQZMYVOB-UHFFFAOYSA-N -1 1 350.339 -0.524 20 0 FBADMM CCCS(=O)(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825341411 607988971 /nfs/dbraw/zinc/98/89/71/607988971.db2.gz CJBJEHOFQAKSTL-UHFFFAOYSA-N -1 1 352.424 -0.045 20 0 FBADMM CCCS(=O)(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825341411 607988970 /nfs/dbraw/zinc/98/89/70/607988970.db2.gz CJBJEHOFQAKSTL-UHFFFAOYSA-N -1 1 352.424 -0.045 20 0 FBADMM CCCS(=O)(=O)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825341450 608212940 /nfs/dbraw/zinc/21/29/40/608212940.db2.gz DQRXSQIAECQTPW-UHFFFAOYSA-N -1 1 370.439 -0.612 20 0 FBADMM CCCS(=O)(=O)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825341450 608212939 /nfs/dbraw/zinc/21/29/39/608212939.db2.gz DQRXSQIAECQTPW-UHFFFAOYSA-N -1 1 370.439 -0.612 20 0 FBADMM CCC[C@@H](NC(N)=O)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825341640 608555251 /nfs/dbraw/zinc/55/52/51/608555251.db2.gz GQGLSGXXOIFHSR-SECBINFHSA-N -1 1 364.414 -0.600 20 0 FBADMM CCC[C@@H](NC(N)=O)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825341640 608555250 /nfs/dbraw/zinc/55/52/50/608555250.db2.gz GQGLSGXXOIFHSR-SECBINFHSA-N -1 1 364.414 -0.600 20 0 FBADMM CCCn1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)nn1 ZINC000825356951 608560475 /nfs/dbraw/zinc/56/04/75/608560475.db2.gz ROGKMHZEVKZBJI-UHFFFAOYSA-N -1 1 359.398 -0.122 20 0 FBADMM CCCn1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)nn1 ZINC000825356951 608560473 /nfs/dbraw/zinc/56/04/73/608560473.db2.gz ROGKMHZEVKZBJI-UHFFFAOYSA-N -1 1 359.398 -0.122 20 0 FBADMM CCCN1C(=O)N=NC1S(=O)(=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825357007 607531056 /nfs/dbraw/zinc/53/10/56/607531056.db2.gz UOLOOCKLGSRCFB-UHFFFAOYSA-N -1 1 350.364 -0.057 20 0 FBADMM CCN(C(=O)Cc1noc(C)c1-c1nn[n-]n1)[C@H](C)CS(C)(=O)=O ZINC000825376003 661104776 /nfs/dbraw/zinc/10/47/76/661104776.db2.gz BNPCUGYNNQMAIL-MRVPVSSYSA-N -1 1 356.408 -0.013 20 0 FBADMM CCN(C(=O)Cc1noc(C)c1-c1nnn[n-]1)[C@H](C)CS(C)(=O)=O ZINC000825376003 661104774 /nfs/dbraw/zinc/10/47/74/661104774.db2.gz BNPCUGYNNQMAIL-MRVPVSSYSA-N -1 1 356.408 -0.013 20 0 FBADMM CCN(C(=O)Cc1noc(C)c1-c1nn[n-]n1)[C@@H](C)CS(C)(=O)=O ZINC000825376023 661104662 /nfs/dbraw/zinc/10/46/62/661104662.db2.gz BNPCUGYNNQMAIL-QMMMGPOBSA-N -1 1 356.408 -0.013 20 0 FBADMM CCN(C(=O)Cc1noc(C)c1-c1nnn[n-]1)[C@@H](C)CS(C)(=O)=O ZINC000825376023 661104659 /nfs/dbraw/zinc/10/46/59/661104659.db2.gz BNPCUGYNNQMAIL-QMMMGPOBSA-N -1 1 356.408 -0.013 20 0 FBADMM CCN(C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)S(C)(=O)=O ZINC000825395182 607990167 /nfs/dbraw/zinc/99/01/67/607990167.db2.gz MHPAZAWSUAXSCM-UHFFFAOYSA-N -1 1 352.424 -0.093 20 0 FBADMM CCN(C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)S(C)(=O)=O ZINC000825395182 607990166 /nfs/dbraw/zinc/99/01/66/607990166.db2.gz MHPAZAWSUAXSCM-UHFFFAOYSA-N -1 1 352.424 -0.093 20 0 FBADMM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825395843 608498047 /nfs/dbraw/zinc/49/80/47/608498047.db2.gz XDHFNSYYAFPZAM-JTQLQIEISA-N -1 1 368.419 -0.415 20 0 FBADMM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825395843 608498046 /nfs/dbraw/zinc/49/80/46/608498046.db2.gz XDHFNSYYAFPZAM-JTQLQIEISA-N -1 1 368.419 -0.415 20 0 FBADMM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825395849 608498477 /nfs/dbraw/zinc/49/84/77/608498477.db2.gz XDHFNSYYAFPZAM-SNVBAGLBSA-N -1 1 368.419 -0.415 20 0 FBADMM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825395849 608498475 /nfs/dbraw/zinc/49/84/75/608498475.db2.gz XDHFNSYYAFPZAM-SNVBAGLBSA-N -1 1 368.419 -0.415 20 0 FBADMM CCN(CC)C(=O)CSc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000825406438 607737191 /nfs/dbraw/zinc/73/71/91/607737191.db2.gz OBHDOWCVCBPMIS-UHFFFAOYSA-N -1 1 353.408 -0.775 20 0 FBADMM CCN(CC)S(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825415994 608393504 /nfs/dbraw/zinc/39/35/04/608393504.db2.gz GIBPOHOYKVSKPM-UHFFFAOYSA-N -1 1 367.439 -0.635 20 0 FBADMM CCN(CC)S(=O)(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825415994 608393502 /nfs/dbraw/zinc/39/35/02/608393502.db2.gz GIBPOHOYKVSKPM-UHFFFAOYSA-N -1 1 367.439 -0.635 20 0 FBADMM CCN(CC)S(=O)(=O)CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825416963 608142489 /nfs/dbraw/zinc/14/24/89/608142489.db2.gz NOQJQCPEQHSVTJ-UHFFFAOYSA-N -1 1 354.392 -0.024 20 0 FBADMM CCN(CC)S(=O)(=O)CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825416963 608142488 /nfs/dbraw/zinc/14/24/88/608142488.db2.gz NOQJQCPEQHSVTJ-UHFFFAOYSA-N -1 1 354.392 -0.024 20 0 FBADMM CCN(CCCO)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825418988 608354914 /nfs/dbraw/zinc/35/49/14/608354914.db2.gz CFPHXODCEFSKGZ-UHFFFAOYSA-N -1 1 364.410 -0.012 20 0 FBADMM CCN(CCCO)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825418988 608354911 /nfs/dbraw/zinc/35/49/11/608354911.db2.gz CFPHXODCEFSKGZ-UHFFFAOYSA-N -1 1 364.410 -0.012 20 0 FBADMM CCN(CCCNC(=O)Cc1noc(C)c1-c1nn[n-]n1)S(C)(=O)=O ZINC000825419055 661104756 /nfs/dbraw/zinc/10/47/56/661104756.db2.gz FLIAHJZHIUTSJI-UHFFFAOYSA-N -1 1 371.423 -0.507 20 0 FBADMM CCN(CCCNC(=O)Cc1noc(C)c1-c1nnn[n-]1)S(C)(=O)=O ZINC000825419055 661104753 /nfs/dbraw/zinc/10/47/53/661104753.db2.gz FLIAHJZHIUTSJI-UHFFFAOYSA-N -1 1 371.423 -0.507 20 0 FBADMM CCN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825424899 607811959 /nfs/dbraw/zinc/81/19/59/607811959.db2.gz RRUNRYOMMGZJBH-UHFFFAOYSA-N -1 1 360.421 -0.683 20 0 FBADMM CCN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825424899 607811958 /nfs/dbraw/zinc/81/19/58/607811958.db2.gz RRUNRYOMMGZJBH-UHFFFAOYSA-N -1 1 360.421 -0.683 20 0 FBADMM CCN(CCO)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825424939 608340321 /nfs/dbraw/zinc/34/03/21/608340321.db2.gz UDZNQRHMYATIJL-UHFFFAOYSA-N -1 1 350.383 -0.403 20 0 FBADMM CCN(CCO)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825424939 608340318 /nfs/dbraw/zinc/34/03/18/608340318.db2.gz UDZNQRHMYATIJL-UHFFFAOYSA-N -1 1 350.383 -0.403 20 0 FBADMM CCN(CCc1nccs1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000825428241 607820585 /nfs/dbraw/zinc/82/05/85/607820585.db2.gz GRTPAURPBKRMMA-UHFFFAOYSA-N -1 1 362.419 -0.210 20 0 FBADMM CCN1C[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC1=O ZINC000825443931 608559052 /nfs/dbraw/zinc/55/90/52/608559052.db2.gz HIZBEEHTYSAGNF-SECBINFHSA-N -1 1 361.410 -0.569 20 0 FBADMM CCN1C[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC1=O ZINC000825443931 608559050 /nfs/dbraw/zinc/55/90/50/608559050.db2.gz HIZBEEHTYSAGNF-SECBINFHSA-N -1 1 361.410 -0.569 20 0 FBADMM CCN1C[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC1=O ZINC000825443933 608559099 /nfs/dbraw/zinc/55/90/99/608559099.db2.gz HIZBEEHTYSAGNF-VIFPVBQESA-N -1 1 361.410 -0.569 20 0 FBADMM CCN1C[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC1=O ZINC000825443933 608559097 /nfs/dbraw/zinc/55/90/97/608559097.db2.gz HIZBEEHTYSAGNF-VIFPVBQESA-N -1 1 361.410 -0.569 20 0 FBADMM CCNC(=O)CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000825465018 609245828 /nfs/dbraw/zinc/24/58/28/609245828.db2.gz GECCKYDNIYSOBY-JTQLQIEISA-N -1 1 359.394 -0.780 20 0 FBADMM CCNC(=O)CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000825465018 609245826 /nfs/dbraw/zinc/24/58/26/609245826.db2.gz GECCKYDNIYSOBY-JTQLQIEISA-N -1 1 359.394 -0.780 20 0 FBADMM CCNC(=O)CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000825465020 609245975 /nfs/dbraw/zinc/24/59/75/609245975.db2.gz GECCKYDNIYSOBY-SNVBAGLBSA-N -1 1 359.394 -0.780 20 0 FBADMM CCNC(=O)CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000825465020 609245974 /nfs/dbraw/zinc/24/59/74/609245974.db2.gz GECCKYDNIYSOBY-SNVBAGLBSA-N -1 1 359.394 -0.780 20 0 FBADMM CCN1CCOC[C@@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825465621 608555186 /nfs/dbraw/zinc/55/51/86/608555186.db2.gz ONNWDLQGRQGRDO-LLVKDONJSA-N -1 1 363.426 -0.716 20 0 FBADMM CCN1CCOC[C@@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825465621 608555185 /nfs/dbraw/zinc/55/51/85/608555185.db2.gz ONNWDLQGRQGRDO-LLVKDONJSA-N -1 1 363.426 -0.716 20 0 FBADMM CCN1CCOC[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825465622 608555043 /nfs/dbraw/zinc/55/50/43/608555043.db2.gz ONNWDLQGRQGRDO-NSHDSACASA-N -1 1 363.426 -0.716 20 0 FBADMM CCN1CCOC[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825465622 608555042 /nfs/dbraw/zinc/55/50/42/608555042.db2.gz ONNWDLQGRQGRDO-NSHDSACASA-N -1 1 363.426 -0.716 20 0 FBADMM CCNC(=O)CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825465714 609195728 /nfs/dbraw/zinc/19/57/28/609195728.db2.gz QCKXBEXPWLDVRP-UHFFFAOYSA-N -1 1 374.405 -0.093 20 0 FBADMM CCNC(=O)CCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825471237 608210979 /nfs/dbraw/zinc/21/09/79/608210979.db2.gz PPUHRFDTFJRFSW-UHFFFAOYSA-N -1 1 363.426 -0.131 20 0 FBADMM CCNC(=O)CCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825471237 608210977 /nfs/dbraw/zinc/21/09/77/608210977.db2.gz PPUHRFDTFJRFSW-UHFFFAOYSA-N -1 1 363.426 -0.131 20 0 FBADMM CCNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000825476412 608167395 /nfs/dbraw/zinc/16/73/95/608167395.db2.gz JKBKZTJOKLRAOM-JTQLQIEISA-N -1 1 351.392 -0.585 20 0 FBADMM CCNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000825476412 608167394 /nfs/dbraw/zinc/16/73/94/608167394.db2.gz JKBKZTJOKLRAOM-JTQLQIEISA-N -1 1 351.392 -0.585 20 0 FBADMM CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000825476413 608167666 /nfs/dbraw/zinc/16/76/66/608167666.db2.gz JKBKZTJOKLRAOM-SNVBAGLBSA-N -1 1 351.392 -0.585 20 0 FBADMM CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000825476413 608167665 /nfs/dbraw/zinc/16/76/65/608167665.db2.gz JKBKZTJOKLRAOM-SNVBAGLBSA-N -1 1 351.392 -0.585 20 0 FBADMM CCNS(=O)(=O)[C@@H]1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000825476617 609470512 /nfs/dbraw/zinc/47/05/12/609470512.db2.gz PQLRPXPFFUHDSG-SECBINFHSA-N -1 1 369.407 -0.754 20 0 FBADMM CCNS(=O)(=O)[C@@H]1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000825476617 609470511 /nfs/dbraw/zinc/47/05/11/609470511.db2.gz PQLRPXPFFUHDSG-SECBINFHSA-N -1 1 369.407 -0.754 20 0 FBADMM CCNS(=O)(=O)[C@H]1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000825476618 609470489 /nfs/dbraw/zinc/47/04/89/609470489.db2.gz PQLRPXPFFUHDSG-VIFPVBQESA-N -1 1 369.407 -0.754 20 0 FBADMM CCNS(=O)(=O)[C@H]1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000825476618 609470487 /nfs/dbraw/zinc/47/04/87/609470487.db2.gz PQLRPXPFFUHDSG-VIFPVBQESA-N -1 1 369.407 -0.754 20 0 FBADMM CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000825476788 608209222 /nfs/dbraw/zinc/20/92/22/608209222.db2.gz WEPRSEOJGXSOBR-MRVPVSSYSA-N -1 1 369.411 -0.854 20 0 FBADMM CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000825476788 608209220 /nfs/dbraw/zinc/20/92/20/608209220.db2.gz WEPRSEOJGXSOBR-MRVPVSSYSA-N -1 1 369.411 -0.854 20 0 FBADMM CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000825476789 608209006 /nfs/dbraw/zinc/20/90/06/608209006.db2.gz WEPRSEOJGXSOBR-QMMMGPOBSA-N -1 1 369.411 -0.854 20 0 FBADMM CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000825476789 608209004 /nfs/dbraw/zinc/20/90/04/608209004.db2.gz WEPRSEOJGXSOBR-QMMMGPOBSA-N -1 1 369.411 -0.854 20 0 FBADMM CCOC(=O)[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(O)c1 ZINC000825493800 607941386 /nfs/dbraw/zinc/94/13/86/607941386.db2.gz NUTZFZWYJDMTEB-GFCCVEGCSA-N -1 1 372.345 -0.416 20 0 FBADMM CCOC(=O)[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(O)c1 ZINC000825493801 607941568 /nfs/dbraw/zinc/94/15/68/607941568.db2.gz NUTZFZWYJDMTEB-LBPRGKRZSA-N -1 1 372.345 -0.416 20 0 FBADMM CCOC(=O)C1(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC1 ZINC000825494094 608210942 /nfs/dbraw/zinc/21/09/42/608210942.db2.gz SHMKKLUBKFDTSH-UHFFFAOYSA-N -1 1 362.394 -0.094 20 0 FBADMM CCOC(=O)C1(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC1 ZINC000825494094 608210940 /nfs/dbraw/zinc/21/09/40/608210940.db2.gz SHMKKLUBKFDTSH-UHFFFAOYSA-N -1 1 362.394 -0.094 20 0 FBADMM CCOC(=O)C[C@@H](C)CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000825498913 608018190 /nfs/dbraw/zinc/01/81/90/608018190.db2.gz DODPKXGMDVKZTG-MRVPVSSYSA-N -1 1 351.367 -0.735 20 0 FBADMM CCOC(=O)C[C@H](C)CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000825498915 608018132 /nfs/dbraw/zinc/01/81/32/608018132.db2.gz DODPKXGMDVKZTG-QMMMGPOBSA-N -1 1 351.367 -0.735 20 0 FBADMM CCOC(=O)C1CCN(C(=O)CN(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825499096 608409918 /nfs/dbraw/zinc/40/99/18/608409918.db2.gz GQUDFYACKWRPFN-UHFFFAOYSA-N -1 1 374.405 -0.105 20 0 FBADMM CCOC(=O)C1CCN(C(=O)CN(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825499096 608409907 /nfs/dbraw/zinc/40/99/07/608409907.db2.gz GQUDFYACKWRPFN-UHFFFAOYSA-N -1 1 374.405 -0.105 20 0 FBADMM CCOC(=O)[C@@H]1CN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CCO1 ZINC000825499105 661105132 /nfs/dbraw/zinc/10/51/32/661105132.db2.gz GVBAFNIIJBESDU-JTQLQIEISA-N -1 1 350.335 -0.504 20 0 FBADMM CCOC(=O)[C@@H]1CN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CCO1 ZINC000825499105 661105131 /nfs/dbraw/zinc/10/51/31/661105131.db2.gz GVBAFNIIJBESDU-JTQLQIEISA-N -1 1 350.335 -0.504 20 0 FBADMM CCOC(=O)[C@H]1CN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CCO1 ZINC000825499108 661105108 /nfs/dbraw/zinc/10/51/08/661105108.db2.gz GVBAFNIIJBESDU-SNVBAGLBSA-N -1 1 350.335 -0.504 20 0 FBADMM CCOC(=O)[C@H]1CN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CCO1 ZINC000825499108 661105106 /nfs/dbraw/zinc/10/51/06/661105106.db2.gz GVBAFNIIJBESDU-SNVBAGLBSA-N -1 1 350.335 -0.504 20 0 FBADMM CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825499865 608409749 /nfs/dbraw/zinc/40/97/49/608409749.db2.gz WFNYSJRWNJHOET-LLVKDONJSA-N -1 1 374.405 -0.105 20 0 FBADMM CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825499865 608409747 /nfs/dbraw/zinc/40/97/47/608409747.db2.gz WFNYSJRWNJHOET-LLVKDONJSA-N -1 1 374.405 -0.105 20 0 FBADMM CCOC(=O)[C@H]1CCCN(C(=O)CN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825499866 608410004 /nfs/dbraw/zinc/41/00/04/608410004.db2.gz WFNYSJRWNJHOET-NSHDSACASA-N -1 1 374.405 -0.105 20 0 FBADMM CCOC(=O)[C@H]1CCCN(C(=O)CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825499866 608410003 /nfs/dbraw/zinc/41/00/03/608410003.db2.gz WFNYSJRWNJHOET-NSHDSACASA-N -1 1 374.405 -0.105 20 0 FBADMM CCOC(=O)CC[C@@H](C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000825506081 608018775 /nfs/dbraw/zinc/01/87/75/608018775.db2.gz DJLYIAGPWYSIIQ-MRVPVSSYSA-N -1 1 351.367 -0.592 20 0 FBADMM CCOC(=O)CC[C@H](C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000825506082 608018922 /nfs/dbraw/zinc/01/89/22/608018922.db2.gz DJLYIAGPWYSIIQ-QMMMGPOBSA-N -1 1 351.367 -0.592 20 0 FBADMM CCOC(=O)C[C@@H](O)Cn1nc(CC)c(CC)c(-c2nn[n-]n2)c1=O ZINC000825506522 608330047 /nfs/dbraw/zinc/33/00/47/608330047.db2.gz LFLVXXTWUJIWAN-SECBINFHSA-N -1 1 350.379 -0.138 20 0 FBADMM CCOC(=O)C[C@H](O)Cn1nc(CC)c(CC)c(-c2nn[n-]n2)c1=O ZINC000825506524 608330185 /nfs/dbraw/zinc/33/01/85/608330185.db2.gz LFLVXXTWUJIWAN-VIFPVBQESA-N -1 1 350.379 -0.138 20 0 FBADMM CCOC(=O)CN(CC(C)C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000825511809 608292569 /nfs/dbraw/zinc/29/25/69/608292569.db2.gz GMDIPTAVZDKGAN-UHFFFAOYSA-N -1 1 365.394 -0.710 20 0 FBADMM CCOC(=O)CNC(=O)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825517755 608435922 /nfs/dbraw/zinc/43/59/22/608435922.db2.gz LMPSLMQWGHRCTP-UHFFFAOYSA-N -1 1 360.378 -0.448 20 0 FBADMM CCOC(=O)CNC(=O)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825517755 608435920 /nfs/dbraw/zinc/43/59/20/608435920.db2.gz LMPSLMQWGHRCTP-UHFFFAOYSA-N -1 1 360.378 -0.448 20 0 FBADMM CCOC(=O)NCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825522766 608210553 /nfs/dbraw/zinc/21/05/53/608210553.db2.gz JXSBBQGQGJWIAA-UHFFFAOYSA-N -1 1 365.398 -0.301 20 0 FBADMM CCOC(=O)NCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825522766 608210552 /nfs/dbraw/zinc/21/05/52/608210552.db2.gz JXSBBQGQGJWIAA-UHFFFAOYSA-N -1 1 365.398 -0.301 20 0 FBADMM CCOC(=O)c1cnc(C)c(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000825565796 608501802 /nfs/dbraw/zinc/50/18/02/608501802.db2.gz YNUDCXZPYYGFGI-UHFFFAOYSA-N -1 1 357.334 -0.023 20 0 FBADMM CCOC(=O)c1cnn(CCCNS(=O)(=O)CC)c1-c1nn[n-]n1 ZINC000825569979 661105044 /nfs/dbraw/zinc/10/50/44/661105044.db2.gz DBOCLCSDADXPEC-UHFFFAOYSA-N -1 1 357.396 -0.431 20 0 FBADMM CCOC(=O)c1cnn2c1nccc2C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000825570343 608119910 /nfs/dbraw/zinc/11/99/10/608119910.db2.gz IOKUDGKIAOQYES-UHFFFAOYSA-N -1 1 368.317 -0.447 20 0 FBADMM CCOC[C@@H](C(=O)OC)N(C)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825583239 661105095 /nfs/dbraw/zinc/10/50/95/661105095.db2.gz SSLNBGGYRSDXTQ-JTQLQIEISA-N -1 1 352.351 -0.258 20 0 FBADMM CCOC[C@@H](C(=O)OC)N(C)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825583239 661105092 /nfs/dbraw/zinc/10/50/92/661105092.db2.gz SSLNBGGYRSDXTQ-JTQLQIEISA-N -1 1 352.351 -0.258 20 0 FBADMM CCOC[C@H](C(=O)OC)N(C)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825583277 661105142 /nfs/dbraw/zinc/10/51/42/661105142.db2.gz SSLNBGGYRSDXTQ-SNVBAGLBSA-N -1 1 352.351 -0.258 20 0 FBADMM CCOC[C@H](C(=O)OC)N(C)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825583277 661105141 /nfs/dbraw/zinc/10/51/41/661105141.db2.gz SSLNBGGYRSDXTQ-SNVBAGLBSA-N -1 1 352.351 -0.258 20 0 FBADMM CCOCCOCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825599548 608212870 /nfs/dbraw/zinc/21/28/70/608212870.db2.gz NHFLYNUCWVYARJ-UHFFFAOYSA-N -1 1 352.399 -0.384 20 0 FBADMM CCOCCOCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825599548 608212869 /nfs/dbraw/zinc/21/28/69/608212869.db2.gz NHFLYNUCWVYARJ-UHFFFAOYSA-N -1 1 352.399 -0.384 20 0 FBADMM CCOCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825600072 608342395 /nfs/dbraw/zinc/34/23/95/608342395.db2.gz YJRXWTLBCKKAGU-UHFFFAOYSA-N -1 1 350.383 -0.091 20 0 FBADMM CCOCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825600072 608342394 /nfs/dbraw/zinc/34/23/94/608342394.db2.gz YJRXWTLBCKKAGU-UHFFFAOYSA-N -1 1 350.383 -0.091 20 0 FBADMM CCOCCOC1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000825600087 609183360 /nfs/dbraw/zinc/18/33/60/609183360.db2.gz ZCXXORKBYIDOMO-UHFFFAOYSA-N -1 1 354.392 -0.312 20 0 FBADMM CCOCCOC1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000825600087 609183359 /nfs/dbraw/zinc/18/33/59/609183359.db2.gz ZCXXORKBYIDOMO-UHFFFAOYSA-N -1 1 354.392 -0.312 20 0 FBADMM CCOCCS(=O)(=O)NCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825605202 607613522 /nfs/dbraw/zinc/61/35/22/607613522.db2.gz RKUHTOYIROBWGI-UHFFFAOYSA-N -1 1 370.391 -0.739 20 0 FBADMM O=C(NCCS(=O)(=O)N1CCOCC1)c1ccc2n[n-]c(=S)n2c1 ZINC000825653005 661105701 /nfs/dbraw/zinc/10/57/01/661105701.db2.gz UHYOSHYGWLYIQU-UHFFFAOYSA-N -1 1 371.444 -0.590 20 0 FBADMM C[C@]1(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CCN(C(=O)[O-])C1 ZINC000825657727 603945535 /nfs/dbraw/zinc/94/55/35/603945535.db2.gz VZMGLNISJALEQO-PBHICJAKSA-N -1 1 354.451 -0.101 20 0 FBADMM C[C@@]1(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CCN(C(=O)[O-])C1 ZINC000825657728 603945404 /nfs/dbraw/zinc/94/54/04/603945404.db2.gz VZMGLNISJALEQO-RHSMWYFYSA-N -1 1 354.451 -0.101 20 0 FBADMM C[C@@]1(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CCN(C(=O)[O-])C1 ZINC000825657729 603945441 /nfs/dbraw/zinc/94/54/41/603945441.db2.gz VZMGLNISJALEQO-WMLDXEAASA-N -1 1 354.451 -0.101 20 0 FBADMM C[C@]1(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CCN(C(=O)[O-])C1 ZINC000825657730 603945297 /nfs/dbraw/zinc/94/52/97/603945297.db2.gz VZMGLNISJALEQO-YOEHRIQHSA-N -1 1 354.451 -0.101 20 0 FBADMM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825659090 607937275 /nfs/dbraw/zinc/93/72/75/607937275.db2.gz OAFBFPVHELMBOD-MRVPVSSYSA-N -1 1 360.421 -0.637 20 0 FBADMM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825659090 607937274 /nfs/dbraw/zinc/93/72/74/607937274.db2.gz OAFBFPVHELMBOD-MRVPVSSYSA-N -1 1 360.421 -0.637 20 0 FBADMM CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825659091 607937269 /nfs/dbraw/zinc/93/72/69/607937269.db2.gz OAFBFPVHELMBOD-QMMMGPOBSA-N -1 1 360.421 -0.637 20 0 FBADMM CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825659091 607937268 /nfs/dbraw/zinc/93/72/68/607937268.db2.gz OAFBFPVHELMBOD-QMMMGPOBSA-N -1 1 360.421 -0.637 20 0 FBADMM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825659154 661105803 /nfs/dbraw/zinc/10/58/03/661105803.db2.gz PDPMTNQZIUEGRU-MRVPVSSYSA-N -1 1 356.408 -0.013 20 0 FBADMM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825659154 661105798 /nfs/dbraw/zinc/10/57/98/661105798.db2.gz PDPMTNQZIUEGRU-MRVPVSSYSA-N -1 1 356.408 -0.013 20 0 FBADMM CCS(=O)(=O)C[C@H](C)N(C)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825659155 661105616 /nfs/dbraw/zinc/10/56/16/661105616.db2.gz PDPMTNQZIUEGRU-QMMMGPOBSA-N -1 1 356.408 -0.013 20 0 FBADMM CCS(=O)(=O)C[C@H](C)N(C)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825659155 661105613 /nfs/dbraw/zinc/10/56/13/661105613.db2.gz PDPMTNQZIUEGRU-QMMMGPOBSA-N -1 1 356.408 -0.013 20 0 FBADMM CCS(=O)(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825662943 608416908 /nfs/dbraw/zinc/41/69/08/608416908.db2.gz FVVIYGVJDGXTGK-UHFFFAOYSA-N -1 1 352.424 -0.093 20 0 FBADMM CCS(=O)(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825662943 608416907 /nfs/dbraw/zinc/41/69/07/608416907.db2.gz FVVIYGVJDGXTGK-UHFFFAOYSA-N -1 1 352.424 -0.093 20 0 FBADMM CCS(=O)(=O)N(C)CCCNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825662979 661105717 /nfs/dbraw/zinc/10/57/17/661105717.db2.gz GFTUDADLIRSFBD-UHFFFAOYSA-N -1 1 371.423 -0.507 20 0 FBADMM CCS(=O)(=O)N(C)CCCNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825662979 661105711 /nfs/dbraw/zinc/10/57/11/661105711.db2.gz GFTUDADLIRSFBD-UHFFFAOYSA-N -1 1 371.423 -0.507 20 0 FBADMM CCS(=O)(=O)N1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000825663304 661105739 /nfs/dbraw/zinc/10/57/39/661105739.db2.gz LNJVRMKVOIXFQA-UHFFFAOYSA-N -1 1 369.407 -0.800 20 0 FBADMM CCS(=O)(=O)N1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000825663304 661105736 /nfs/dbraw/zinc/10/57/36/661105736.db2.gz LNJVRMKVOIXFQA-UHFFFAOYSA-N -1 1 369.407 -0.800 20 0 FBADMM CCS(=O)(=O)CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825663407 607606445 /nfs/dbraw/zinc/60/64/45/607606445.db2.gz NNADMUOHJHCWCP-UHFFFAOYSA-N -1 1 363.396 -0.281 20 0 FBADMM CCS(=O)(=O)CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825663407 607606443 /nfs/dbraw/zinc/60/64/43/607606443.db2.gz NNADMUOHJHCWCP-UHFFFAOYSA-N -1 1 363.396 -0.281 20 0 FBADMM 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-0.823 20 0 FBADMM CN(C)S(=O)(=O)c1ccc(=O)n(Cc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000825875754 607542481 /nfs/dbraw/zinc/54/24/81/607542481.db2.gz XKTMDBGAOUDLOZ-UHFFFAOYSA-N -1 1 361.387 -0.278 20 0 FBADMM CN(C)S(=O)(=O)c1ccc(=O)n(Cc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000825875754 607542479 /nfs/dbraw/zinc/54/24/79/607542479.db2.gz XKTMDBGAOUDLOZ-UHFFFAOYSA-N -1 1 361.387 -0.278 20 0 FBADMM CN(C)c1cccc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)n1 ZINC000825879736 607852018 /nfs/dbraw/zinc/85/20/18/607852018.db2.gz QAFWFQAVYROWSH-UHFFFAOYSA-N -1 1 357.378 -0.663 20 0 FBADMM CN(C)c1ncc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)cn1 ZINC000825883503 607767867 /nfs/dbraw/zinc/76/78/67/607767867.db2.gz ITCMVYKQGGNVTC-UHFFFAOYSA-N -1 1 372.397 -0.218 20 0 FBADMM CN(C)c1ncc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)cn1 ZINC000825883503 607767866 /nfs/dbraw/zinc/76/78/66/607767866.db2.gz ITCMVYKQGGNVTC-UHFFFAOYSA-N -1 1 372.397 -0.218 20 0 FBADMM CN(C)c1nccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000825887628 661106433 /nfs/dbraw/zinc/10/64/33/661106433.db2.gz JHCIYRZZIKJWJI-UHFFFAOYSA-N -1 1 361.391 -0.404 20 0 FBADMM CN(C)c1nccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000825887628 661106429 /nfs/dbraw/zinc/10/64/29/661106429.db2.gz JHCIYRZZIKJWJI-UHFFFAOYSA-N -1 1 361.391 -0.404 20 0 FBADMM CN(C1(C(N)=O)CCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825888580 608247106 /nfs/dbraw/zinc/24/71/06/608247106.db2.gz RYUXTWPGUDIPJU-UHFFFAOYSA-N -1 1 351.392 -0.320 20 0 FBADMM CN(C1(C(N)=O)CCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825888580 608247104 /nfs/dbraw/zinc/24/71/04/608247104.db2.gz RYUXTWPGUDIPJU-UHFFFAOYSA-N -1 1 351.392 -0.320 20 0 FBADMM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(-c2nn[n-]n2)s1 ZINC000825892299 608598018 /nfs/dbraw/zinc/59/80/18/608598018.db2.gz JMCOQOFFGUWYFN-SECBINFHSA-N -1 1 370.460 -0.337 20 0 FBADMM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(-c2nn[n-]n2)s1 ZINC000825892300 608597880 /nfs/dbraw/zinc/59/78/80/608597880.db2.gz JMCOQOFFGUWYFN-VIFPVBQESA-N -1 1 370.460 -0.337 20 0 FBADMM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccc(-c2nn[n-]n2)n1 ZINC000825892858 607902173 /nfs/dbraw/zinc/90/21/73/607902173.db2.gz WNTFAMJVAMNBBI-SECBINFHSA-N -1 1 351.392 -0.999 20 0 FBADMM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccc(-c2nnn[n-]2)n1 ZINC000825892858 607902172 /nfs/dbraw/zinc/90/21/72/607902172.db2.gz WNTFAMJVAMNBBI-SECBINFHSA-N -1 1 351.392 -0.999 20 0 FBADMM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1cccc(-c2nn[n-]n2)n1 ZINC000825892859 607902132 /nfs/dbraw/zinc/90/21/32/607902132.db2.gz WNTFAMJVAMNBBI-VIFPVBQESA-N -1 1 351.392 -0.999 20 0 FBADMM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1cccc(-c2nnn[n-]2)n1 ZINC000825892859 607902131 /nfs/dbraw/zinc/90/21/31/607902131.db2.gz WNTFAMJVAMNBBI-VIFPVBQESA-N -1 1 351.392 -0.999 20 0 FBADMM CN(CC(C)(CO)CO)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825897532 608618103 /nfs/dbraw/zinc/61/81/03/608618103.db2.gz IVNMLUBZASTDRB-UHFFFAOYSA-N -1 1 359.383 -0.383 20 0 FBADMM CN(CC(C)(CO)CO)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825897532 608618100 /nfs/dbraw/zinc/61/81/00/608618100.db2.gz IVNMLUBZASTDRB-UHFFFAOYSA-N -1 1 359.383 -0.383 20 0 FBADMM CN(CC(=O)OC(C)(C)C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000825897644 608584023 /nfs/dbraw/zinc/58/40/23/608584023.db2.gz JKHQOEQYYMNSRH-UHFFFAOYSA-N -1 1 351.367 -0.958 20 0 FBADMM CN(CC(C)(CO)CO)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825897663 609565306 /nfs/dbraw/zinc/56/53/06/609565306.db2.gz KIKFTXIKJHQCFV-UHFFFAOYSA-N -1 1 359.383 -0.383 20 0 FBADMM CN(CC(C)(C)S(C)(=O)=O)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825897689 608118922 /nfs/dbraw/zinc/11/89/22/608118922.db2.gz LQYJVAUMPUEJAJ-UHFFFAOYSA-N -1 1 356.412 -0.113 20 0 FBADMM CN(CC(C)(C)S(C)(=O)=O)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825897689 608118921 /nfs/dbraw/zinc/11/89/21/608118921.db2.gz LQYJVAUMPUEJAJ-UHFFFAOYSA-N -1 1 356.412 -0.113 20 0 FBADMM CN(CC(C)(C)S(C)(=O)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825897809 608111705 /nfs/dbraw/zinc/11/17/05/608111705.db2.gz OJVYARYMASDIRO-UHFFFAOYSA-N -1 1 374.448 -0.295 20 0 FBADMM CN(CC(C)(C)S(C)(=O)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825897809 608111704 /nfs/dbraw/zinc/11/17/04/608111704.db2.gz OJVYARYMASDIRO-UHFFFAOYSA-N -1 1 374.448 -0.295 20 0 FBADMM CN(CC(C)(CO)CO)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825898013 608617929 /nfs/dbraw/zinc/61/79/29/608617929.db2.gz VNCXOJAMWSZHHP-UHFFFAOYSA-N -1 1 359.383 -0.383 20 0 FBADMM CN(CC1CCCCC1)C(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000825909468 608095477 /nfs/dbraw/zinc/09/54/77/608095477.db2.gz YTYXRYWOHJPTBB-UHFFFAOYSA-N -1 1 361.406 -0.234 20 0 FBADMM CN(C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)c1cccnn1 ZINC000825915199 608434461 /nfs/dbraw/zinc/43/44/61/608434461.db2.gz VBIYCMMJUVVUIU-LLVKDONJSA-N -1 1 354.378 -0.212 20 0 FBADMM CN(C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)c1cccnn1 ZINC000825915199 608434459 /nfs/dbraw/zinc/43/44/59/608434459.db2.gz VBIYCMMJUVVUIU-LLVKDONJSA-N -1 1 354.378 -0.212 20 0 FBADMM CN(C[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)c1cccnn1 ZINC000825915203 608434222 /nfs/dbraw/zinc/43/42/22/608434222.db2.gz VBIYCMMJUVVUIU-NSHDSACASA-N -1 1 354.378 -0.212 20 0 FBADMM CN(C[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)c1cccnn1 ZINC000825915203 608434221 /nfs/dbraw/zinc/43/42/21/608434221.db2.gz VBIYCMMJUVVUIU-NSHDSACASA-N -1 1 354.378 -0.212 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C1(C(=O)NC2CC2)CC1 ZINC000825923152 608559135 /nfs/dbraw/zinc/55/91/35/608559135.db2.gz DCOLOQYGOGVQBB-UHFFFAOYSA-N -1 1 373.421 -0.378 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C1(C(=O)NC2CC2)CC1 ZINC000825923152 608559133 /nfs/dbraw/zinc/55/91/33/608559133.db2.gz DCOLOQYGOGVQBB-UHFFFAOYSA-N -1 1 373.421 -0.378 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCN1CCOC1=O ZINC000825923348 608560292 /nfs/dbraw/zinc/56/02/92/608560292.db2.gz HSPFNOXWKKTIRD-UHFFFAOYSA-N -1 1 363.382 -0.595 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCN1CCOC1=O ZINC000825923348 608560290 /nfs/dbraw/zinc/56/02/90/608560290.db2.gz HSPFNOXWKKTIRD-UHFFFAOYSA-N -1 1 363.382 -0.595 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C(C)(C)S(C)(=O)=O ZINC000825923446 608557777 /nfs/dbraw/zinc/55/77/77/608557777.db2.gz HZCROANAYOJBFF-UHFFFAOYSA-N -1 1 370.439 -0.614 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C(C)(C)S(C)(=O)=O ZINC000825923446 608557776 /nfs/dbraw/zinc/55/77/76/608557776.db2.gz HZCROANAYOJBFF-UHFFFAOYSA-N -1 1 370.439 -0.614 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@H](O)c1cccnc1 ZINC000825923517 608560212 /nfs/dbraw/zinc/56/02/12/608560212.db2.gz LBOIIUORQRYWPG-GFCCVEGCSA-N -1 1 357.378 -0.308 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@H](O)c1cccnc1 ZINC000825923517 608560210 /nfs/dbraw/zinc/56/02/10/608560210.db2.gz LBOIIUORQRYWPG-GFCCVEGCSA-N -1 1 357.378 -0.308 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H](O)c1cccnc1 ZINC000825923518 608560522 /nfs/dbraw/zinc/56/05/22/608560522.db2.gz LBOIIUORQRYWPG-LBPRGKRZSA-N -1 1 357.378 -0.308 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H](O)c1cccnc1 ZINC000825923518 608560520 /nfs/dbraw/zinc/56/05/20/608560520.db2.gz LBOIIUORQRYWPG-LBPRGKRZSA-N -1 1 357.378 -0.308 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCN1CCCC1=O ZINC000825923522 608212806 /nfs/dbraw/zinc/21/28/06/608212806.db2.gz LDJBNHGUOMDXQN-UHFFFAOYSA-N -1 1 361.410 -0.425 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCN1CCCC1=O ZINC000825923522 608212804 /nfs/dbraw/zinc/21/28/04/608212804.db2.gz LDJBNHGUOMDXQN-UHFFFAOYSA-N -1 1 361.410 -0.425 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@H]1CSC(=O)N1 ZINC000825923641 608556553 /nfs/dbraw/zinc/55/65/53/608556553.db2.gz PUXADGFJYZFKEN-SSDOTTSWSA-N -1 1 351.396 -0.612 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@H]1CSC(=O)N1 ZINC000825923641 608556552 /nfs/dbraw/zinc/55/65/52/608556552.db2.gz PUXADGFJYZFKEN-SSDOTTSWSA-N -1 1 351.396 -0.612 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H]1CSC(=O)N1 ZINC000825923642 608557059 /nfs/dbraw/zinc/55/70/59/608557059.db2.gz PUXADGFJYZFKEN-ZETCQYMHSA-N -1 1 351.396 -0.612 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H]1CSC(=O)N1 ZINC000825923642 608557058 /nfs/dbraw/zinc/55/70/58/608557058.db2.gz PUXADGFJYZFKEN-ZETCQYMHSA-N -1 1 351.396 -0.612 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C1(O)CCSCC1 ZINC000825923674 608557767 /nfs/dbraw/zinc/55/77/67/608557767.db2.gz QXASBHGUQJPRHN-UHFFFAOYSA-N -1 1 366.451 -0.179 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C1(O)CCSCC1 ZINC000825923674 608557765 /nfs/dbraw/zinc/55/77/65/608557765.db2.gz QXASBHGUQJPRHN-UHFFFAOYSA-N -1 1 366.451 -0.179 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@H](O)C1CCOCC1 ZINC000825923818 608560135 /nfs/dbraw/zinc/56/01/35/608560135.db2.gz XMOUDLCENPEZTO-GFCCVEGCSA-N -1 1 364.410 -0.650 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@H](O)C1CCOCC1 ZINC000825923818 608560134 /nfs/dbraw/zinc/56/01/34/608560134.db2.gz XMOUDLCENPEZTO-GFCCVEGCSA-N -1 1 364.410 -0.650 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H](O)C1CCOCC1 ZINC000825923819 608560274 /nfs/dbraw/zinc/56/02/74/608560274.db2.gz XMOUDLCENPEZTO-LBPRGKRZSA-N -1 1 364.410 -0.650 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H](O)C1CCOCC1 ZINC000825923819 608560273 /nfs/dbraw/zinc/56/02/73/608560273.db2.gz XMOUDLCENPEZTO-LBPRGKRZSA-N -1 1 364.410 -0.650 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@]1(O)CCSC1 ZINC000825923872 608556833 /nfs/dbraw/zinc/55/68/33/608556833.db2.gz ZTQLHWZCGMJKRE-CYBMUJFWSA-N -1 1 352.424 -0.569 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@]1(O)CCSC1 ZINC000825923872 608556831 /nfs/dbraw/zinc/55/68/31/608556831.db2.gz ZTQLHWZCGMJKRE-CYBMUJFWSA-N -1 1 352.424 -0.569 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@]1(O)CCSC1 ZINC000825923873 608556732 /nfs/dbraw/zinc/55/67/32/608556732.db2.gz ZTQLHWZCGMJKRE-ZDUSSCGKSA-N -1 1 352.424 -0.569 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@]1(O)CCSC1 ZINC000825923873 608556730 /nfs/dbraw/zinc/55/67/30/608556730.db2.gz ZTQLHWZCGMJKRE-ZDUSSCGKSA-N -1 1 352.424 -0.569 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCc1cnn(C)c1 ZINC000825929148 608212794 /nfs/dbraw/zinc/21/27/94/608212794.db2.gz BTMXFOFNJPULED-UHFFFAOYSA-N -1 1 358.410 -0.071 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCc1cnn(C)c1 ZINC000825929148 608212792 /nfs/dbraw/zinc/21/27/92/608212792.db2.gz BTMXFOFNJPULED-UHFFFAOYSA-N -1 1 358.410 -0.071 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CN1CCCCC1=O ZINC000825929175 608212742 /nfs/dbraw/zinc/21/27/42/608212742.db2.gz CDBXTQCJALNIHD-UHFFFAOYSA-N -1 1 361.410 -0.425 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CN1CCCCC1=O ZINC000825929175 608212740 /nfs/dbraw/zinc/21/27/40/608212740.db2.gz CDBXTQCJALNIHD-UHFFFAOYSA-N -1 1 361.410 -0.425 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CNCC(F)(F)F ZINC000825929203 661106981 /nfs/dbraw/zinc/10/69/81/661106981.db2.gz CNNCXJFBALMSTM-UHFFFAOYSA-N -1 1 361.332 -0.285 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CNCC(F)(F)F ZINC000825929203 661106978 /nfs/dbraw/zinc/10/69/78/661106978.db2.gz CNNCXJFBALMSTM-UHFFFAOYSA-N -1 1 361.332 -0.285 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC[C@@H]1COCCO1 ZINC000825929438 609301077 /nfs/dbraw/zinc/30/10/77/609301077.db2.gz FWALTTUBBJMDIV-SECBINFHSA-N -1 1 365.398 -0.839 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC[C@@H]1COCCO1 ZINC000825929438 609301076 /nfs/dbraw/zinc/30/10/76/609301076.db2.gz FWALTTUBBJMDIV-SECBINFHSA-N -1 1 365.398 -0.839 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC[C@H]1COCCO1 ZINC000825929441 609301021 /nfs/dbraw/zinc/30/10/21/609301021.db2.gz FWALTTUBBJMDIV-VIFPVBQESA-N -1 1 365.398 -0.839 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC[C@H]1COCCO1 ZINC000825929441 609301019 /nfs/dbraw/zinc/30/10/19/609301019.db2.gz FWALTTUBBJMDIV-VIFPVBQESA-N -1 1 365.398 -0.839 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)COC[C@@H]1CCCO1 ZINC000825929491 608211254 /nfs/dbraw/zinc/21/12/54/608211254.db2.gz GTUGJOZUIWLLDF-JTQLQIEISA-N -1 1 364.410 -0.241 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)COC[C@@H]1CCCO1 ZINC000825929491 608211253 /nfs/dbraw/zinc/21/12/53/608211253.db2.gz GTUGJOZUIWLLDF-JTQLQIEISA-N -1 1 364.410 -0.241 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)COC[C@H]1CCCO1 ZINC000825929493 608211701 /nfs/dbraw/zinc/21/17/01/608211701.db2.gz GTUGJOZUIWLLDF-SNVBAGLBSA-N -1 1 364.410 -0.241 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)COC[C@H]1CCCO1 ZINC000825929493 608211700 /nfs/dbraw/zinc/21/17/00/608211700.db2.gz GTUGJOZUIWLLDF-SNVBAGLBSA-N -1 1 364.410 -0.241 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cccn(C)c1=O ZINC000825929519 608549099 /nfs/dbraw/zinc/54/90/99/608549099.db2.gz HEABZWPSZVHFQN-UHFFFAOYSA-N -1 1 372.393 -0.033 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cccn(C)c1=O ZINC000825929519 608549097 /nfs/dbraw/zinc/54/90/97/608549097.db2.gz HEABZWPSZVHFQN-UHFFFAOYSA-N -1 1 372.393 -0.033 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCn1ccccc1=O ZINC000825930160 608212879 /nfs/dbraw/zinc/21/28/79/608212879.db2.gz QMHBOJGKLVDGKX-UHFFFAOYSA-N -1 1 371.405 -0.185 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCn1ccccc1=O ZINC000825930160 608212878 /nfs/dbraw/zinc/21/28/78/608212878.db2.gz QMHBOJGKLVDGKX-UHFFFAOYSA-N -1 1 371.405 -0.185 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc(=O)n(C)c1 ZINC000825930379 608408365 /nfs/dbraw/zinc/40/83/65/608408365.db2.gz VHFBJAGIIIQANS-UHFFFAOYSA-N -1 1 372.393 -0.033 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc(=O)n(C)c1 ZINC000825930379 608408363 /nfs/dbraw/zinc/40/83/63/608408363.db2.gz VHFBJAGIIIQANS-UHFFFAOYSA-N -1 1 372.393 -0.033 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CN(C)C(=O)C1CC1 ZINC000825930718 608558013 /nfs/dbraw/zinc/55/80/13/608558013.db2.gz XCEBSGMAAOJNLH-UHFFFAOYSA-N -1 1 361.410 -0.569 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CN(C)C(=O)C1CC1 ZINC000825930718 608558011 /nfs/dbraw/zinc/55/80/11/608558011.db2.gz XCEBSGMAAOJNLH-UHFFFAOYSA-N -1 1 361.410 -0.569 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCc1cnn(C)c1 ZINC000825930759 609301071 /nfs/dbraw/zinc/30/10/71/609301071.db2.gz YCTDUMQJKCZKJK-UHFFFAOYSA-N -1 1 373.425 -0.278 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCc1cnn(C)c1 ZINC000825930759 609301070 /nfs/dbraw/zinc/30/10/70/609301070.db2.gz YCTDUMQJKCZKJK-UHFFFAOYSA-N -1 1 373.425 -0.278 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCn1cccn1 ZINC000825930761 609302964 /nfs/dbraw/zinc/30/29/64/609302964.db2.gz YDPPOCRGNJBNHG-UHFFFAOYSA-N -1 1 359.398 -0.357 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCn1cccn1 ZINC000825930761 609302963 /nfs/dbraw/zinc/30/29/63/609302963.db2.gz YDPPOCRGNJBNHG-UHFFFAOYSA-N -1 1 359.398 -0.357 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cnn2cccnc12 ZINC000825933456 608212782 /nfs/dbraw/zinc/21/27/82/608212782.db2.gz FGUVQPVGDWQVBB-UHFFFAOYSA-N -1 1 367.377 -0.081 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cnn2cccnc12 ZINC000825933456 608212780 /nfs/dbraw/zinc/21/27/80/608212780.db2.gz FGUVQPVGDWQVBB-UHFFFAOYSA-N -1 1 367.377 -0.081 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc2nncn2c1 ZINC000825933821 608211671 /nfs/dbraw/zinc/21/16/71/608211671.db2.gz GTLAAFACXVFEBU-UHFFFAOYSA-N -1 1 367.377 -0.081 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc2nncn2c1 ZINC000825933821 608211669 /nfs/dbraw/zinc/21/16/69/608211669.db2.gz GTLAAFACXVFEBU-UHFFFAOYSA-N -1 1 367.377 -0.081 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc2nnnn2c1 ZINC000825934626 608560481 /nfs/dbraw/zinc/56/04/81/608560481.db2.gz OVLZVJDCYFDSQP-UHFFFAOYSA-N -1 1 368.365 -0.686 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc2nnnn2c1 ZINC000825934626 608560480 /nfs/dbraw/zinc/56/04/80/608560480.db2.gz OVLZVJDCYFDSQP-UHFFFAOYSA-N -1 1 368.365 -0.686 20 0 FBADMM CN(C)c1cnc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cn1 ZINC000825934658 609501093 /nfs/dbraw/zinc/50/10/93/609501093.db2.gz PNPPMNNXCWBRNX-UHFFFAOYSA-N -1 1 371.409 -0.267 20 0 FBADMM CN(C)c1cnc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cn1 ZINC000825934658 609501091 /nfs/dbraw/zinc/50/10/91/609501091.db2.gz PNPPMNNXCWBRNX-UHFFFAOYSA-N -1 1 371.409 -0.267 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cn2cccnc2n1 ZINC000825934712 608211243 /nfs/dbraw/zinc/21/12/43/608211243.db2.gz QKNPGRHQDULGSA-UHFFFAOYSA-N -1 1 367.377 -0.081 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cn2cccnc2n1 ZINC000825934712 608211242 /nfs/dbraw/zinc/21/12/42/608211242.db2.gz QKNPGRHQDULGSA-UHFFFAOYSA-N -1 1 367.377 -0.081 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cccc(C(N)=O)c1 ZINC000825935189 608558344 /nfs/dbraw/zinc/55/83/44/608558344.db2.gz WKEZLYWWEPQCLI-UHFFFAOYSA-N -1 1 369.389 -0.024 20 0 FBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cccc(C(N)=O)c1 ZINC000825935189 608558343 /nfs/dbraw/zinc/55/83/43/608558343.db2.gz WKEZLYWWEPQCLI-UHFFFAOYSA-N -1 1 369.389 -0.024 20 0 FBADMM CN(CCN1CCOCC1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825938017 607604511 /nfs/dbraw/zinc/60/45/11/607604511.db2.gz MNQSIKXVVFEQNC-UHFFFAOYSA-N -1 1 370.410 -0.042 20 0 FBADMM CN(CCN1CCOCC1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825938017 607604509 /nfs/dbraw/zinc/60/45/09/607604509.db2.gz MNQSIKXVVFEQNC-UHFFFAOYSA-N -1 1 370.410 -0.042 20 0 FBADMM CN(CCN1CCOCC1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825938344 607604912 /nfs/dbraw/zinc/60/49/12/607604912.db2.gz PTENHXHMLPFLLG-UHFFFAOYSA-N -1 1 370.410 -0.042 20 0 FBADMM CN(CCN(C)C(=O)OC(C)(C)C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000825938686 608583504 /nfs/dbraw/zinc/58/35/04/608583504.db2.gz VVGUWYBZSOOEER-UHFFFAOYSA-N -1 1 365.398 -0.217 20 0 FBADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN(C(=O)CN(C)C)CC1 ZINC000825977881 604959678 /nfs/dbraw/zinc/95/96/78/604959678.db2.gz QXMVXMSJZSXBTN-CYBMUJFWSA-N -1 1 354.451 -0.596 20 0 FBADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN(C(=O)CN(C)C)CC1 ZINC000825977882 604959653 /nfs/dbraw/zinc/95/96/53/604959653.db2.gz QXMVXMSJZSXBTN-ZDUSSCGKSA-N -1 1 354.451 -0.596 20 0 FBADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)C[C@@H](O)CN1CCOCC1 ZINC000825978167 601326665 /nfs/dbraw/zinc/32/66/65/601326665.db2.gz YZMNSNSRMPHYSN-DZGCQCFKSA-N -1 1 357.451 -0.677 20 0 FBADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)C[C@H](O)CN1CCOCC1 ZINC000825978168 601326959 /nfs/dbraw/zinc/32/69/59/601326959.db2.gz YZMNSNSRMPHYSN-HIFRSBDPSA-N -1 1 357.451 -0.677 20 0 FBADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)C[C@@H](O)CN1CCOCC1 ZINC000825978169 601326721 /nfs/dbraw/zinc/32/67/21/601326721.db2.gz YZMNSNSRMPHYSN-UKRRQHHQSA-N -1 1 357.451 -0.677 20 0 FBADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)C[C@H](O)CN1CCOCC1 ZINC000825978170 601326926 /nfs/dbraw/zinc/32/69/26/601326926.db2.gz YZMNSNSRMPHYSN-ZFWWWQNUSA-N -1 1 357.451 -0.677 20 0 FBADMM C[C@@H](C(=O)N1CCCC1)N1CCN(CCC(=O)N(C)CC(=O)[O-])CC1 ZINC000825982493 601547517 /nfs/dbraw/zinc/54/75/17/601547517.db2.gz HNHWULWXNUGVPM-AWEZNQCLSA-N -1 1 354.451 -0.452 20 0 FBADMM C[C@H](C(=O)N1CCCC1)N1CCN(CCC(=O)N(C)CC(=O)[O-])CC1 ZINC000825982497 601548039 /nfs/dbraw/zinc/54/80/39/601548039.db2.gz HNHWULWXNUGVPM-CQSZACIVSA-N -1 1 354.451 -0.452 20 0 FBADMM CN(Cc1cn(C)nc1C(F)(F)F)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000825985830 607540513 /nfs/dbraw/zinc/54/05/13/607540513.db2.gz CBEUNOAZHYLBOM-UHFFFAOYSA-N -1 1 370.299 -0.131 20 0 FBADMM C[C@@H]1CN(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CCN1C(=O)[O-] ZINC000825995583 604141255 /nfs/dbraw/zinc/14/12/55/604141255.db2.gz HGEJMXIFVHDLFK-CABCVRRESA-N -1 1 369.466 -0.213 20 0 FBADMM C[C@H]1CN(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CCN1C(=O)[O-] ZINC000825995588 604141448 /nfs/dbraw/zinc/14/14/48/604141448.db2.gz HGEJMXIFVHDLFK-GJZGRUSLSA-N -1 1 369.466 -0.213 20 0 FBADMM C[C@@H]1CN(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CCN1C(=O)[O-] ZINC000825995589 604141376 /nfs/dbraw/zinc/14/13/76/604141376.db2.gz HGEJMXIFVHDLFK-HUUCEWRRSA-N -1 1 369.466 -0.213 20 0 FBADMM C[C@H]1CN(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CCN1C(=O)[O-] ZINC000825995590 604141442 /nfs/dbraw/zinc/14/14/42/604141442.db2.gz HGEJMXIFVHDLFK-LSDHHAIUSA-N -1 1 369.466 -0.213 20 0 FBADMM CN(Cc1ncc(Cl)n1C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000825998916 609434035 /nfs/dbraw/zinc/43/40/35/609434035.db2.gz FIHGWJLVBZQWKN-UHFFFAOYSA-N -1 1 365.785 -0.713 20 0 FBADMM CN(c1nc(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)cs1)C1CC1 ZINC000826010994 608095452 /nfs/dbraw/zinc/09/54/52/608095452.db2.gz SWBWTMBSXMIUGW-UHFFFAOYSA-N -1 1 360.403 -0.170 20 0 FBADMM CN1C[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCC1=O ZINC000826016695 607621257 /nfs/dbraw/zinc/62/12/57/607621257.db2.gz FLNXAETZLJWZDE-SECBINFHSA-N -1 1 354.367 -0.095 20 0 FBADMM CN1C[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCC1=O ZINC000826016696 607621321 /nfs/dbraw/zinc/62/13/21/607621321.db2.gz FLNXAETZLJWZDE-VIFPVBQESA-N -1 1 354.367 -0.095 20 0 FBADMM CN1C[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCC1=O ZINC000826018117 607621486 /nfs/dbraw/zinc/62/14/86/607621486.db2.gz RACKZRHCMUDIAF-MRVPVSSYSA-N -1 1 354.367 -0.095 20 0 FBADMM CN1C[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCC1=O ZINC000826018117 607621484 /nfs/dbraw/zinc/62/14/84/607621484.db2.gz RACKZRHCMUDIAF-MRVPVSSYSA-N -1 1 354.367 -0.095 20 0 FBADMM CN1C[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCC1=O ZINC000826018120 607621655 /nfs/dbraw/zinc/62/16/55/607621655.db2.gz RACKZRHCMUDIAF-QMMMGPOBSA-N -1 1 354.367 -0.095 20 0 FBADMM CN1C[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCC1=O ZINC000826018120 607621653 /nfs/dbraw/zinc/62/16/53/607621653.db2.gz RACKZRHCMUDIAF-QMMMGPOBSA-N -1 1 354.367 -0.095 20 0 FBADMM CN1C(=O)c2ccc(NC(=O)Cn3ccnc3-c3nn[n-]n3)cc2C1=O ZINC000826018447 608148115 /nfs/dbraw/zinc/14/81/15/608148115.db2.gz ZIMKOAGCOZGFEP-UHFFFAOYSA-N -1 1 352.314 -0.072 20 0 FBADMM CN1C(=O)c2ccc(NC(=O)Cn3ccnc3-c3nnn[n-]3)cc2C1=O ZINC000826018447 608148113 /nfs/dbraw/zinc/14/81/13/608148113.db2.gz ZIMKOAGCOZGFEP-UHFFFAOYSA-N -1 1 352.314 -0.072 20 0 FBADMM CN([C@H]1CCN(C)C1=O)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826022277 607621591 /nfs/dbraw/zinc/62/15/91/607621591.db2.gz IGJXSWYGNSQVEN-JTQLQIEISA-N -1 1 354.367 -0.143 20 0 FBADMM CN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826022278 607621230 /nfs/dbraw/zinc/62/12/30/607621230.db2.gz IGJXSWYGNSQVEN-SNVBAGLBSA-N -1 1 354.367 -0.143 20 0 FBADMM CN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826022289 607621704 /nfs/dbraw/zinc/62/17/04/607621704.db2.gz ISVLSKCTEJZNQJ-SECBINFHSA-N -1 1 354.367 -0.143 20 0 FBADMM CN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826022289 607621701 /nfs/dbraw/zinc/62/17/01/607621701.db2.gz ISVLSKCTEJZNQJ-SECBINFHSA-N -1 1 354.367 -0.143 20 0 FBADMM CN([C@H]1CCN(C)C1=O)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826022290 607621228 /nfs/dbraw/zinc/62/12/28/607621228.db2.gz ISVLSKCTEJZNQJ-VIFPVBQESA-N -1 1 354.367 -0.143 20 0 FBADMM CN([C@H]1CCN(C)C1=O)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826022290 607621227 /nfs/dbraw/zinc/62/12/27/607621227.db2.gz ISVLSKCTEJZNQJ-VIFPVBQESA-N -1 1 354.367 -0.143 20 0 FBADMM CN1CCC[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1=O ZINC000826033433 607660958 /nfs/dbraw/zinc/66/09/58/607660958.db2.gz CZUVMRICPUIQAX-JTQLQIEISA-N -1 1 354.367 -0.095 20 0 FBADMM CN1CCC[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1=O ZINC000826033434 607660494 /nfs/dbraw/zinc/66/04/94/607660494.db2.gz CZUVMRICPUIQAX-SNVBAGLBSA-N -1 1 354.367 -0.095 20 0 FBADMM CN1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1=O ZINC000826033972 607660971 /nfs/dbraw/zinc/66/09/71/607660971.db2.gz MQSSKNNNDQCRTG-SECBINFHSA-N -1 1 354.367 -0.095 20 0 FBADMM CN1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1=O ZINC000826033972 607660969 /nfs/dbraw/zinc/66/09/69/607660969.db2.gz MQSSKNNNDQCRTG-SECBINFHSA-N -1 1 354.367 -0.095 20 0 FBADMM CN1CCC[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1=O ZINC000826033973 607660802 /nfs/dbraw/zinc/66/08/02/607660802.db2.gz MQSSKNNNDQCRTG-VIFPVBQESA-N -1 1 354.367 -0.095 20 0 FBADMM CN1CCC[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1=O ZINC000826033973 607660800 /nfs/dbraw/zinc/66/08/00/607660800.db2.gz MQSSKNNNDQCRTG-VIFPVBQESA-N -1 1 354.367 -0.095 20 0 FBADMM CN1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC1 ZINC000826034452 608340604 /nfs/dbraw/zinc/34/06/04/608340604.db2.gz RBNFQYJQUPLNSN-UHFFFAOYSA-N -1 1 361.410 -0.469 20 0 FBADMM CN1Cc2cc(Oc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)ccc2C1=O ZINC000826044363 608553886 /nfs/dbraw/zinc/55/38/86/608553886.db2.gz FDXZBNBJDNQCDY-UHFFFAOYSA-N -1 1 369.341 -0.358 20 0 FBADMM CN1CCO[C@@H](CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000826045085 607602520 /nfs/dbraw/zinc/60/25/20/607602520.db2.gz OVUYIHHJMJGCRT-JTQLQIEISA-N -1 1 356.383 -0.385 20 0 FBADMM CN1CCO[C@H](CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000826045086 607602223 /nfs/dbraw/zinc/60/22/23/607602223.db2.gz OVUYIHHJMJGCRT-SNVBAGLBSA-N -1 1 356.383 -0.385 20 0 FBADMM CN1CCc2ccc(Nc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)cc21 ZINC000826045294 608587242 /nfs/dbraw/zinc/58/72/42/608587242.db2.gz TYWJIHLQZBUIGI-UHFFFAOYSA-N -1 1 354.374 0.000 20 0 FBADMM CN1CCO[C@H](CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000826045521 607602135 /nfs/dbraw/zinc/60/21/35/607602135.db2.gz XYUKPVWFVXQLAK-SECBINFHSA-N -1 1 356.383 -0.385 20 0 FBADMM CN1CCO[C@H](CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000826045521 607602133 /nfs/dbraw/zinc/60/21/33/607602133.db2.gz XYUKPVWFVXQLAK-SECBINFHSA-N -1 1 356.383 -0.385 20 0 FBADMM CN1CCO[C@@H](CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000826045522 607602432 /nfs/dbraw/zinc/60/24/32/607602432.db2.gz XYUKPVWFVXQLAK-VIFPVBQESA-N -1 1 356.383 -0.385 20 0 FBADMM CN1CCO[C@@H](CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000826045522 607602431 /nfs/dbraw/zinc/60/24/31/607602431.db2.gz XYUKPVWFVXQLAK-VIFPVBQESA-N -1 1 356.383 -0.385 20 0 FBADMM CN1Cc2ccccc2[C@H](Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000826050807 607935762 /nfs/dbraw/zinc/93/57/62/607935762.db2.gz DXELTFCHEWAHBF-GFCCVEGCSA-N -1 1 368.401 -0.137 20 0 FBADMM CN1Cc2ccccc2[C@@H](Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000826050808 607936519 /nfs/dbraw/zinc/93/65/19/607936519.db2.gz DXELTFCHEWAHBF-LBPRGKRZSA-N -1 1 368.401 -0.137 20 0 FBADMM CNC(=O)C1(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCC1 ZINC000826053222 608558307 /nfs/dbraw/zinc/55/83/07/608558307.db2.gz WTJWPBUIKFMJTN-UHFFFAOYSA-N -1 1 361.410 -0.521 20 0 FBADMM CNC(=O)C1(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCC1 ZINC000826053222 608558305 /nfs/dbraw/zinc/55/83/05/608558305.db2.gz WTJWPBUIKFMJTN-UHFFFAOYSA-N -1 1 361.410 -0.521 20 0 FBADMM C[C@H](C(=O)[O-])[C@H](NCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000826053454 601202585 /nfs/dbraw/zinc/20/25/85/601202585.db2.gz JDNPQNYKDCNQBG-HZMBPMFUSA-N -1 1 374.397 -0.100 20 0 FBADMM C[C@H](C(=O)[O-])[C@@H](NCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000826053455 601202541 /nfs/dbraw/zinc/20/25/41/601202541.db2.gz JDNPQNYKDCNQBG-IINYFYTJSA-N -1 1 374.397 -0.100 20 0 FBADMM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000826053456 601202665 /nfs/dbraw/zinc/20/26/65/601202665.db2.gz JDNPQNYKDCNQBG-QMTHXVAHSA-N -1 1 374.397 -0.100 20 0 FBADMM C[C@@H](C(=O)[O-])[C@H](NCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000826053457 601202562 /nfs/dbraw/zinc/20/25/62/601202562.db2.gz JDNPQNYKDCNQBG-YGRLFVJLSA-N -1 1 374.397 -0.100 20 0 FBADMM CNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCO1 ZINC000826059999 609400094 /nfs/dbraw/zinc/40/00/94/609400094.db2.gz DTHUNDHZELAABF-LLVKDONJSA-N -1 1 370.366 -0.859 20 0 FBADMM CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCO1 ZINC000826060000 609399982 /nfs/dbraw/zinc/39/99/82/609399982.db2.gz DTHUNDHZELAABF-NSHDSACASA-N -1 1 370.366 -0.859 20 0 FBADMM CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826060035 607591905 /nfs/dbraw/zinc/59/19/05/607591905.db2.gz FKNWYKGXAWFBSV-SECBINFHSA-N -1 1 354.367 -0.095 20 0 FBADMM CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826060035 607591904 /nfs/dbraw/zinc/59/19/04/607591904.db2.gz FKNWYKGXAWFBSV-SECBINFHSA-N -1 1 354.367 -0.095 20 0 FBADMM CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826060036 607591980 /nfs/dbraw/zinc/59/19/80/607591980.db2.gz FKNWYKGXAWFBSV-VIFPVBQESA-N -1 1 354.367 -0.095 20 0 FBADMM CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826060036 607591979 /nfs/dbraw/zinc/59/19/79/607591979.db2.gz FKNWYKGXAWFBSV-VIFPVBQESA-N -1 1 354.367 -0.095 20 0 FBADMM CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826060060 608240007 /nfs/dbraw/zinc/24/00/07/608240007.db2.gz GBTLNYVNPMKJON-NXEZZACHSA-N -1 1 351.392 -0.545 20 0 FBADMM CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826060060 608240005 /nfs/dbraw/zinc/24/00/05/608240005.db2.gz GBTLNYVNPMKJON-NXEZZACHSA-N -1 1 351.392 -0.545 20 0 FBADMM CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826060061 608239991 /nfs/dbraw/zinc/23/99/91/608239991.db2.gz GBTLNYVNPMKJON-UWVGGRQHSA-N -1 1 351.392 -0.545 20 0 FBADMM CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826060061 608239989 /nfs/dbraw/zinc/23/99/89/608239989.db2.gz GBTLNYVNPMKJON-UWVGGRQHSA-N -1 1 351.392 -0.545 20 0 FBADMM CNC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826060062 608239844 /nfs/dbraw/zinc/23/98/44/608239844.db2.gz GBTLNYVNPMKJON-VHSXEESVSA-N -1 1 351.392 -0.545 20 0 FBADMM CNC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826060062 608239843 /nfs/dbraw/zinc/23/98/43/608239843.db2.gz GBTLNYVNPMKJON-VHSXEESVSA-N -1 1 351.392 -0.545 20 0 FBADMM CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826060063 608240108 /nfs/dbraw/zinc/24/01/08/608240108.db2.gz GBTLNYVNPMKJON-ZJUUUORDSA-N -1 1 351.392 -0.545 20 0 FBADMM CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826060063 608240107 /nfs/dbraw/zinc/24/01/07/608240107.db2.gz GBTLNYVNPMKJON-ZJUUUORDSA-N -1 1 351.392 -0.545 20 0 FBADMM CNC(=O)[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000826060246 609400250 /nfs/dbraw/zinc/40/02/50/609400250.db2.gz JEOSJUBCHBIIMJ-SECBINFHSA-N -1 1 370.366 -0.859 20 0 FBADMM CNC(=O)[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000826060246 609400249 /nfs/dbraw/zinc/40/02/49/609400249.db2.gz JEOSJUBCHBIIMJ-SECBINFHSA-N -1 1 370.366 -0.859 20 0 FBADMM CNC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000826060247 609399856 /nfs/dbraw/zinc/39/98/56/609399856.db2.gz JEOSJUBCHBIIMJ-VIFPVBQESA-N -1 1 370.366 -0.859 20 0 FBADMM CNC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000826060247 609399854 /nfs/dbraw/zinc/39/98/54/609399854.db2.gz JEOSJUBCHBIIMJ-VIFPVBQESA-N -1 1 370.366 -0.859 20 0 FBADMM CNC(=O)[C@@H]1CN(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000826060304 609430384 /nfs/dbraw/zinc/43/03/84/609430384.db2.gz KNFDPGYSEODVIT-JTQLQIEISA-N -1 1 363.378 -0.538 20 0 FBADMM CNC(=O)[C@H]1CN(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000826060305 609430509 /nfs/dbraw/zinc/43/05/09/609430509.db2.gz KNFDPGYSEODVIT-SNVBAGLBSA-N -1 1 363.378 -0.538 20 0 FBADMM CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000826060563 609399819 /nfs/dbraw/zinc/39/98/19/609399819.db2.gz OUTUWMODSRCDHH-JTQLQIEISA-N -1 1 370.366 -0.859 20 0 FBADMM CNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000826060564 609399950 /nfs/dbraw/zinc/39/99/50/609399950.db2.gz OUTUWMODSRCDHH-SNVBAGLBSA-N -1 1 370.366 -0.859 20 0 FBADMM CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826061046 607592182 /nfs/dbraw/zinc/59/21/82/607592182.db2.gz YXRRJVLTHGHYKT-JTQLQIEISA-N -1 1 354.367 -0.095 20 0 FBADMM CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826061047 607592377 /nfs/dbraw/zinc/59/23/77/607592377.db2.gz YXRRJVLTHGHYKT-SNVBAGLBSA-N -1 1 354.367 -0.095 20 0 FBADMM CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826068400 607907887 /nfs/dbraw/zinc/90/78/87/607907887.db2.gz SHWZSJCTPPFGOH-NSHDSACASA-N -1 1 353.408 -0.299 20 0 FBADMM CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826068400 607907886 /nfs/dbraw/zinc/90/78/86/607907886.db2.gz SHWZSJCTPPFGOH-NSHDSACASA-N -1 1 353.408 -0.299 20 0 FBADMM CNC(=O)c1cccc(OCC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000826073135 608005615 /nfs/dbraw/zinc/00/56/15/608005615.db2.gz GMVLUDVQIHQVCQ-UHFFFAOYSA-N -1 1 356.346 -0.023 20 0 FBADMM CNC(=O)c1cccc(OCC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000826073135 608005614 /nfs/dbraw/zinc/00/56/14/608005614.db2.gz GMVLUDVQIHQVCQ-UHFFFAOYSA-N -1 1 356.346 -0.023 20 0 FBADMM CNS(=O)(=O)[C@@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000826083754 607542129 /nfs/dbraw/zinc/54/21/29/607542129.db2.gz PSTKDDGICDBBFM-SECBINFHSA-N -1 1 360.403 -0.062 20 0 FBADMM CNS(=O)(=O)[C@@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000826083754 607542128 /nfs/dbraw/zinc/54/21/28/607542128.db2.gz PSTKDDGICDBBFM-SECBINFHSA-N -1 1 360.403 -0.062 20 0 FBADMM CNS(=O)(=O)[C@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000826083755 607542135 /nfs/dbraw/zinc/54/21/35/607542135.db2.gz PSTKDDGICDBBFM-VIFPVBQESA-N -1 1 360.403 -0.062 20 0 FBADMM CNS(=O)(=O)[C@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000826083755 607542133 /nfs/dbraw/zinc/54/21/33/607542133.db2.gz PSTKDDGICDBBFM-VIFPVBQESA-N -1 1 360.403 -0.062 20 0 FBADMM CNS(=O)(=O)[C@@H]1CCCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000826084285 661107524 /nfs/dbraw/zinc/10/75/24/661107524.db2.gz XWMANFCBAPKDGV-SECBINFHSA-N -1 1 369.407 -0.754 20 0 FBADMM CNS(=O)(=O)[C@@H]1CCCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000826084285 661107521 /nfs/dbraw/zinc/10/75/21/661107521.db2.gz XWMANFCBAPKDGV-SECBINFHSA-N -1 1 369.407 -0.754 20 0 FBADMM CNS(=O)(=O)[C@H]1CCCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000826084286 661107561 /nfs/dbraw/zinc/10/75/61/661107561.db2.gz XWMANFCBAPKDGV-VIFPVBQESA-N -1 1 369.407 -0.754 20 0 FBADMM CNS(=O)(=O)[C@H]1CCCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000826084286 661107560 /nfs/dbraw/zinc/10/75/60/661107560.db2.gz XWMANFCBAPKDGV-VIFPVBQESA-N -1 1 369.407 -0.754 20 0 FBADMM CNS(=O)(=O)c1c[nH]c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826090574 607600273 /nfs/dbraw/zinc/60/02/73/607600273.db2.gz JEOJFULHDFIETA-UHFFFAOYSA-N -1 1 363.359 -0.145 20 0 FBADMM CNS(=O)(=O)c1c[nH]c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826090574 607600271 /nfs/dbraw/zinc/60/02/71/607600271.db2.gz JEOJFULHDFIETA-UHFFFAOYSA-N -1 1 363.359 -0.145 20 0 FBADMM CNS(=O)(=O)C[C@H]1CCCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826090722 661107564 /nfs/dbraw/zinc/10/75/64/661107564.db2.gz MMTHJDQLTZSUBX-SECBINFHSA-N -1 1 369.407 -0.754 20 0 FBADMM CNS(=O)(=O)C[C@H]1CCCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826090722 661107563 /nfs/dbraw/zinc/10/75/63/661107563.db2.gz MMTHJDQLTZSUBX-SECBINFHSA-N -1 1 369.407 -0.754 20 0 FBADMM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826090723 661107629 /nfs/dbraw/zinc/10/76/29/661107629.db2.gz MMTHJDQLTZSUBX-VIFPVBQESA-N -1 1 369.407 -0.754 20 0 FBADMM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826090723 661107627 /nfs/dbraw/zinc/10/76/27/661107627.db2.gz MMTHJDQLTZSUBX-VIFPVBQESA-N -1 1 369.407 -0.754 20 0 FBADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCN(C(=O)CN(C)C)CC1 ZINC000826101734 603653342 /nfs/dbraw/zinc/65/33/42/603653342.db2.gz PODDNQREFUGQCT-AAEUAGOBSA-N -1 1 356.423 -0.278 20 0 FBADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCN(C(=O)CN(C)C)CC1 ZINC000826101735 603653418 /nfs/dbraw/zinc/65/34/18/603653418.db2.gz PODDNQREFUGQCT-DGCLKSJQSA-N -1 1 356.423 -0.278 20 0 FBADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCN(C(=O)CN(C)C)CC1 ZINC000826101736 603653534 /nfs/dbraw/zinc/65/35/34/603653534.db2.gz PODDNQREFUGQCT-WCQYABFASA-N -1 1 356.423 -0.278 20 0 FBADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCN(C(=O)CN(C)C)CC1 ZINC000826101737 603653631 /nfs/dbraw/zinc/65/36/31/603653631.db2.gz PODDNQREFUGQCT-YPMHNXCESA-N -1 1 356.423 -0.278 20 0 FBADMM COC(=O)[C@@H](CC(F)F)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826102902 608057214 /nfs/dbraw/zinc/05/72/14/608057214.db2.gz AGYIYJZGFMLIOJ-MRVPVSSYSA-N -1 1 362.318 -0.263 20 0 FBADMM COC(=O)[C@@H](CC(F)F)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826102902 608057213 /nfs/dbraw/zinc/05/72/13/608057213.db2.gz AGYIYJZGFMLIOJ-MRVPVSSYSA-N -1 1 362.318 -0.263 20 0 FBADMM COC(=O)[C@H](CC(F)F)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826102903 608057205 /nfs/dbraw/zinc/05/72/05/608057205.db2.gz AGYIYJZGFMLIOJ-QMMMGPOBSA-N -1 1 362.318 -0.263 20 0 FBADMM COC(=O)[C@H](CC(F)F)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826102903 608057204 /nfs/dbraw/zinc/05/72/04/608057204.db2.gz AGYIYJZGFMLIOJ-QMMMGPOBSA-N -1 1 362.318 -0.263 20 0 FBADMM COC(=O)[C@@H](O)C1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000826112108 607619922 /nfs/dbraw/zinc/61/99/22/607619922.db2.gz SJMJIHFOBDRZJK-JTQLQIEISA-N -1 1 364.366 -0.622 20 0 FBADMM COC(=O)[C@@H](O)C1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000826112108 607619919 /nfs/dbraw/zinc/61/99/19/607619919.db2.gz SJMJIHFOBDRZJK-JTQLQIEISA-N -1 1 364.366 -0.622 20 0 FBADMM COC(=O)[C@H](O)C1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000826112109 607620054 /nfs/dbraw/zinc/62/00/54/607620054.db2.gz SJMJIHFOBDRZJK-SNVBAGLBSA-N -1 1 364.366 -0.622 20 0 FBADMM COC(=O)[C@H](O)C1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000826112109 607620053 /nfs/dbraw/zinc/62/00/53/607620053.db2.gz SJMJIHFOBDRZJK-SNVBAGLBSA-N -1 1 364.366 -0.622 20 0 FBADMM COC(=O)[C@@]1(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)CCSC1 ZINC000826123537 661108514 /nfs/dbraw/zinc/10/85/14/661108514.db2.gz GALJFDJFUQUPNM-CYBMUJFWSA-N -1 1 352.376 -0.129 20 0 FBADMM COC(=O)[C@@]1(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)CCSC1 ZINC000826123537 661108513 /nfs/dbraw/zinc/10/85/13/661108513.db2.gz GALJFDJFUQUPNM-CYBMUJFWSA-N -1 1 352.376 -0.129 20 0 FBADMM COC(=O)[C@]1(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)CCSC1 ZINC000826123539 661108480 /nfs/dbraw/zinc/10/84/80/661108480.db2.gz GALJFDJFUQUPNM-ZDUSSCGKSA-N -1 1 352.376 -0.129 20 0 FBADMM COC(=O)[C@]1(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)CCSC1 ZINC000826123539 661108479 /nfs/dbraw/zinc/10/84/79/661108479.db2.gz GALJFDJFUQUPNM-ZDUSSCGKSA-N -1 1 352.376 -0.129 20 0 FBADMM COC(=O)[C@@]1(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCOC1 ZINC000826124099 607669387 /nfs/dbraw/zinc/66/93/87/607669387.db2.gz OKLDJRKXRDPRJI-CYBMUJFWSA-N -1 1 371.350 -0.384 20 0 FBADMM COC(=O)[C@]1(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCOC1 ZINC000826124100 607669381 /nfs/dbraw/zinc/66/93/81/607669381.db2.gz OKLDJRKXRDPRJI-ZDUSSCGKSA-N -1 1 371.350 -0.384 20 0 FBADMM COC(=O)[C@]1(NCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCOC1 ZINC000826124563 608459289 /nfs/dbraw/zinc/45/92/89/608459289.db2.gz UNSOTGLLNDSJEP-HNNXBMFYSA-N -1 1 364.362 -0.063 20 0 FBADMM COC(=O)[C@@]1(NCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCOC1 ZINC000826124564 608459168 /nfs/dbraw/zinc/45/91/68/608459168.db2.gz UNSOTGLLNDSJEP-OAHLLOKOSA-N -1 1 364.362 -0.063 20 0 FBADMM COC(=O)[C@@]1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCSC1 ZINC000826124823 607973459 /nfs/dbraw/zinc/97/34/59/607973459.db2.gz WRBAIRDXEWIHFE-GFCCVEGCSA-N -1 1 370.416 -0.411 20 0 FBADMM COC(=O)[C@@]1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCSC1 ZINC000826124823 607973458 /nfs/dbraw/zinc/97/34/58/607973458.db2.gz WRBAIRDXEWIHFE-GFCCVEGCSA-N -1 1 370.416 -0.411 20 0 FBADMM COC(=O)[C@]1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCSC1 ZINC000826124824 607973737 /nfs/dbraw/zinc/97/37/37/607973737.db2.gz WRBAIRDXEWIHFE-LBPRGKRZSA-N -1 1 370.416 -0.411 20 0 FBADMM COC(=O)[C@]1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCSC1 ZINC000826124824 607973736 /nfs/dbraw/zinc/97/37/36/607973736.db2.gz WRBAIRDXEWIHFE-LBPRGKRZSA-N -1 1 370.416 -0.411 20 0 FBADMM COC(=O)[C@@]1(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCOC1 ZINC000826124842 607669546 /nfs/dbraw/zinc/66/95/46/607669546.db2.gz XDQATBMPPOOUCV-CYBMUJFWSA-N -1 1 371.350 -0.384 20 0 FBADMM COC(=O)[C@@]1(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCOC1 ZINC000826124842 607669544 /nfs/dbraw/zinc/66/95/44/607669544.db2.gz XDQATBMPPOOUCV-CYBMUJFWSA-N -1 1 371.350 -0.384 20 0 FBADMM COC(=O)[C@]1(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCOC1 ZINC000826124843 607669551 /nfs/dbraw/zinc/66/95/51/607669551.db2.gz XDQATBMPPOOUCV-ZDUSSCGKSA-N -1 1 371.350 -0.384 20 0 FBADMM COC(=O)[C@]1(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCOC1 ZINC000826124843 607669550 /nfs/dbraw/zinc/66/95/50/607669550.db2.gz XDQATBMPPOOUCV-ZDUSSCGKSA-N -1 1 371.350 -0.384 20 0 FBADMM O=C(NC[C@@]12COCCN1C(=O)COC2)c1ccc2n[n-]c(=S)n2c1 ZINC000826125644 661108476 /nfs/dbraw/zinc/10/84/76/661108476.db2.gz MLBILPJRTUOIIC-HNNXBMFYSA-N -1 1 363.399 -0.624 20 0 FBADMM O=C(NC[C@]12COCCN1C(=O)COC2)c1ccc2n[n-]c(=S)n2c1 ZINC000826125645 661108546 /nfs/dbraw/zinc/10/85/46/661108546.db2.gz MLBILPJRTUOIIC-OAHLLOKOSA-N -1 1 363.399 -0.624 20 0 FBADMM COC(=O)C1(O)CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000826129288 608813624 /nfs/dbraw/zinc/81/36/24/608813624.db2.gz OHAHLJPEZNGOQI-UHFFFAOYSA-N -1 1 350.339 -0.868 20 0 FBADMM COC(=O)C1(O)CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000826129288 608813621 /nfs/dbraw/zinc/81/36/21/608813621.db2.gz OHAHLJPEZNGOQI-UHFFFAOYSA-N -1 1 350.339 -0.868 20 0 FBADMM COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826129585 609472696 /nfs/dbraw/zinc/47/26/96/609472696.db2.gz VXRWYVVIHXADIA-GXSJLCMTSA-N -1 1 364.362 -0.115 20 0 FBADMM COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826129585 609472693 /nfs/dbraw/zinc/47/26/93/609472693.db2.gz VXRWYVVIHXADIA-GXSJLCMTSA-N -1 1 364.362 -0.115 20 0 FBADMM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826129586 609472353 /nfs/dbraw/zinc/47/23/53/609472353.db2.gz VXRWYVVIHXADIA-KOLCDFICSA-N -1 1 364.362 -0.115 20 0 FBADMM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826129586 609472351 /nfs/dbraw/zinc/47/23/51/609472351.db2.gz VXRWYVVIHXADIA-KOLCDFICSA-N -1 1 364.362 -0.115 20 0 FBADMM COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826129587 609472653 /nfs/dbraw/zinc/47/26/53/609472653.db2.gz VXRWYVVIHXADIA-MWLCHTKSSA-N -1 1 364.362 -0.115 20 0 FBADMM COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826129587 609472652 /nfs/dbraw/zinc/47/26/52/609472652.db2.gz VXRWYVVIHXADIA-MWLCHTKSSA-N -1 1 364.362 -0.115 20 0 FBADMM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826129588 609472430 /nfs/dbraw/zinc/47/24/30/609472430.db2.gz VXRWYVVIHXADIA-ONGXEEELSA-N -1 1 364.362 -0.115 20 0 FBADMM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826129588 609472429 /nfs/dbraw/zinc/47/24/29/609472429.db2.gz VXRWYVVIHXADIA-ONGXEEELSA-N -1 1 364.362 -0.115 20 0 FBADMM COC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](C(=O)OC)C1 ZINC000826132331 609622925 /nfs/dbraw/zinc/62/29/25/609622925.db2.gz CKQDKPNGQHZSJK-BXKDBHETSA-N -1 1 374.357 -0.172 20 0 FBADMM COC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](C(=O)OC)C1 ZINC000826132331 609622924 /nfs/dbraw/zinc/62/29/24/609622924.db2.gz CKQDKPNGQHZSJK-BXKDBHETSA-N -1 1 374.357 -0.172 20 0 FBADMM COC(=O)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](C(=O)OC)C1 ZINC000826132332 609622533 /nfs/dbraw/zinc/62/25/33/609622533.db2.gz CKQDKPNGQHZSJK-CABZTGNLSA-N -1 1 374.357 -0.172 20 0 FBADMM COC(=O)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](C(=O)OC)C1 ZINC000826132332 609622531 /nfs/dbraw/zinc/62/25/31/609622531.db2.gz CKQDKPNGQHZSJK-CABZTGNLSA-N -1 1 374.357 -0.172 20 0 FBADMM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826132333 609622831 /nfs/dbraw/zinc/62/28/31/609622831.db2.gz CKQDKPNGQHZSJK-JOYOIKCWSA-N -1 1 374.357 -0.172 20 0 FBADMM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826132333 609622830 /nfs/dbraw/zinc/62/28/30/609622830.db2.gz CKQDKPNGQHZSJK-JOYOIKCWSA-N -1 1 374.357 -0.172 20 0 FBADMM COC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](C(=O)OC)C1 ZINC000826132334 609622814 /nfs/dbraw/zinc/62/28/14/609622814.db2.gz CKQDKPNGQHZSJK-SKDRFNHKSA-N -1 1 374.357 -0.172 20 0 FBADMM COC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](C(=O)OC)C1 ZINC000826132334 609622812 /nfs/dbraw/zinc/62/28/12/609622812.db2.gz CKQDKPNGQHZSJK-SKDRFNHKSA-N -1 1 374.357 -0.172 20 0 FBADMM COC(=O)CN(CCN1CCOCC1)Cc1ccc(-c2nn[n-]n2)o1 ZINC000826138038 608695206 /nfs/dbraw/zinc/69/52/06/608695206.db2.gz CGTQWDKBCVVKHE-UHFFFAOYSA-N -1 1 350.379 -0.233 20 0 FBADMM COC(=O)CN(CCN1CCOCC1)Cc1ccc(-c2nnn[n-]2)o1 ZINC000826138038 608695204 /nfs/dbraw/zinc/69/52/04/608695204.db2.gz CGTQWDKBCVVKHE-UHFFFAOYSA-N -1 1 350.379 -0.233 20 0 FBADMM COC(=O)CN(CCc1ccccc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826138127 609300761 /nfs/dbraw/zinc/30/07/61/609300761.db2.gz FSIOXPLTZFZTCQ-UHFFFAOYSA-N -1 1 370.373 -0.298 20 0 FBADMM COC(=O)CN(CCN1CCOCC1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826138209 607501105 /nfs/dbraw/zinc/50/11/05/607501105.db2.gz KLRIGUONKAKRON-UHFFFAOYSA-N -1 1 361.406 -0.431 20 0 FBADMM COC1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCOCC1 ZINC000826144058 607556201 /nfs/dbraw/zinc/55/62/01/607556201.db2.gz ASYZLCUAAOZDAD-UHFFFAOYSA-N -1 1 354.392 -0.264 20 0 FBADMM COC1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCOCC1 ZINC000826144058 607556199 /nfs/dbraw/zinc/55/61/99/607556199.db2.gz ASYZLCUAAOZDAD-UHFFFAOYSA-N -1 1 354.392 -0.264 20 0 FBADMM COCC(=O)N(C)CC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826147863 608005653 /nfs/dbraw/zinc/00/56/53/608005653.db2.gz OEWRMTUNBHKNIM-UHFFFAOYSA-N -1 1 350.383 -0.139 20 0 FBADMM COCC(=O)N(C)CC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826147863 608005652 /nfs/dbraw/zinc/00/56/52/608005652.db2.gz OEWRMTUNBHKNIM-UHFFFAOYSA-N -1 1 350.383 -0.139 20 0 FBADMM COC[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826148129 608359251 /nfs/dbraw/zinc/35/92/51/608359251.db2.gz ABEZGJJSSXNJJL-MRVPVSSYSA-N -1 1 350.383 -0.092 20 0 FBADMM COC[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826148129 608359250 /nfs/dbraw/zinc/35/92/50/608359250.db2.gz ABEZGJJSSXNJJL-MRVPVSSYSA-N -1 1 350.383 -0.092 20 0 FBADMM COC[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826148130 608339216 /nfs/dbraw/zinc/33/92/16/608339216.db2.gz ABEZGJJSSXNJJL-QMMMGPOBSA-N -1 1 350.383 -0.092 20 0 FBADMM COC[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826148130 608339215 /nfs/dbraw/zinc/33/92/15/608339215.db2.gz ABEZGJJSSXNJJL-QMMMGPOBSA-N -1 1 350.383 -0.092 20 0 FBADMM COC[C@](C)(CC(=O)OC)NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826148337 661109429 /nfs/dbraw/zinc/10/94/29/661109429.db2.gz GCCZFKGUHYBWNV-AWEZNQCLSA-N -1 1 352.351 -0.210 20 0 FBADMM COC[C@](C)(CC(=O)OC)NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826148337 661109427 /nfs/dbraw/zinc/10/94/27/661109427.db2.gz GCCZFKGUHYBWNV-AWEZNQCLSA-N -1 1 352.351 -0.210 20 0 FBADMM COC[C@@](C)(CC(=O)OC)NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826148338 661109319 /nfs/dbraw/zinc/10/93/19/661109319.db2.gz GCCZFKGUHYBWNV-CQSZACIVSA-N -1 1 352.351 -0.210 20 0 FBADMM COC[C@@](C)(CC(=O)OC)NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826148338 661109317 /nfs/dbraw/zinc/10/93/17/661109317.db2.gz GCCZFKGUHYBWNV-CQSZACIVSA-N -1 1 352.351 -0.210 20 0 FBADMM COC[C@@](C)(NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(=O)OC ZINC000826148648 607669561 /nfs/dbraw/zinc/66/95/61/607669561.db2.gz NOCWCGPIBYGLQX-CYBMUJFWSA-N -1 1 373.366 -0.138 20 0 FBADMM COC[C@](C)(NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(=O)OC ZINC000826148649 607669526 /nfs/dbraw/zinc/66/95/26/607669526.db2.gz NOCWCGPIBYGLQX-ZDUSSCGKSA-N -1 1 373.366 -0.138 20 0 FBADMM COC[C@@](C)(NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)OC ZINC000826148886 607669364 /nfs/dbraw/zinc/66/93/64/607669364.db2.gz SYSGFDQKSLNGNY-CYBMUJFWSA-N -1 1 373.366 -0.138 20 0 FBADMM COC[C@@](C)(NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)OC ZINC000826148886 607669362 /nfs/dbraw/zinc/66/93/62/607669362.db2.gz SYSGFDQKSLNGNY-CYBMUJFWSA-N -1 1 373.366 -0.138 20 0 FBADMM COC[C@](C)(NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)OC ZINC000826148887 607669587 /nfs/dbraw/zinc/66/95/87/607669587.db2.gz SYSGFDQKSLNGNY-ZDUSSCGKSA-N -1 1 373.366 -0.138 20 0 FBADMM COC[C@](C)(NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)OC ZINC000826148887 607669585 /nfs/dbraw/zinc/66/95/85/607669585.db2.gz SYSGFDQKSLNGNY-ZDUSSCGKSA-N -1 1 373.366 -0.138 20 0 FBADMM COC[C@@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)OC ZINC000826149289 609315099 /nfs/dbraw/zinc/31/50/99/609315099.db2.gz DYAIOEKSCUTXPG-SECBINFHSA-N -1 1 367.414 -0.593 20 0 FBADMM COC[C@@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)OC ZINC000826149289 609315096 /nfs/dbraw/zinc/31/50/96/609315096.db2.gz DYAIOEKSCUTXPG-SECBINFHSA-N -1 1 367.414 -0.593 20 0 FBADMM COC[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)OC ZINC000826149290 609314919 /nfs/dbraw/zinc/31/49/19/609314919.db2.gz DYAIOEKSCUTXPG-VIFPVBQESA-N -1 1 367.414 -0.593 20 0 FBADMM COC[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)OC ZINC000826149290 609314917 /nfs/dbraw/zinc/31/49/17/609314917.db2.gz DYAIOEKSCUTXPG-VIFPVBQESA-N -1 1 367.414 -0.593 20 0 FBADMM COC[C@@H](NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1)C(N)=O ZINC000826150326 608008668 /nfs/dbraw/zinc/00/86/68/608008668.db2.gz BFYVMSXRDORCKN-SECBINFHSA-N -1 1 359.346 -0.211 20 0 FBADMM COC[C@@H](NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1)C(N)=O ZINC000826150326 608008667 /nfs/dbraw/zinc/00/86/67/608008667.db2.gz BFYVMSXRDORCKN-SECBINFHSA-N -1 1 359.346 -0.211 20 0 FBADMM COC[C@H](NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1)C(N)=O ZINC000826150327 608008500 /nfs/dbraw/zinc/00/85/00/608008500.db2.gz BFYVMSXRDORCKN-VIFPVBQESA-N -1 1 359.346 -0.211 20 0 FBADMM COC[C@H](NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1)C(N)=O ZINC000826150327 608008499 /nfs/dbraw/zinc/00/84/99/608008499.db2.gz BFYVMSXRDORCKN-VIFPVBQESA-N -1 1 359.346 -0.211 20 0 FBADMM COC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)OC ZINC000826151528 609333865 /nfs/dbraw/zinc/33/38/65/609333865.db2.gz CSRZUKWDOFSXPW-MRVPVSSYSA-N -1 1 359.339 -0.528 20 0 FBADMM COC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)OC ZINC000826151528 609333863 /nfs/dbraw/zinc/33/38/63/609333863.db2.gz CSRZUKWDOFSXPW-MRVPVSSYSA-N -1 1 359.339 -0.528 20 0 FBADMM COC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)OC ZINC000826151529 609333936 /nfs/dbraw/zinc/33/39/36/609333936.db2.gz CSRZUKWDOFSXPW-QMMMGPOBSA-N -1 1 359.339 -0.528 20 0 FBADMM COC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)OC ZINC000826151529 609333934 /nfs/dbraw/zinc/33/39/34/609333934.db2.gz CSRZUKWDOFSXPW-QMMMGPOBSA-N -1 1 359.339 -0.528 20 0 FBADMM COC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(=O)OC ZINC000826151604 609333715 /nfs/dbraw/zinc/33/37/15/609333715.db2.gz FRQMXSZZFSIBRV-SECBINFHSA-N -1 1 359.339 -0.528 20 0 FBADMM COC[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(=O)OC ZINC000826151605 609333377 /nfs/dbraw/zinc/33/33/77/609333377.db2.gz FRQMXSZZFSIBRV-VIFPVBQESA-N -1 1 359.339 -0.528 20 0 FBADMM COC[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C(N)=O ZINC000826152120 607976273 /nfs/dbraw/zinc/97/62/73/607976273.db2.gz RFHBSYVYBPKBBD-SSDOTTSWSA-N -1 1 360.783 -0.701 20 0 FBADMM COC[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C(N)=O ZINC000826152120 607976272 /nfs/dbraw/zinc/97/62/72/607976272.db2.gz RFHBSYVYBPKBBD-SSDOTTSWSA-N -1 1 360.783 -0.701 20 0 FBADMM COC[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C(N)=O ZINC000826152121 607976286 /nfs/dbraw/zinc/97/62/86/607976286.db2.gz RFHBSYVYBPKBBD-ZETCQYMHSA-N -1 1 360.783 -0.701 20 0 FBADMM COC[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C(N)=O ZINC000826152121 607976285 /nfs/dbraw/zinc/97/62/85/607976285.db2.gz RFHBSYVYBPKBBD-ZETCQYMHSA-N -1 1 360.783 -0.701 20 0 FBADMM COCC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(N)=O ZINC000826154851 608590036 /nfs/dbraw/zinc/59/00/36/608590036.db2.gz YYEFADHJGHURPF-SECBINFHSA-N -1 1 358.355 -0.826 20 0 FBADMM COCC[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(N)=O ZINC000826154852 608590312 /nfs/dbraw/zinc/59/03/12/608590312.db2.gz YYEFADHJGHURPF-VIFPVBQESA-N -1 1 358.355 -0.826 20 0 FBADMM COCC[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C(N)=O ZINC000826154989 608590266 /nfs/dbraw/zinc/59/02/66/608590266.db2.gz BYANNIJILUCSMQ-MRVPVSSYSA-N -1 1 374.810 -0.311 20 0 FBADMM COCC[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C(N)=O ZINC000826154989 608590264 /nfs/dbraw/zinc/59/02/64/608590264.db2.gz BYANNIJILUCSMQ-MRVPVSSYSA-N -1 1 374.810 -0.311 20 0 FBADMM COCC[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C(N)=O ZINC000826154990 608590356 /nfs/dbraw/zinc/59/03/56/608590356.db2.gz BYANNIJILUCSMQ-QMMMGPOBSA-N -1 1 374.810 -0.311 20 0 FBADMM COCC[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C(N)=O ZINC000826154990 608590355 /nfs/dbraw/zinc/59/03/55/608590355.db2.gz BYANNIJILUCSMQ-QMMMGPOBSA-N -1 1 374.810 -0.311 20 0 FBADMM COCC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(N)=O ZINC000826155713 608590518 /nfs/dbraw/zinc/59/05/18/608590518.db2.gz ZDUWTLSTIUCOOZ-MRVPVSSYSA-N -1 1 358.355 -0.826 20 0 FBADMM COCC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(N)=O ZINC000826155713 608590515 /nfs/dbraw/zinc/59/05/15/608590515.db2.gz ZDUWTLSTIUCOOZ-MRVPVSSYSA-N -1 1 358.355 -0.826 20 0 FBADMM COCC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(N)=O ZINC000826155714 608590164 /nfs/dbraw/zinc/59/01/64/608590164.db2.gz ZDUWTLSTIUCOOZ-QMMMGPOBSA-N -1 1 358.355 -0.826 20 0 FBADMM COCC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(N)=O ZINC000826155714 608590162 /nfs/dbraw/zinc/59/01/62/608590162.db2.gz ZDUWTLSTIUCOOZ-QMMMGPOBSA-N -1 1 358.355 -0.826 20 0 FBADMM COCCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826156347 608339050 /nfs/dbraw/zinc/33/90/50/608339050.db2.gz ZDUQJBZZAXXBST-UHFFFAOYSA-N -1 1 350.383 -0.091 20 0 FBADMM COCCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826156347 608339049 /nfs/dbraw/zinc/33/90/49/608339049.db2.gz ZDUQJBZZAXXBST-UHFFFAOYSA-N -1 1 350.383 -0.091 20 0 FBADMM COCCCOCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826156513 661109235 /nfs/dbraw/zinc/10/92/35/661109235.db2.gz HECVCLVAEBUZGX-UHFFFAOYSA-N -1 1 352.399 -0.384 20 0 FBADMM COCCCOCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826156513 661109234 /nfs/dbraw/zinc/10/92/34/661109234.db2.gz HECVCLVAEBUZGX-UHFFFAOYSA-N -1 1 352.399 -0.384 20 0 FBADMM COCCCNC(=O)CN(C)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826156580 661109238 /nfs/dbraw/zinc/10/92/38/661109238.db2.gz KOZSPMMKOROBTM-UHFFFAOYSA-N -1 1 351.367 -0.683 20 0 FBADMM COCCCNC(=O)CN(C)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826156580 661109237 /nfs/dbraw/zinc/10/92/37/661109237.db2.gz KOZSPMMKOROBTM-UHFFFAOYSA-N -1 1 351.367 -0.683 20 0 FBADMM COCCCS(=O)(=O)NCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826156951 607613201 /nfs/dbraw/zinc/61/32/01/607613201.db2.gz BEAKNTNTFGYFIY-UHFFFAOYSA-N -1 1 370.391 -0.739 20 0 FBADMM COCCCS(=O)(=O)NCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826156951 607613200 /nfs/dbraw/zinc/61/32/00/607613200.db2.gz BEAKNTNTFGYFIY-UHFFFAOYSA-N -1 1 370.391 -0.739 20 0 FBADMM COCCCS(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826157136 608434658 /nfs/dbraw/zinc/43/46/58/608434658.db2.gz JDOGWLWFHBHBPA-UHFFFAOYSA-N -1 1 368.423 -0.855 20 0 FBADMM COCCCS(=O)(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826157136 608434656 /nfs/dbraw/zinc/43/46/56/608434656.db2.gz JDOGWLWFHBHBPA-UHFFFAOYSA-N -1 1 368.423 -0.855 20 0 FBADMM COCCCS(=O)(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826157274 608848025 /nfs/dbraw/zinc/84/80/25/608848025.db2.gz OKWBPLRNUBQWOJ-UHFFFAOYSA-N -1 1 370.435 -0.056 20 0 FBADMM COCCCS(=O)(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826157274 608848023 /nfs/dbraw/zinc/84/80/23/608848023.db2.gz OKWBPLRNUBQWOJ-UHFFFAOYSA-N -1 1 370.435 -0.056 20 0 FBADMM COCCCOCCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826157311 608308717 /nfs/dbraw/zinc/30/87/17/608308717.db2.gz QNDOZJJECFOUDK-UHFFFAOYSA-N -1 1 356.408 -0.065 20 0 FBADMM COCCCOCCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826157311 608308715 /nfs/dbraw/zinc/30/87/15/608308715.db2.gz QNDOZJJECFOUDK-UHFFFAOYSA-N -1 1 356.408 -0.065 20 0 FBADMM COCCN(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826157581 608347235 /nfs/dbraw/zinc/34/72/35/608347235.db2.gz BPHCZMSAXSZWHX-UHFFFAOYSA-N -1 1 350.383 -0.139 20 0 FBADMM COCCN(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826157581 608347233 /nfs/dbraw/zinc/34/72/33/608347233.db2.gz BPHCZMSAXSZWHX-UHFFFAOYSA-N -1 1 350.383 -0.139 20 0 FBADMM COCCN(CCC(=O)OC)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826157647 661109421 /nfs/dbraw/zinc/10/94/21/661109421.db2.gz FMOCSHAVEHKIGY-UHFFFAOYSA-N -1 1 352.351 -0.256 20 0 FBADMM COCCN(CCC(=O)OC)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826157647 661109419 /nfs/dbraw/zinc/10/94/19/661109419.db2.gz FMOCSHAVEHKIGY-UHFFFAOYSA-N -1 1 352.351 -0.256 20 0 FBADMM COCCN([C@H](C)C(N)=O)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826157655 607609652 /nfs/dbraw/zinc/60/96/52/607609652.db2.gz FUHZDTVCHRWVLQ-MRVPVSSYSA-N -1 1 372.382 -0.483 20 0 FBADMM COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826157656 607609683 /nfs/dbraw/zinc/60/96/83/607609683.db2.gz FUHZDTVCHRWVLQ-QMMMGPOBSA-N -1 1 372.382 -0.483 20 0 FBADMM COCCN([C@H](C)C(N)=O)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826157690 607610108 /nfs/dbraw/zinc/61/01/08/607610108.db2.gz HLNCQHLUIRWHOM-MRVPVSSYSA-N -1 1 372.382 -0.483 20 0 FBADMM COCCN([C@H](C)C(N)=O)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826157690 607610107 /nfs/dbraw/zinc/61/01/07/607610107.db2.gz HLNCQHLUIRWHOM-MRVPVSSYSA-N -1 1 372.382 -0.483 20 0 FBADMM COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826157691 607610416 /nfs/dbraw/zinc/61/04/16/607610416.db2.gz HLNCQHLUIRWHOM-QMMMGPOBSA-N -1 1 372.382 -0.483 20 0 FBADMM COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826157691 607610414 /nfs/dbraw/zinc/61/04/14/607610414.db2.gz HLNCQHLUIRWHOM-QMMMGPOBSA-N -1 1 372.382 -0.483 20 0 FBADMM COCCN(CC(=O)N(C)C)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826157725 661109226 /nfs/dbraw/zinc/10/92/26/661109226.db2.gz IMEFZKGBZPZKHA-UHFFFAOYSA-N -1 1 351.367 -0.731 20 0 FBADMM COCCN(CC(=O)N(C)C)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826157725 661109225 /nfs/dbraw/zinc/10/92/25/661109225.db2.gz IMEFZKGBZPZKHA-UHFFFAOYSA-N -1 1 351.367 -0.731 20 0 FBADMM COCCN(CC(=O)OC)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826157829 607615403 /nfs/dbraw/zinc/61/54/03/607615403.db2.gz NKXIZRPQNUGDAM-UHFFFAOYSA-N -1 1 373.366 -0.184 20 0 FBADMM COCCN(CC(=O)OC)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826158045 607615377 /nfs/dbraw/zinc/61/53/77/607615377.db2.gz XSCFMEGXNBEHOA-UHFFFAOYSA-N -1 1 373.366 -0.184 20 0 FBADMM COCCN(CC(=O)OC)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826158045 607615376 /nfs/dbraw/zinc/61/53/76/607615376.db2.gz XSCFMEGXNBEHOA-UHFFFAOYSA-N -1 1 373.366 -0.184 20 0 FBADMM COCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826159577 609354041 /nfs/dbraw/zinc/35/40/41/609354041.db2.gz KMLPIXAJBBXPMV-UHFFFAOYSA-N -1 1 374.336 -0.107 20 0 FBADMM COCCN(Cc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000826159609 608037298 /nfs/dbraw/zinc/03/72/98/608037298.db2.gz LJHBKCLGADHDLW-GFCCVEGCSA-N -1 1 352.420 -0.103 20 0 FBADMM COCCN(Cc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000826159609 608037297 /nfs/dbraw/zinc/03/72/97/608037297.db2.gz LJHBKCLGADHDLW-GFCCVEGCSA-N -1 1 352.420 -0.103 20 0 FBADMM COCCN(Cc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000826159610 608037462 /nfs/dbraw/zinc/03/74/62/608037462.db2.gz LJHBKCLGADHDLW-LBPRGKRZSA-N -1 1 352.420 -0.103 20 0 FBADMM COCCN(Cc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000826159610 608037461 /nfs/dbraw/zinc/03/74/61/608037461.db2.gz LJHBKCLGADHDLW-LBPRGKRZSA-N -1 1 352.420 -0.103 20 0 FBADMM COCCNC(=O)CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826160155 607580221 /nfs/dbraw/zinc/58/02/21/607580221.db2.gz HLVNRTNHWXPBCT-UHFFFAOYSA-N -1 1 358.355 -0.953 20 0 FBADMM COCCNC(=O)CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826160188 607580443 /nfs/dbraw/zinc/58/04/43/607580443.db2.gz IKGOELYWPPNQLV-UHFFFAOYSA-N -1 1 358.355 -0.953 20 0 FBADMM COCCNC(=O)CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826160188 607580441 /nfs/dbraw/zinc/58/04/41/607580441.db2.gz IKGOELYWPPNQLV-UHFFFAOYSA-N -1 1 358.355 -0.953 20 0 FBADMM COCCNC(=O)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826160269 607580126 /nfs/dbraw/zinc/58/01/26/607580126.db2.gz LWQIEPHRJZSZIG-UHFFFAOYSA-N -1 1 374.810 -0.439 20 0 FBADMM COCCNC(=O)CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826160269 607580125 /nfs/dbraw/zinc/58/01/25/607580125.db2.gz LWQIEPHRJZSZIG-UHFFFAOYSA-N -1 1 374.810 -0.439 20 0 FBADMM COCCNC(=O)CN1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000826160324 607477671 /nfs/dbraw/zinc/47/76/71/607477671.db2.gz ODOOQQXQHMPIDR-UHFFFAOYSA-N -1 1 360.422 -0.858 20 0 FBADMM COCCNC(=O)CN1CCN(c2nc(-c3nn[n-]n3)ccc2C)CC1 ZINC000826160361 608542476 /nfs/dbraw/zinc/54/24/76/608542476.db2.gz PELSVWPTNAVGLZ-UHFFFAOYSA-N -1 1 360.422 -0.545 20 0 FBADMM COCCOCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826160772 608556627 /nfs/dbraw/zinc/55/66/27/608556627.db2.gz FXNSYGSGKUVQHD-UHFFFAOYSA-N -1 1 352.399 -0.384 20 0 FBADMM COCCOCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826160772 608556625 /nfs/dbraw/zinc/55/66/25/608556625.db2.gz FXNSYGSGKUVQHD-UHFFFAOYSA-N -1 1 352.399 -0.384 20 0 FBADMM COCCOCCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826161176 609300743 /nfs/dbraw/zinc/30/07/43/609300743.db2.gz WWCDALPPWDXEHJ-UHFFFAOYSA-N -1 1 367.414 -0.591 20 0 FBADMM COCCOCCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826161176 609300741 /nfs/dbraw/zinc/30/07/41/609300741.db2.gz WWCDALPPWDXEHJ-UHFFFAOYSA-N -1 1 367.414 -0.591 20 0 FBADMM COCc1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)ncn1 ZINC000826164113 608268011 /nfs/dbraw/zinc/26/80/11/608268011.db2.gz AZMYHXYJBABSID-UHFFFAOYSA-N -1 1 373.381 -0.137 20 0 FBADMM COCc1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)ncn1 ZINC000826164113 608268010 /nfs/dbraw/zinc/26/80/10/608268010.db2.gz AZMYHXYJBABSID-UHFFFAOYSA-N -1 1 373.381 -0.137 20 0 FBADMM COCc1noc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000826165729 609270817 /nfs/dbraw/zinc/27/08/17/609270817.db2.gz IADYTYGRKIACPT-JTQLQIEISA-N -1 1 372.393 -0.103 20 0 FBADMM COCc1noc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000826165729 609270816 /nfs/dbraw/zinc/27/08/16/609270816.db2.gz IADYTYGRKIACPT-JTQLQIEISA-N -1 1 372.393 -0.103 20 0 FBADMM COCc1noc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000826165730 609271006 /nfs/dbraw/zinc/27/10/06/609271006.db2.gz IADYTYGRKIACPT-SNVBAGLBSA-N -1 1 372.393 -0.103 20 0 FBADMM COCc1noc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000826165730 609271005 /nfs/dbraw/zinc/27/10/05/609271005.db2.gz IADYTYGRKIACPT-SNVBAGLBSA-N -1 1 372.393 -0.103 20 0 FBADMM COCc1nc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)no1 ZINC000826166222 609139149 /nfs/dbraw/zinc/13/91/49/609139149.db2.gz ZMCWVRCQVLUUKV-JTQLQIEISA-N -1 1 372.393 -0.103 20 0 FBADMM COCc1nc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)no1 ZINC000826166222 609139148 /nfs/dbraw/zinc/13/91/48/609139148.db2.gz ZMCWVRCQVLUUKV-JTQLQIEISA-N -1 1 372.393 -0.103 20 0 FBADMM COCc1nc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)no1 ZINC000826166223 609139499 /nfs/dbraw/zinc/13/94/99/609139499.db2.gz ZMCWVRCQVLUUKV-SNVBAGLBSA-N -1 1 372.393 -0.103 20 0 FBADMM COCc1nc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)no1 ZINC000826166223 609139498 /nfs/dbraw/zinc/13/94/98/609139498.db2.gz ZMCWVRCQVLUUKV-SNVBAGLBSA-N -1 1 372.393 -0.103 20 0 FBADMM CON(C)C(=O)CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826166552 608402536 /nfs/dbraw/zinc/40/25/36/608402536.db2.gz QISFXDIDLLLRCW-UHFFFAOYSA-N -1 1 362.394 -0.126 20 0 FBADMM COc1cc(CN(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)ccc1O ZINC000826179527 608076498 /nfs/dbraw/zinc/07/64/98/608076498.db2.gz RXFGJLIQPHBKCA-UHFFFAOYSA-N -1 1 373.373 -0.385 20 0 FBADMM COc1cc(NCCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc(OC)c1 ZINC000826180515 607758504 /nfs/dbraw/zinc/75/85/04/607758504.db2.gz KYNVXBYASULJDD-UHFFFAOYSA-N -1 1 373.377 -0.296 20 0 FBADMM COc1ccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1-n1cnnn1 ZINC000826187101 609393249 /nfs/dbraw/zinc/39/32/49/609393249.db2.gz ACJCFKQRHPBOKG-UHFFFAOYSA-N -1 1 367.333 -0.163 20 0 FBADMM COc1ccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1-n1cnnn1 ZINC000826187101 609393246 /nfs/dbraw/zinc/39/32/46/609393246.db2.gz ACJCFKQRHPBOKG-UHFFFAOYSA-N -1 1 367.333 -0.163 20 0 FBADMM COc1ccc([C@@H](CCO)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000826188732 608078710 /nfs/dbraw/zinc/07/87/10/608078710.db2.gz DYZQHNVEGBVVLH-GFCCVEGCSA-N -1 1 358.362 -0.293 20 0 FBADMM COc1ccc([C@H](CCO)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000826188733 608078535 /nfs/dbraw/zinc/07/85/35/608078535.db2.gz DYZQHNVEGBVVLH-LBPRGKRZSA-N -1 1 358.362 -0.293 20 0 FBADMM COc1ccc(C)cc1C(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000826190346 608095497 /nfs/dbraw/zinc/09/54/97/608095497.db2.gz XXBLJGXEEKREDJ-UHFFFAOYSA-N -1 1 356.342 -0.073 20 0 FBADMM COc1ccc(CN(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cn1 ZINC000826192904 607676715 /nfs/dbraw/zinc/67/67/15/607676715.db2.gz HLLPJZHINSOSHE-UHFFFAOYSA-N -1 1 358.362 -0.696 20 0 FBADMM COc1ccc(CN(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1O ZINC000826193052 608016272 /nfs/dbraw/zinc/01/62/72/608016272.db2.gz NYHGIQODMQEZKT-UHFFFAOYSA-N -1 1 373.373 -0.385 20 0 FBADMM COc1ccc(CNC(=O)CCn2cc[n-]c(=O)c2=O)cc1-c1nn[nH]n1 ZINC000826196751 607592335 /nfs/dbraw/zinc/59/23/35/607592335.db2.gz MWCOKROZWGGSEW-UHFFFAOYSA-N -1 1 371.357 -0.568 20 0 FBADMM COc1ccc(COCCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000826206803 608592448 /nfs/dbraw/zinc/59/24/48/608592448.db2.gz LTOFWOJWKQKPGK-UHFFFAOYSA-N -1 1 358.362 -0.200 20 0 FBADMM COc1ccc(COCCn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)cc1 ZINC000826206823 608095583 /nfs/dbraw/zinc/09/55/83/608095583.db2.gz MRGLRKFGLUALPV-UHFFFAOYSA-N -1 1 358.358 -0.048 20 0 FBADMM COc1ccc2c(c1)OC[C@@H](NC(=O)Cn1cnc(-c3nn[n-]n3)n1)C2 ZINC000826213271 608476641 /nfs/dbraw/zinc/47/66/41/608476641.db2.gz REIKKEFQKOOFPE-JTQLQIEISA-N -1 1 356.346 -0.413 20 0 FBADMM COc1ccc2c(c1)OC[C@H](NC(=O)Cn1cnc(-c3nn[n-]n3)n1)C2 ZINC000826213272 608476870 /nfs/dbraw/zinc/47/68/70/608476870.db2.gz REIKKEFQKOOFPE-SNVBAGLBSA-N -1 1 356.346 -0.413 20 0 FBADMM COc1ccccc1CN(CCO)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826219410 607995001 /nfs/dbraw/zinc/99/50/01/607995001.db2.gz BBPDGGUQVSSRGB-UHFFFAOYSA-N -1 1 358.362 -0.512 20 0 FBADMM COc1ccccc1N(CCC(N)=O)C(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000826220726 608013360 /nfs/dbraw/zinc/01/33/60/608013360.db2.gz XVIMEGODIDVRLD-UHFFFAOYSA-N -1 1 370.373 -0.020 20 0 FBADMM COc1ccccc1N(CCC(N)=O)C(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000826220726 608013359 /nfs/dbraw/zinc/01/33/59/608013359.db2.gz XVIMEGODIDVRLD-UHFFFAOYSA-N -1 1 370.373 -0.020 20 0 FBADMM COc1ncc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cn1 ZINC000826221816 608556558 /nfs/dbraw/zinc/55/65/58/608556558.db2.gz WHYIICCVHHFESK-UHFFFAOYSA-N -1 1 358.366 -0.325 20 0 FBADMM COc1ncc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cn1 ZINC000826221816 608556556 /nfs/dbraw/zinc/55/65/56/608556556.db2.gz WHYIICCVHHFESK-UHFFFAOYSA-N -1 1 358.366 -0.325 20 0 FBADMM CS(=O)(=O)CCN(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826222580 607811947 /nfs/dbraw/zinc/81/19/47/607811947.db2.gz CLPISIFVWPATIK-UHFFFAOYSA-N -1 1 372.432 -0.541 20 0 FBADMM CS(=O)(=O)CCN(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826222580 607811946 /nfs/dbraw/zinc/81/19/46/607811946.db2.gz CLPISIFVWPATIK-UHFFFAOYSA-N -1 1 372.432 -0.541 20 0 FBADMM CS(=O)(=O)CCN1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826222768 661110010 /nfs/dbraw/zinc/11/00/10/661110010.db2.gz MDAMJZOPVIXADH-UHFFFAOYSA-N -1 1 352.424 -0.422 20 0 FBADMM CS(=O)(=O)CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826222833 607590314 /nfs/dbraw/zinc/59/03/14/607590314.db2.gz OQLMGSVNZRNKGM-UHFFFAOYSA-N -1 1 365.824 -0.157 20 0 FBADMM CS(=O)(=O)CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826222833 607590313 /nfs/dbraw/zinc/59/03/13/607590313.db2.gz OQLMGSVNZRNKGM-UHFFFAOYSA-N -1 1 365.824 -0.157 20 0 FBADMM CS(=O)(=O)CCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826222895 607594376 /nfs/dbraw/zinc/59/43/76/607594376.db2.gz RTYGCAKTPVDXCN-UHFFFAOYSA-N -1 1 363.396 -0.281 20 0 FBADMM CS(=O)(=O)CCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826222895 607594374 /nfs/dbraw/zinc/59/43/74/607594374.db2.gz RTYGCAKTPVDXCN-UHFFFAOYSA-N -1 1 363.396 -0.281 20 0 FBADMM CS(=O)(=O)CCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826222930 607593887 /nfs/dbraw/zinc/59/38/87/607593887.db2.gz UFOWAONJHALTQF-UHFFFAOYSA-N -1 1 363.396 -0.281 20 0 FBADMM CS(=O)(=O)CCS(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826223064 607867870 /nfs/dbraw/zinc/86/78/70/607867870.db2.gz ZYPBMVNAOPVFRS-UHFFFAOYSA-N -1 1 350.353 -0.241 20 0 FBADMM CS(=O)(=O)CCS(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826223064 607867869 /nfs/dbraw/zinc/86/78/69/607867869.db2.gz ZYPBMVNAOPVFRS-UHFFFAOYSA-N -1 1 350.353 -0.241 20 0 FBADMM CS(=O)(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000826223156 607794700 /nfs/dbraw/zinc/79/47/00/607794700.db2.gz CPERQSNNCIRPGU-SECBINFHSA-N -1 1 351.392 -0.727 20 0 FBADMM CS(=O)(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000826223156 607794699 /nfs/dbraw/zinc/79/46/99/607794699.db2.gz CPERQSNNCIRPGU-SECBINFHSA-N -1 1 351.392 -0.727 20 0 FBADMM CS(=O)(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000826223157 607794545 /nfs/dbraw/zinc/79/45/45/607794545.db2.gz CPERQSNNCIRPGU-VIFPVBQESA-N -1 1 351.392 -0.727 20 0 FBADMM CS(=O)(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000826223157 607794544 /nfs/dbraw/zinc/79/45/44/607794544.db2.gz CPERQSNNCIRPGU-VIFPVBQESA-N -1 1 351.392 -0.727 20 0 FBADMM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826223185 607795990 /nfs/dbraw/zinc/79/59/90/607795990.db2.gz DLPUFRXRDBZAAT-SNVBAGLBSA-N -1 1 351.392 -0.585 20 0 FBADMM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826223185 607795989 /nfs/dbraw/zinc/79/59/89/607795989.db2.gz DLPUFRXRDBZAAT-SNVBAGLBSA-N -1 1 351.392 -0.585 20 0 FBADMM CS(=O)(=O)NCC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000826223190 608429769 /nfs/dbraw/zinc/42/97/69/608429769.db2.gz DNVLCLUXVNTVRX-JTQLQIEISA-N -1 1 352.424 -0.045 20 0 FBADMM CS(=O)(=O)NCC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000826223190 608429767 /nfs/dbraw/zinc/42/97/67/608429767.db2.gz DNVLCLUXVNTVRX-JTQLQIEISA-N -1 1 352.424 -0.045 20 0 FBADMM CS(=O)(=O)NCC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000826223191 608429445 /nfs/dbraw/zinc/42/94/45/608429445.db2.gz DNVLCLUXVNTVRX-SNVBAGLBSA-N -1 1 352.424 -0.045 20 0 FBADMM CS(=O)(=O)NCC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000826223191 608429443 /nfs/dbraw/zinc/42/94/43/608429443.db2.gz DNVLCLUXVNTVRX-SNVBAGLBSA-N -1 1 352.424 -0.045 20 0 FBADMM CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826223410 661109631 /nfs/dbraw/zinc/10/96/31/661109631.db2.gz LVMNTSWLHMNZDW-JTQLQIEISA-N -1 1 352.376 -0.065 20 0 FBADMM CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826223411 607996861 /nfs/dbraw/zinc/99/68/61/607996861.db2.gz LVMNTSWLHMNZDW-SNVBAGLBSA-N -1 1 352.376 -0.065 20 0 FBADMM CS(=O)(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000826223564 607795060 /nfs/dbraw/zinc/79/50/60/607795060.db2.gz RMZOPQWVXRZSIH-MRVPVSSYSA-N -1 1 356.433 -0.061 20 0 FBADMM CS(=O)(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000826223564 607795059 /nfs/dbraw/zinc/79/50/59/607795059.db2.gz RMZOPQWVXRZSIH-MRVPVSSYSA-N -1 1 356.433 -0.061 20 0 FBADMM CS(=O)(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000826223565 607794852 /nfs/dbraw/zinc/79/48/52/607794852.db2.gz RMZOPQWVXRZSIH-QMMMGPOBSA-N -1 1 356.433 -0.061 20 0 FBADMM CS(=O)(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000826223565 607794851 /nfs/dbraw/zinc/79/48/51/607794851.db2.gz RMZOPQWVXRZSIH-QMMMGPOBSA-N -1 1 356.433 -0.061 20 0 FBADMM CS(=O)(=O)N1CCN(CCNc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000826223676 607897264 /nfs/dbraw/zinc/89/72/64/607897264.db2.gz VXSWPALKKZFXDC-UHFFFAOYSA-N -1 1 352.424 -0.749 20 0 FBADMM CS(=O)(=O)N1CCN(CCNc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000826223676 607897263 /nfs/dbraw/zinc/89/72/63/607897263.db2.gz VXSWPALKKZFXDC-UHFFFAOYSA-N -1 1 352.424 -0.749 20 0 FBADMM CSCC[C@@H](O)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826228739 608557638 /nfs/dbraw/zinc/55/76/38/608557638.db2.gz YOFZOVHOVCNCNX-SECBINFHSA-N -1 1 354.440 -0.323 20 0 FBADMM CSCC[C@@H](O)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826228739 608557637 /nfs/dbraw/zinc/55/76/37/608557637.db2.gz YOFZOVHOVCNCNX-SECBINFHSA-N -1 1 354.440 -0.323 20 0 FBADMM CSCC[C@H](O)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826228740 608557259 /nfs/dbraw/zinc/55/72/59/608557259.db2.gz YOFZOVHOVCNCNX-VIFPVBQESA-N -1 1 354.440 -0.323 20 0 FBADMM CSCC[C@H](O)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826228740 608557257 /nfs/dbraw/zinc/55/72/57/608557257.db2.gz YOFZOVHOVCNCNX-VIFPVBQESA-N -1 1 354.440 -0.323 20 0 FBADMM CSc1[nH]c(=O)c(C(=O)N2C[C@H](CO)OC[C@H]2C)cc1-c1nn[n-]n1 ZINC000826229397 608187391 /nfs/dbraw/zinc/18/73/91/608187391.db2.gz CNGPQIRJSLOPRE-HTQZYQBOSA-N -1 1 366.403 -0.089 20 0 FBADMM CSc1[nH]c(=O)c(C(=O)N2C[C@H](CO)OC[C@@H]2C)cc1-c1nn[n-]n1 ZINC000826229398 608187195 /nfs/dbraw/zinc/18/71/95/608187195.db2.gz CNGPQIRJSLOPRE-JGVFFNPUSA-N -1 1 366.403 -0.089 20 0 FBADMM CSc1[nH]c(=O)c(C(=O)N2C[C@@H](CO)OC[C@H]2C)cc1-c1nn[n-]n1 ZINC000826229399 608187285 /nfs/dbraw/zinc/18/72/85/608187285.db2.gz CNGPQIRJSLOPRE-SFYZADRCSA-N -1 1 366.403 -0.089 20 0 FBADMM CSc1[nH]c(=O)c(C(=O)N2C[C@@H](CO)OC[C@@H]2C)cc1-c1nn[n-]n1 ZINC000826229400 608187276 /nfs/dbraw/zinc/18/72/76/608187276.db2.gz CNGPQIRJSLOPRE-YUMQZZPRSA-N -1 1 366.403 -0.089 20 0 FBADMM CSc1[nH]c(=O)c(C(=O)NCC(=O)NCC2CC2)cc1-c1nn[n-]n1 ZINC000826229661 609403497 /nfs/dbraw/zinc/40/34/97/609403497.db2.gz MMLDSDTWRMAPHY-UHFFFAOYSA-N -1 1 363.403 -0.055 20 0 FBADMM CSc1cc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)ccn1 ZINC000826230297 608241741 /nfs/dbraw/zinc/24/17/41/608241741.db2.gz MUUWFFUXXUSQEV-UHFFFAOYSA-N -1 1 360.403 -0.007 20 0 FBADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1S(C)(=O)=O ZINC000826232549 661110034 /nfs/dbraw/zinc/11/00/34/661110034.db2.gz VYUWFJXDHOYIOC-VIFPVBQESA-N -1 1 351.392 -0.632 20 0 FBADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1S(C)(=O)=O ZINC000826232549 661110033 /nfs/dbraw/zinc/11/00/33/661110033.db2.gz VYUWFJXDHOYIOC-VIFPVBQESA-N -1 1 351.392 -0.632 20 0 FBADMM C[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCN1S(C)(=O)=O ZINC000826232585 661110077 /nfs/dbraw/zinc/11/00/77/661110077.db2.gz ZBSHXOOBXWBNQB-QMMMGPOBSA-N -1 1 369.411 -0.902 20 0 FBADMM C[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCN1S(C)(=O)=O ZINC000826232585 661110075 /nfs/dbraw/zinc/11/00/75/661110075.db2.gz ZBSHXOOBXWBNQB-QMMMGPOBSA-N -1 1 369.411 -0.902 20 0 FBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)[C@@H]1CCNC1=O ZINC000826232741 608011145 /nfs/dbraw/zinc/01/11/45/608011145.db2.gz GSUGZDLKPRCBSK-LLVKDONJSA-N -1 1 359.390 -0.136 20 0 FBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)[C@H]1CCNC1=O ZINC000826232742 608010980 /nfs/dbraw/zinc/01/09/80/608010980.db2.gz GSUGZDLKPRCBSK-NSHDSACASA-N -1 1 359.390 -0.136 20 0 FBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1[C@@H]2CO[C@@H]3[C@H]1CO[C@H]23 ZINC000826232752 607963481 /nfs/dbraw/zinc/96/34/81/607963481.db2.gz HDLPYUHMNVFYLO-YIKOMLBNSA-N -1 1 372.385 -0.106 20 0 FBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)C[C@H](O)CO ZINC000826232821 608863657 /nfs/dbraw/zinc/86/36/57/608863657.db2.gz JYIZDPNXXWSPFB-JTQLQIEISA-N -1 1 350.379 -0.672 20 0 FBADMM Cc1c(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cnn1C ZINC000826236212 609310583 /nfs/dbraw/zinc/31/05/83/609310583.db2.gz CNAVHONVCCWLBZ-UHFFFAOYSA-N -1 1 373.425 -0.012 20 0 FBADMM Cc1c(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cnn1C ZINC000826236212 609310582 /nfs/dbraw/zinc/31/05/82/609310582.db2.gz CNAVHONVCCWLBZ-UHFFFAOYSA-N -1 1 373.425 -0.012 20 0 FBADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N(CCN(C)C)CC(=O)[O-] ZINC000826255362 608010370 /nfs/dbraw/zinc/01/03/70/608010370.db2.gz VHENCMRPNQIYJV-UHFFFAOYSA-N -1 1 368.419 -0.188 20 0 FBADMM Cc1cc(C(=O)NCc2nn[n-]n2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259847 609228305 /nfs/dbraw/zinc/22/83/05/609228305.db2.gz JJFKTCXVNAMPSW-UHFFFAOYSA-N -1 1 351.334 -0.196 20 0 FBADMM Cc1cc(C)nc(N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)n1 ZINC000826265709 608188924 /nfs/dbraw/zinc/18/89/24/608188924.db2.gz JZTIZSAUAPADBZ-UHFFFAOYSA-N -1 1 369.393 -0.786 20 0 FBADMM Cc1cc(NC(=O)CN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)no1 ZINC000826269612 607988670 /nfs/dbraw/zinc/98/86/70/607988670.db2.gz RJBPLLQOZFGDLA-UHFFFAOYSA-N -1 1 370.377 -0.286 20 0 FBADMM Cc1cc(NC(=O)CN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)no1 ZINC000826269612 607988669 /nfs/dbraw/zinc/98/86/69/607988669.db2.gz RJBPLLQOZFGDLA-UHFFFAOYSA-N -1 1 370.377 -0.286 20 0 FBADMM Cc1cc(N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)n2ncnc2n1 ZINC000826269834 607990012 /nfs/dbraw/zinc/99/00/12/607990012.db2.gz ZARLDSXIMUZUIU-UHFFFAOYSA-N -1 1 364.377 -0.271 20 0 FBADMM Cc1cc(N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)n2ncnc2n1 ZINC000826269834 607990011 /nfs/dbraw/zinc/99/00/11/607990011.db2.gz ZARLDSXIMUZUIU-UHFFFAOYSA-N -1 1 364.377 -0.271 20 0 FBADMM Cc1cc(S(N)(=O)=O)cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1C ZINC000826272517 607780940 /nfs/dbraw/zinc/78/09/40/607780940.db2.gz OAEIUENXOUMWGK-UHFFFAOYSA-N -1 1 362.375 -0.402 20 0 FBADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N(CCN(C)C)CC(=O)[O-] ZINC000826279057 608010124 /nfs/dbraw/zinc/01/01/24/608010124.db2.gz DNHALIRUDZXAKI-UHFFFAOYSA-N -1 1 368.419 -0.188 20 0 FBADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000826280753 608540883 /nfs/dbraw/zinc/54/08/83/608540883.db2.gz OEVWTSVRDVPHRP-GFCCVEGCSA-N -1 1 363.447 -0.121 20 0 FBADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000826280754 608541892 /nfs/dbraw/zinc/54/18/92/608541892.db2.gz OEVWTSVRDVPHRP-LBPRGKRZSA-N -1 1 363.447 -0.121 20 0 FBADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000826280889 608542683 /nfs/dbraw/zinc/54/26/83/608542683.db2.gz UTHMUZWFTRUWDY-UHFFFAOYSA-N -1 1 372.433 -0.449 20 0 FBADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000826281010 608541532 /nfs/dbraw/zinc/54/15/32/608541532.db2.gz ZKWAKYKHJQBBOV-UHFFFAOYSA-N -1 1 372.433 -0.449 20 0 FBADMM Cc1ccc(NC(=O)Cn2ccnc2-c2nn[n-]n2)cc1S(N)(=O)=O ZINC000826291283 608149262 /nfs/dbraw/zinc/14/92/62/608149262.db2.gz XYXDGPXZPZFWHX-UHFFFAOYSA-N -1 1 362.375 -0.342 20 0 FBADMM Cc1ccc(NC(=O)Cn2ccnc2-c2nnn[n-]2)cc1S(N)(=O)=O ZINC000826291283 608149260 /nfs/dbraw/zinc/14/92/60/608149260.db2.gz XYXDGPXZPZFWHX-UHFFFAOYSA-N -1 1 362.375 -0.342 20 0 FBADMM Cc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1S(C)(=O)=O ZINC000826291303 608002426 /nfs/dbraw/zinc/00/24/26/608002426.db2.gz YXOAFAFSJVLOGA-UHFFFAOYSA-N -1 1 362.375 -0.191 20 0 FBADMM Cc1cccc(CNC(=O)Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)c1 ZINC000826298533 608096426 /nfs/dbraw/zinc/09/64/26/608096426.db2.gz XHOJAWMFTVCZNF-UHFFFAOYSA-N -1 1 355.358 -0.648 20 0 FBADMM Cc1cccc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])c1-c1nn[nH]n1 ZINC000826300959 608010378 /nfs/dbraw/zinc/01/03/78/608010378.db2.gz MXQRWDSINWNFLT-UHFFFAOYSA-N -1 1 368.419 -0.188 20 0 FBADMM Cc1cccn2cc(CNc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)nc12 ZINC000826308032 608667612 /nfs/dbraw/zinc/66/76/12/608667612.db2.gz GNJFUYRJIGQEOJ-UHFFFAOYSA-N -1 1 367.373 -0.168 20 0 FBADMM Cc1ccsc1CNC(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000826316412 608095769 /nfs/dbraw/zinc/09/57/69/608095769.db2.gz NKJBHKZHDBQCJR-UHFFFAOYSA-N -1 1 361.387 -0.587 20 0 FBADMM Cc1cnc(CCN(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)s1 ZINC000826318507 607849400 /nfs/dbraw/zinc/84/94/00/607849400.db2.gz MDUSPDNLZAUKBL-UHFFFAOYSA-N -1 1 362.419 -0.292 20 0 FBADMM Cc1cnn(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826320622 609303552 /nfs/dbraw/zinc/30/35/52/609303552.db2.gz XKORNYPRTIQOAQ-UHFFFAOYSA-N -1 1 373.425 -0.049 20 0 FBADMM Cc1cnn(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826320622 609303550 /nfs/dbraw/zinc/30/35/50/609303550.db2.gz XKORNYPRTIQOAQ-UHFFFAOYSA-N -1 1 373.425 -0.049 20 0 FBADMM Cc1nc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)no1 ZINC000826323771 608311447 /nfs/dbraw/zinc/31/14/47/608311447.db2.gz QMQCDOHXRAVOMA-MRVPVSSYSA-N -1 1 356.350 -0.301 20 0 FBADMM Cc1nc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)no1 ZINC000826323771 608311445 /nfs/dbraw/zinc/31/14/45/608311445.db2.gz QMQCDOHXRAVOMA-MRVPVSSYSA-N -1 1 356.350 -0.301 20 0 FBADMM Cc1nc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)no1 ZINC000826323772 608311938 /nfs/dbraw/zinc/31/19/38/608311938.db2.gz QMQCDOHXRAVOMA-QMMMGPOBSA-N -1 1 356.350 -0.301 20 0 FBADMM Cc1nc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)no1 ZINC000826323772 608311936 /nfs/dbraw/zinc/31/19/36/608311936.db2.gz QMQCDOHXRAVOMA-QMMMGPOBSA-N -1 1 356.350 -0.301 20 0 FBADMM Cc1nc([C@H]2COCCN2C(=O)Nc2nn(C)cc2-c2nn[n-]n2)no1 ZINC000826324799 609495351 /nfs/dbraw/zinc/49/53/51/609495351.db2.gz FLBWMODKMVZIPI-SECBINFHSA-N -1 1 360.338 -0.103 20 0 FBADMM Cc1nc([C@H]2COCCN2C(=O)Nc2nn(C)cc2-c2nnn[n-]2)no1 ZINC000826324799 609495349 /nfs/dbraw/zinc/49/53/49/609495349.db2.gz FLBWMODKMVZIPI-SECBINFHSA-N -1 1 360.338 -0.103 20 0 FBADMM Cc1nc([C@@H]2COCCN2C(=O)Nc2nn(C)cc2-c2nn[n-]n2)no1 ZINC000826324800 609495885 /nfs/dbraw/zinc/49/58/85/609495885.db2.gz FLBWMODKMVZIPI-VIFPVBQESA-N -1 1 360.338 -0.103 20 0 FBADMM Cc1nc([C@@H]2COCCN2C(=O)Nc2nn(C)cc2-c2nnn[n-]2)no1 ZINC000826324800 609495884 /nfs/dbraw/zinc/49/58/84/609495884.db2.gz FLBWMODKMVZIPI-VIFPVBQESA-N -1 1 360.338 -0.103 20 0 FBADMM Cc1nc([C@H]2CN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CCO2)no1 ZINC000826325161 609495953 /nfs/dbraw/zinc/49/59/53/609495953.db2.gz PISFRLHGIDFHNH-SECBINFHSA-N -1 1 360.338 -0.103 20 0 FBADMM Cc1nc([C@H]2CN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CCO2)no1 ZINC000826325161 609495951 /nfs/dbraw/zinc/49/59/51/609495951.db2.gz PISFRLHGIDFHNH-SECBINFHSA-N -1 1 360.338 -0.103 20 0 FBADMM Cc1nc([C@@H]2CN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CCO2)no1 ZINC000826325162 609495682 /nfs/dbraw/zinc/49/56/82/609495682.db2.gz PISFRLHGIDFHNH-VIFPVBQESA-N -1 1 360.338 -0.103 20 0 FBADMM Cc1nc([C@@H]2CN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CCO2)no1 ZINC000826325162 609495680 /nfs/dbraw/zinc/49/56/80/609495680.db2.gz PISFRLHGIDFHNH-VIFPVBQESA-N -1 1 360.338 -0.103 20 0 FBADMM Cc1nc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)ccc1[C@@H](C)O ZINC000826326629 608667382 /nfs/dbraw/zinc/66/73/82/608667382.db2.gz XUVKKZUSSMFTGT-SECBINFHSA-N -1 1 372.389 -0.367 20 0 FBADMM Cc1nc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)ccc1[C@H](C)O ZINC000826326630 608667461 /nfs/dbraw/zinc/66/74/61/608667461.db2.gz XUVKKZUSSMFTGT-VIFPVBQESA-N -1 1 372.389 -0.367 20 0 FBADMM Cc1nc(N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)sc1C ZINC000826327159 607823552 /nfs/dbraw/zinc/82/35/52/607823552.db2.gz VDXQWXDSWGROEC-UHFFFAOYSA-N -1 1 374.434 -0.120 20 0 FBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC(=O)N(C)C1 ZINC000826327375 609285758 /nfs/dbraw/zinc/28/57/58/609285758.db2.gz FMYYSAXAEKHKCN-UHFFFAOYSA-N -1 1 369.389 -0.283 20 0 FBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC(=O)N(C)C1 ZINC000826327375 609285756 /nfs/dbraw/zinc/28/57/56/609285756.db2.gz FMYYSAXAEKHKCN-UHFFFAOYSA-N -1 1 369.389 -0.283 20 0 FBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)C[C@H](O)CO ZINC000826327715 608864871 /nfs/dbraw/zinc/86/48/71/608864871.db2.gz RMAGGKGQJIVHII-NSHDSACASA-N -1 1 374.405 -0.730 20 0 FBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)C[C@H](O)CO ZINC000826327715 608864869 /nfs/dbraw/zinc/86/48/69/608864869.db2.gz RMAGGKGQJIVHII-NSHDSACASA-N -1 1 374.405 -0.730 20 0 FBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)[C@@H](C)C(N)=O ZINC000826327779 608272652 /nfs/dbraw/zinc/27/26/52/608272652.db2.gz UQCYNEFCRYLNPJ-JTQLQIEISA-N -1 1 371.405 -0.209 20 0 FBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)[C@@H](C)C(N)=O ZINC000826327779 608272651 /nfs/dbraw/zinc/27/26/51/608272651.db2.gz UQCYNEFCRYLNPJ-JTQLQIEISA-N -1 1 371.405 -0.209 20 0 FBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)[C@H](C)C(N)=O ZINC000826327780 608273158 /nfs/dbraw/zinc/27/31/58/608273158.db2.gz UQCYNEFCRYLNPJ-SNVBAGLBSA-N -1 1 371.405 -0.209 20 0 FBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)[C@H](C)C(N)=O ZINC000826327780 608273157 /nfs/dbraw/zinc/27/31/57/608273157.db2.gz UQCYNEFCRYLNPJ-SNVBAGLBSA-N -1 1 371.405 -0.209 20 0 FBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NN1CN=NC1=O ZINC000826328094 609285488 /nfs/dbraw/zinc/28/54/88/609285488.db2.gz GCIJFOTURFFXST-UHFFFAOYSA-N -1 1 369.349 -0.474 20 0 FBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NN1CN=NC1=O ZINC000826328094 609285487 /nfs/dbraw/zinc/28/54/87/609285487.db2.gz GCIJFOTURFFXST-UHFFFAOYSA-N -1 1 369.349 -0.474 20 0 FBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCCC(N)=O ZINC000826328374 607994400 /nfs/dbraw/zinc/99/44/00/607994400.db2.gz PABHLDCFZYVCSP-UHFFFAOYSA-N -1 1 358.362 -0.123 20 0 FBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCCC(N)=O ZINC000826328374 607994399 /nfs/dbraw/zinc/99/43/99/607994399.db2.gz PABHLDCFZYVCSP-UHFFFAOYSA-N -1 1 358.362 -0.123 20 0 FBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H](C)C(N)=O ZINC000826328687 609140139 /nfs/dbraw/zinc/14/01/39/609140139.db2.gz ZHCJNJGONRXRFG-QMMMGPOBSA-N -1 1 357.378 -0.551 20 0 FBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H](C)C(N)=O ZINC000826328687 609140136 /nfs/dbraw/zinc/14/01/36/609140136.db2.gz ZHCJNJGONRXRFG-QMMMGPOBSA-N -1 1 357.378 -0.551 20 0 FBADMM Cc1nccn1CCCN(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000826330679 607563859 /nfs/dbraw/zinc/56/38/59/607563859.db2.gz CYHUACMDMVPADD-UHFFFAOYSA-N -1 1 359.394 -0.704 20 0 FBADMM Cc1ncsc1-c1nc(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)no1 ZINC000826331524 608095790 /nfs/dbraw/zinc/09/57/90/608095790.db2.gz LYZRSVPRVDEIOX-UHFFFAOYSA-N -1 1 373.358 -0.410 20 0 FBADMM Cc1nn(C)c(C)c1CCCNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000826333320 608413768 /nfs/dbraw/zinc/41/37/68/608413768.db2.gz CMTFDXHOSAOYFM-UHFFFAOYSA-N -1 1 373.421 -0.341 20 0 FBADMM Cc1nn(C)c2c1N(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CCO2 ZINC000826334306 608589921 /nfs/dbraw/zinc/58/99/21/608589921.db2.gz PKUOGSAVEYXFKC-UHFFFAOYSA-N -1 1 362.375 -0.109 20 0 FBADMM Cc1nn(C)c2c1N(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CCO2 ZINC000826334306 608589919 /nfs/dbraw/zinc/58/99/19/608589919.db2.gz PKUOGSAVEYXFKC-UHFFFAOYSA-N -1 1 362.375 -0.109 20 0 FBADMM Cc1nnc2n1C[C@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC000826337139 609497864 /nfs/dbraw/zinc/49/78/64/609497864.db2.gz DEIQFGZARVGPRX-SECBINFHSA-N -1 1 361.391 -0.545 20 0 FBADMM Cc1nnc2n1C[C@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC000826337139 609497861 /nfs/dbraw/zinc/49/78/61/609497861.db2.gz DEIQFGZARVGPRX-SECBINFHSA-N -1 1 361.391 -0.545 20 0 FBADMM Cc1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC000826337140 609498113 /nfs/dbraw/zinc/49/81/13/609498113.db2.gz DEIQFGZARVGPRX-VIFPVBQESA-N -1 1 361.391 -0.545 20 0 FBADMM Cc1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC000826337140 609498112 /nfs/dbraw/zinc/49/81/12/609498112.db2.gz DEIQFGZARVGPRX-VIFPVBQESA-N -1 1 361.391 -0.545 20 0 FBADMM Cc1nncn1-c1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000826338535 608207216 /nfs/dbraw/zinc/20/72/16/608207216.db2.gz ZCROQOOLYHISKQ-UHFFFAOYSA-N -1 1 351.334 -0.014 20 0 FBADMM Cc1oc(NC(=O)CN2CCN(C(=O)CO)CC2)c(-c2nn[n-]n2)c1C ZINC000826341522 608003372 /nfs/dbraw/zinc/00/33/72/608003372.db2.gz JOLOPBZWUVFBSE-UHFFFAOYSA-N -1 1 363.378 -0.848 20 0 FBADMM Cc1oc(NC(=O)CN2CCSC[C@@H]2C(N)=O)c(-c2nn[n-]n2)c1C ZINC000826342110 608322253 /nfs/dbraw/zinc/32/22/53/608322253.db2.gz YJFBPXGDNSHYCP-SECBINFHSA-N -1 1 365.419 -0.082 20 0 FBADMM Cc1oc(NC(=O)CN2CCSC[C@H]2C(N)=O)c(-c2nn[n-]n2)c1C ZINC000826342111 608321871 /nfs/dbraw/zinc/32/18/71/608321871.db2.gz YJFBPXGDNSHYCP-VIFPVBQESA-N -1 1 365.419 -0.082 20 0 FBADMM Cc1onc(CC(=O)N(C)CC(C)(C)S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826342849 609468536 /nfs/dbraw/zinc/46/85/36/609468536.db2.gz CBPVKRWLTGHMCP-UHFFFAOYSA-N -1 1 356.408 -0.013 20 0 FBADMM Cc1onc(CC(=O)N(C)CC(C)(C)S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826342849 609468535 /nfs/dbraw/zinc/46/85/35/609468535.db2.gz CBPVKRWLTGHMCP-UHFFFAOYSA-N -1 1 356.408 -0.013 20 0 FBADMM Cc1onc(CC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826342864 661110099 /nfs/dbraw/zinc/11/00/99/661110099.db2.gz CPNPPSUYUIMVBC-APPZFPTMSA-N -1 1 356.408 -0.014 20 0 FBADMM Cc1onc(CC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826342864 661110095 /nfs/dbraw/zinc/11/00/95/661110095.db2.gz CPNPPSUYUIMVBC-APPZFPTMSA-N -1 1 356.408 -0.014 20 0 FBADMM Cc1onc(CC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826342865 661109843 /nfs/dbraw/zinc/10/98/43/661109843.db2.gz CPNPPSUYUIMVBC-CBAPKCEASA-N -1 1 356.408 -0.014 20 0 FBADMM Cc1onc(CC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826342865 661109838 /nfs/dbraw/zinc/10/98/38/661109838.db2.gz CPNPPSUYUIMVBC-CBAPKCEASA-N -1 1 356.408 -0.014 20 0 FBADMM Cc1onc(CC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826342866 661110547 /nfs/dbraw/zinc/11/05/47/661110547.db2.gz CPNPPSUYUIMVBC-IONNQARKSA-N -1 1 356.408 -0.014 20 0 FBADMM Cc1onc(CC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826342866 661110545 /nfs/dbraw/zinc/11/05/45/661110545.db2.gz CPNPPSUYUIMVBC-IONNQARKSA-N -1 1 356.408 -0.014 20 0 FBADMM Cc1onc(CC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826342867 661110296 /nfs/dbraw/zinc/11/02/96/661110296.db2.gz CPNPPSUYUIMVBC-VXNVDRBHSA-N -1 1 356.408 -0.014 20 0 FBADMM Cc1onc(CC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826342867 661110293 /nfs/dbraw/zinc/11/02/93/661110293.db2.gz CPNPPSUYUIMVBC-VXNVDRBHSA-N -1 1 356.408 -0.014 20 0 FBADMM Cc1onc(CC(=O)N(C)CCN2CCCS2(=O)=O)c1-c1nn[n-]n1 ZINC000826343318 661110590 /nfs/dbraw/zinc/11/05/90/661110590.db2.gz VUMATNAYOHWPCI-UHFFFAOYSA-N -1 1 369.407 -0.800 20 0 FBADMM Cc1onc(CC(=O)N(C)CCN2CCCS2(=O)=O)c1-c1nnn[n-]1 ZINC000826343318 661110586 /nfs/dbraw/zinc/11/05/86/661110586.db2.gz VUMATNAYOHWPCI-UHFFFAOYSA-N -1 1 369.407 -0.800 20 0 FBADMM Cc1onc(CC(=O)N(CCS(C)(=O)=O)C2CC2)c1-c1nn[n-]n1 ZINC000826343680 661110559 /nfs/dbraw/zinc/11/05/59/661110559.db2.gz JSLHADFYPMJDIZ-UHFFFAOYSA-N -1 1 354.392 -0.259 20 0 FBADMM Cc1onc(CC(=O)N(CCS(C)(=O)=O)C2CC2)c1-c1nnn[n-]1 ZINC000826343680 661110555 /nfs/dbraw/zinc/11/05/55/661110555.db2.gz JSLHADFYPMJDIZ-UHFFFAOYSA-N -1 1 354.392 -0.259 20 0 FBADMM Cc1onc(CC(=O)N(CCS(C)(=O)=O)C(C)C)c1-c1nn[n-]n1 ZINC000826344035 661110419 /nfs/dbraw/zinc/11/04/19/661110419.db2.gz VRDMTHUSDVPVAY-UHFFFAOYSA-N -1 1 356.408 -0.013 20 0 FBADMM Cc1onc(CC(=O)N(CCS(C)(=O)=O)C(C)C)c1-c1nnn[n-]1 ZINC000826344035 661110418 /nfs/dbraw/zinc/11/04/18/661110418.db2.gz VRDMTHUSDVPVAY-UHFFFAOYSA-N -1 1 356.408 -0.013 20 0 FBADMM Cc1onc(CC(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)c1-c1nn[n-]n1 ZINC000826344231 661110409 /nfs/dbraw/zinc/11/04/09/661110409.db2.gz AZSVLVBGVISMIR-SECBINFHSA-N -1 1 369.407 -0.767 20 0 FBADMM Cc1onc(CC(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)c1-c1nnn[n-]1 ZINC000826344231 661110408 /nfs/dbraw/zinc/11/04/08/661110408.db2.gz AZSVLVBGVISMIR-SECBINFHSA-N -1 1 369.407 -0.767 20 0 FBADMM Cc1onc(CC(=O)N2CCC[C@H](CS(N)(=O)=O)C2)c1-c1nn[n-]n1 ZINC000826344232 661110320 /nfs/dbraw/zinc/11/03/20/661110320.db2.gz AZSVLVBGVISMIR-VIFPVBQESA-N -1 1 369.407 -0.767 20 0 FBADMM Cc1onc(CC(=O)N2CCC[C@H](CS(N)(=O)=O)C2)c1-c1nnn[n-]1 ZINC000826344232 661110312 /nfs/dbraw/zinc/11/03/12/661110312.db2.gz AZSVLVBGVISMIR-VIFPVBQESA-N -1 1 369.407 -0.767 20 0 FBADMM Cc1onc(CC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c1-c1nn[n-]n1 ZINC000826344504 661110616 /nfs/dbraw/zinc/11/06/16/661110616.db2.gz JZKQARMVPRLVIV-SECBINFHSA-N -1 1 369.407 -0.754 20 0 FBADMM Cc1onc(CC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c1-c1nnn[n-]1 ZINC000826344504 661110613 /nfs/dbraw/zinc/11/06/13/661110613.db2.gz JZKQARMVPRLVIV-SECBINFHSA-N -1 1 369.407 -0.754 20 0 FBADMM Cc1onc(CC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c1-c1nn[n-]n1 ZINC000826344505 661110484 /nfs/dbraw/zinc/11/04/84/661110484.db2.gz JZKQARMVPRLVIV-VIFPVBQESA-N -1 1 369.407 -0.754 20 0 FBADMM Cc1onc(CC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c1-c1nnn[n-]1 ZINC000826344505 661110481 /nfs/dbraw/zinc/11/04/81/661110481.db2.gz JZKQARMVPRLVIV-VIFPVBQESA-N -1 1 369.407 -0.754 20 0 FBADMM Cc1onc(CC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826344633 609470921 /nfs/dbraw/zinc/47/09/21/609470921.db2.gz NDULEIPYTKXYCF-QMMMGPOBSA-N -1 1 369.407 -0.802 20 0 FBADMM Cc1onc(CC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826344633 609470920 /nfs/dbraw/zinc/47/09/20/609470920.db2.gz NDULEIPYTKXYCF-QMMMGPOBSA-N -1 1 369.407 -0.802 20 0 FBADMM Cc1onc(CC(=O)N2CCCN(S(C)(=O)=O)CC2)c1-c1nn[n-]n1 ZINC000826344848 661110376 /nfs/dbraw/zinc/11/03/76/661110376.db2.gz UIHZHXOQZPNVNI-UHFFFAOYSA-N -1 1 369.407 -0.800 20 0 FBADMM Cc1onc(CC(=O)N2CCCN(S(C)(=O)=O)CC2)c1-c1nnn[n-]1 ZINC000826344848 661110372 /nfs/dbraw/zinc/11/03/72/661110372.db2.gz UIHZHXOQZPNVNI-UHFFFAOYSA-N -1 1 369.407 -0.800 20 0 FBADMM Cc1onc(CC(=O)N2CCCC[C@@H]2CS(N)(=O)=O)c1-c1nn[n-]n1 ZINC000826344881 661110576 /nfs/dbraw/zinc/11/05/76/661110576.db2.gz VNKPWKVHAYELOR-SECBINFHSA-N -1 1 369.407 -0.625 20 0 FBADMM Cc1onc(CC(=O)N2CCCC[C@@H]2CS(N)(=O)=O)c1-c1nnn[n-]1 ZINC000826344881 661110574 /nfs/dbraw/zinc/11/05/74/661110574.db2.gz VNKPWKVHAYELOR-SECBINFHSA-N -1 1 369.407 -0.625 20 0 FBADMM Cc1onc(CC(=O)N2CCCC[C@H]2CS(N)(=O)=O)c1-c1nn[n-]n1 ZINC000826344882 661110721 /nfs/dbraw/zinc/11/07/21/661110721.db2.gz VNKPWKVHAYELOR-VIFPVBQESA-N -1 1 369.407 -0.625 20 0 FBADMM Cc1onc(CC(=O)N2CCCC[C@H]2CS(N)(=O)=O)c1-c1nnn[n-]1 ZINC000826344882 661110720 /nfs/dbraw/zinc/11/07/20/661110720.db2.gz VNKPWKVHAYELOR-VIFPVBQESA-N -1 1 369.407 -0.625 20 0 FBADMM Cc1onc(CC(=O)N2CCN(CC[S@@](C)=O)CC2)c1-c1nn[n-]n1 ZINC000826344907 661110332 /nfs/dbraw/zinc/11/03/32/661110332.db2.gz WJXFSWUDYKAXFM-RUZDIDTESA-N -1 1 367.435 -0.772 20 0 FBADMM Cc1onc(CC(=O)N2CCN(CC[S@@](C)=O)CC2)c1-c1nnn[n-]1 ZINC000826344907 661110326 /nfs/dbraw/zinc/11/03/26/661110326.db2.gz WJXFSWUDYKAXFM-RUZDIDTESA-N -1 1 367.435 -0.772 20 0 FBADMM Cc1onc(CC(=O)N2CCN(CC[S@](C)=O)CC2)c1-c1nn[n-]n1 ZINC000826344908 661110624 /nfs/dbraw/zinc/11/06/24/661110624.db2.gz WJXFSWUDYKAXFM-VWLOTQADSA-N -1 1 367.435 -0.772 20 0 FBADMM Cc1onc(CC(=O)N2CCN(CC[S@](C)=O)CC2)c1-c1nnn[n-]1 ZINC000826344908 661110622 /nfs/dbraw/zinc/11/06/22/661110622.db2.gz WJXFSWUDYKAXFM-VWLOTQADSA-N -1 1 367.435 -0.772 20 0 FBADMM Cc1onc(CC(=O)N2CCSC[C@@H]2S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826345135 661110452 /nfs/dbraw/zinc/11/04/52/661110452.db2.gz CYFWJPOMGHADPB-JTQLQIEISA-N -1 1 372.432 -0.348 20 0 FBADMM Cc1onc(CC(=O)N2CCSC[C@@H]2S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826345135 661110450 /nfs/dbraw/zinc/11/04/50/661110450.db2.gz CYFWJPOMGHADPB-JTQLQIEISA-N -1 1 372.432 -0.348 20 0 FBADMM Cc1onc(CC(=O)N2CCSC[C@H]2S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826345136 661110340 /nfs/dbraw/zinc/11/03/40/661110340.db2.gz CYFWJPOMGHADPB-SNVBAGLBSA-N -1 1 372.432 -0.348 20 0 FBADMM Cc1onc(CC(=O)N2CCSC[C@H]2S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826345136 661110339 /nfs/dbraw/zinc/11/03/39/661110339.db2.gz CYFWJPOMGHADPB-SNVBAGLBSA-N -1 1 372.432 -0.348 20 0 FBADMM Cc1onc(CC(=O)N2CCS(=O)(=O)C(C)(C)C2)c1-c1nn[n-]n1 ZINC000826345177 661110446 /nfs/dbraw/zinc/11/04/46/661110446.db2.gz FHVORLSUGGLXJY-UHFFFAOYSA-N -1 1 354.392 -0.259 20 0 FBADMM Cc1onc(CC(=O)N2CCS(=O)(=O)C(C)(C)C2)c1-c1nnn[n-]1 ZINC000826345177 661110444 /nfs/dbraw/zinc/11/04/44/661110444.db2.gz FHVORLSUGGLXJY-UHFFFAOYSA-N -1 1 354.392 -0.259 20 0 FBADMM Cc1onc(CC(=O)N2CSC[C@@H]2C(=O)N(C)C)c1-c1nn[n-]n1 ZINC000826345355 661110459 /nfs/dbraw/zinc/11/04/59/661110459.db2.gz JVBWEHPPZYFHHD-SECBINFHSA-N -1 1 351.392 -0.305 20 0 FBADMM Cc1onc(CC(=O)N2CSC[C@@H]2C(=O)N(C)C)c1-c1nnn[n-]1 ZINC000826345355 661110457 /nfs/dbraw/zinc/11/04/57/661110457.db2.gz JVBWEHPPZYFHHD-SECBINFHSA-N -1 1 351.392 -0.305 20 0 FBADMM Cc1onc(CC(=O)N2CSC[C@H]2C(=O)N(C)C)c1-c1nn[n-]n1 ZINC000826345356 661110404 /nfs/dbraw/zinc/11/04/04/661110404.db2.gz JVBWEHPPZYFHHD-VIFPVBQESA-N -1 1 351.392 -0.305 20 0 FBADMM Cc1onc(CC(=O)N2CSC[C@H]2C(=O)N(C)C)c1-c1nnn[n-]1 ZINC000826345356 661110403 /nfs/dbraw/zinc/11/04/03/661110403.db2.gz JVBWEHPPZYFHHD-VIFPVBQESA-N -1 1 351.392 -0.305 20 0 FBADMM Cc1onc(CC(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)c1-c1nn[n-]n1 ZINC000826345545 661110526 /nfs/dbraw/zinc/11/05/26/661110526.db2.gz NLGMVDFYYVICHU-APPZFPTMSA-N -1 1 354.392 -0.260 20 0 FBADMM Cc1onc(CC(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)c1-c1nnn[n-]1 ZINC000826345545 661110522 /nfs/dbraw/zinc/11/05/22/661110522.db2.gz NLGMVDFYYVICHU-APPZFPTMSA-N -1 1 354.392 -0.260 20 0 FBADMM Cc1onc(CC(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c1-c1nn[n-]n1 ZINC000826345546 661110634 /nfs/dbraw/zinc/11/06/34/661110634.db2.gz NLGMVDFYYVICHU-CBAPKCEASA-N -1 1 354.392 -0.260 20 0 FBADMM Cc1onc(CC(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c1-c1nnn[n-]1 ZINC000826345546 661110631 /nfs/dbraw/zinc/11/06/31/661110631.db2.gz NLGMVDFYYVICHU-CBAPKCEASA-N -1 1 354.392 -0.260 20 0 FBADMM Cc1onc(CC(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)c1-c1nn[n-]n1 ZINC000826345547 661110437 /nfs/dbraw/zinc/11/04/37/661110437.db2.gz NLGMVDFYYVICHU-IONNQARKSA-N -1 1 354.392 -0.260 20 0 FBADMM Cc1onc(CC(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)c1-c1nnn[n-]1 ZINC000826345547 661110435 /nfs/dbraw/zinc/11/04/35/661110435.db2.gz NLGMVDFYYVICHU-IONNQARKSA-N -1 1 354.392 -0.260 20 0 FBADMM Cc1onc(CC(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)c1-c1nn[n-]n1 ZINC000826345548 661110514 /nfs/dbraw/zinc/11/05/14/661110514.db2.gz NLGMVDFYYVICHU-VXNVDRBHSA-N -1 1 354.392 -0.260 20 0 FBADMM Cc1onc(CC(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)c1-c1nnn[n-]1 ZINC000826345548 661110510 /nfs/dbraw/zinc/11/05/10/661110510.db2.gz NLGMVDFYYVICHU-VXNVDRBHSA-N -1 1 354.392 -0.260 20 0 FBADMM Cc1onc(CC(=O)NCC(C)(C)NS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826346336 661110474 /nfs/dbraw/zinc/11/04/74/661110474.db2.gz JXHZRYUMVLCHFE-UHFFFAOYSA-N -1 1 357.396 -0.850 20 0 FBADMM Cc1onc(CC(=O)NCC(C)(C)NS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826346336 661110471 /nfs/dbraw/zinc/11/04/71/661110471.db2.gz JXHZRYUMVLCHFE-UHFFFAOYSA-N -1 1 357.396 -0.850 20 0 FBADMM Cc1onc(CC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1-c1nn[n-]n1 ZINC000826346630 661110397 /nfs/dbraw/zinc/11/03/97/661110397.db2.gz RDFGEZYOSHCBQA-SECBINFHSA-N -1 1 369.407 -0.754 20 0 FBADMM Cc1onc(CC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1-c1nnn[n-]1 ZINC000826346630 661110395 /nfs/dbraw/zinc/11/03/95/661110395.db2.gz RDFGEZYOSHCBQA-SECBINFHSA-N -1 1 369.407 -0.754 20 0 FBADMM Cc1onc(CC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c1-c1nn[n-]n1 ZINC000826346631 661110504 /nfs/dbraw/zinc/11/05/04/661110504.db2.gz RDFGEZYOSHCBQA-VIFPVBQESA-N -1 1 369.407 -0.754 20 0 FBADMM Cc1onc(CC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c1-c1nnn[n-]1 ZINC000826346631 661110503 /nfs/dbraw/zinc/11/05/03/661110503.db2.gz RDFGEZYOSHCBQA-VIFPVBQESA-N -1 1 369.407 -0.754 20 0 FBADMM Cc1onc(CC(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)c1-c1nn[n-]n1 ZINC000826347175 609471299 /nfs/dbraw/zinc/47/12/99/609471299.db2.gz HLHULFJKBLALSO-GXSJLCMTSA-N -1 1 363.378 -0.542 20 0 FBADMM Cc1onc(CC(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)c1-c1nnn[n-]1 ZINC000826347175 609471296 /nfs/dbraw/zinc/47/12/96/609471296.db2.gz HLHULFJKBLALSO-GXSJLCMTSA-N -1 1 363.378 -0.542 20 0 FBADMM Cc1onc(CC(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)c1-c1nn[n-]n1 ZINC000826347176 609471008 /nfs/dbraw/zinc/47/10/08/609471008.db2.gz HLHULFJKBLALSO-KOLCDFICSA-N -1 1 363.378 -0.542 20 0 FBADMM Cc1onc(CC(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)c1-c1nnn[n-]1 ZINC000826347176 609471007 /nfs/dbraw/zinc/47/10/07/609471007.db2.gz HLHULFJKBLALSO-KOLCDFICSA-N -1 1 363.378 -0.542 20 0 FBADMM Cc1onc(CC(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)c1-c1nn[n-]n1 ZINC000826347177 609471064 /nfs/dbraw/zinc/47/10/64/609471064.db2.gz HLHULFJKBLALSO-MWLCHTKSSA-N -1 1 363.378 -0.542 20 0 FBADMM Cc1onc(CC(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)c1-c1nnn[n-]1 ZINC000826347177 609471062 /nfs/dbraw/zinc/47/10/62/609471062.db2.gz HLHULFJKBLALSO-MWLCHTKSSA-N -1 1 363.378 -0.542 20 0 FBADMM Cc1onc(CC(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c1-c1nn[n-]n1 ZINC000826347178 609471024 /nfs/dbraw/zinc/47/10/24/609471024.db2.gz HLHULFJKBLALSO-ONGXEEELSA-N -1 1 363.378 -0.542 20 0 FBADMM Cc1onc(CC(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c1-c1nnn[n-]1 ZINC000826347178 609471021 /nfs/dbraw/zinc/47/10/21/609471021.db2.gz HLHULFJKBLALSO-ONGXEEELSA-N -1 1 363.378 -0.542 20 0 FBADMM Cc1onc(CC(=O)NCCCN2CCCS2(=O)=O)c1-c1nn[n-]n1 ZINC000826347283 661110497 /nfs/dbraw/zinc/11/04/97/661110497.db2.gz LTGOIBDBOFULRY-UHFFFAOYSA-N -1 1 369.407 -0.753 20 0 FBADMM Cc1onc(CC(=O)NCCCN2CCCS2(=O)=O)c1-c1nnn[n-]1 ZINC000826347283 661110494 /nfs/dbraw/zinc/11/04/94/661110494.db2.gz LTGOIBDBOFULRY-UHFFFAOYSA-N -1 1 369.407 -0.753 20 0 FBADMM Cc1onc(CC(=O)NCCCN(C)S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826347536 661110658 /nfs/dbraw/zinc/11/06/58/661110658.db2.gz URRGPZJTCLWBFD-UHFFFAOYSA-N -1 1 357.396 -0.897 20 0 FBADMM Cc1onc(CC(=O)NCCCN(C)S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826347536 661110656 /nfs/dbraw/zinc/11/06/56/661110656.db2.gz URRGPZJTCLWBFD-UHFFFAOYSA-N -1 1 357.396 -0.897 20 0 FBADMM Cc1onc(CC(=O)NCCS(=O)(=O)CC2CC2)c1-c1nn[n-]n1 ZINC000826347781 661110429 /nfs/dbraw/zinc/11/04/29/661110429.db2.gz FSSCINTZQLREOS-UHFFFAOYSA-N -1 1 354.392 -0.353 20 0 FBADMM Cc1onc(CC(=O)NCCS(=O)(=O)CC2CC2)c1-c1nnn[n-]1 ZINC000826347781 661110424 /nfs/dbraw/zinc/11/04/24/661110424.db2.gz FSSCINTZQLREOS-UHFFFAOYSA-N -1 1 354.392 -0.353 20 0 FBADMM Cc1onc(CC(=O)NC[C@H]2CCCN2S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826347799 661110670 /nfs/dbraw/zinc/11/06/70/661110670.db2.gz GODGBDORAZHMGD-SECBINFHSA-N -1 1 369.407 -0.754 20 0 FBADMM Cc1onc(CC(=O)NC[C@H]2CCCN2S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826347799 661110667 /nfs/dbraw/zinc/11/06/67/661110667.db2.gz GODGBDORAZHMGD-SECBINFHSA-N -1 1 369.407 -0.754 20 0 FBADMM Cc1onc(CC(=O)NCCS(=O)(=O)NC(C)C)c1-c1nn[n-]n1 ZINC000826347920 661110540 /nfs/dbraw/zinc/11/05/40/661110540.db2.gz LVYOAXJSOIYRLB-UHFFFAOYSA-N -1 1 357.396 -0.850 20 0 FBADMM Cc1onc(CC(=O)NCCS(=O)(=O)NC(C)C)c1-c1nnn[n-]1 ZINC000826347920 661110538 /nfs/dbraw/zinc/11/05/38/661110538.db2.gz LVYOAXJSOIYRLB-UHFFFAOYSA-N -1 1 357.396 -0.850 20 0 FBADMM Cc1onc(CC(=O)NCCS(=O)(=O)NC(C)(C)C)c1-c1nn[n-]n1 ZINC000826348021 661110687 /nfs/dbraw/zinc/11/06/87/661110687.db2.gz QGUVQOMWFWKSAG-UHFFFAOYSA-N -1 1 371.423 -0.460 20 0 FBADMM Cc1onc(CC(=O)NCCS(=O)(=O)NC(C)(C)C)c1-c1nnn[n-]1 ZINC000826348021 661110683 /nfs/dbraw/zinc/11/06/83/661110683.db2.gz QGUVQOMWFWKSAG-UHFFFAOYSA-N -1 1 371.423 -0.460 20 0 FBADMM Cc1onc(CC(=O)Nc2cccc(S(N)(=O)=O)c2)c1-c1nn[n-]n1 ZINC000826348792 661110645 /nfs/dbraw/zinc/11/06/45/661110645.db2.gz FDPMQXYAUJTHET-UHFFFAOYSA-N -1 1 363.359 -0.008 20 0 FBADMM Cc1onc(CC(=O)Nc2cccc(S(N)(=O)=O)c2)c1-c1nnn[n-]1 ZINC000826348792 661110642 /nfs/dbraw/zinc/11/06/42/661110642.db2.gz FDPMQXYAUJTHET-UHFFFAOYSA-N -1 1 363.359 -0.008 20 0 FBADMM Cc1onc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1-c1nn[n-]n1 ZINC000826348812 661110367 /nfs/dbraw/zinc/11/03/67/661110367.db2.gz GCNDSSFHLLPECI-UHFFFAOYSA-N -1 1 363.359 -0.008 20 0 FBADMM Cc1onc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1-c1nnn[n-]1 ZINC000826348812 661110365 /nfs/dbraw/zinc/11/03/65/661110365.db2.gz GCNDSSFHLLPECI-UHFFFAOYSA-N -1 1 363.359 -0.008 20 0 FBADMM Cn1c2nc(Cl)n(Cc3ccnc(-c4nn[n-]n4)c3)c2c(=O)n(C)c1=O ZINC000826354532 607540975 /nfs/dbraw/zinc/54/09/75/607540975.db2.gz JAORTMXHUCXFBJ-UHFFFAOYSA-N -1 1 373.764 -0.290 20 0 FBADMM Cn1c2nc(Cl)n(Cc3ccnc(-c4nnn[n-]4)c3)c2c(=O)n(C)c1=O ZINC000826354532 607540973 /nfs/dbraw/zinc/54/09/73/607540973.db2.gz JAORTMXHUCXFBJ-UHFFFAOYSA-N -1 1 373.764 -0.290 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCc3cc(F)ccc3C2)n(C)c1=O ZINC000826355451 608560668 /nfs/dbraw/zinc/56/06/68/608560668.db2.gz AELXMRBMEMRJGB-UHFFFAOYSA-N -1 1 357.349 -0.034 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2cccc(CCCO)c2)n(C)c1=O ZINC000826355496 609387186 /nfs/dbraw/zinc/38/71/86/609387186.db2.gz CBPCCLPBNDFFCW-UHFFFAOYSA-N -1 1 357.374 -0.067 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCSCC(F)(F)F)n(C)c1=O ZINC000826355560 608799060 /nfs/dbraw/zinc/79/90/60/608799060.db2.gz FOYVTSSIMJNFFS-UHFFFAOYSA-N -1 1 365.341 -0.029 20 0 FBADMM Cn1c(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)nnc1-c1ccccc1 ZINC000826355582 608095874 /nfs/dbraw/zinc/09/58/74/608095874.db2.gz GIZFSOXTZNVHBB-UHFFFAOYSA-N -1 1 365.357 -0.429 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCCN(CC(F)F)CC2)n(C)c1=O ZINC000826355654 608301882 /nfs/dbraw/zinc/30/18/82/608301882.db2.gz INLOYAILZWQXKU-UHFFFAOYSA-N -1 1 370.364 -0.959 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@H](C3CCOCC3)C2)n(C)c1=O ZINC000826355675 607851352 /nfs/dbraw/zinc/85/13/52/607851352.db2.gz JASQQDNQMQISOD-LLVKDONJSA-N -1 1 361.406 -0.483 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@H](C3CCOCC3)C2)n(C)c1=O ZINC000826355676 607851455 /nfs/dbraw/zinc/85/14/55/607851455.db2.gz JASQQDNQMQISOD-NSHDSACASA-N -1 1 361.406 -0.483 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@]2(O)CCc3ccccc32)n(C)c1=O ZINC000826355678 607739066 /nfs/dbraw/zinc/73/90/66/607739066.db2.gz JBRBJUDTXYPGQI-KRWDZBQOSA-N -1 1 369.385 -0.490 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@]2(O)CCc3ccccc32)n(C)c1=O ZINC000826355679 607739134 /nfs/dbraw/zinc/73/91/34/607739134.db2.gz JBRBJUDTXYPGQI-QGZVFWFLSA-N -1 1 369.385 -0.490 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)n(C)c1=O ZINC000826355681 607822086 /nfs/dbraw/zinc/82/20/86/607822086.db2.gz JEAQNHATJCZVJF-FBIMIBRVSA-N -1 1 359.390 -0.366 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n(C)c1=O ZINC000826355682 607821893 /nfs/dbraw/zinc/82/18/93/607821893.db2.gz JEAQNHATJCZVJF-GDPRMGEGSA-N -1 1 359.390 -0.366 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n(C)c1=O ZINC000826355683 607822056 /nfs/dbraw/zinc/82/20/56/607822056.db2.gz JEAQNHATJCZVJF-IEBDPFPHSA-N -1 1 359.390 -0.366 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)n(C)c1=O ZINC000826355684 607821878 /nfs/dbraw/zinc/82/18/78/607821878.db2.gz JEAQNHATJCZVJF-JMJZKYOTSA-N -1 1 359.390 -0.366 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N(CCCO)CC(C)(C)C)n(C)c1=O ZINC000826355692 607448894 /nfs/dbraw/zinc/44/88/94/607448894.db2.gz JKILWAYTFXREJN-UHFFFAOYSA-N -1 1 351.411 -0.501 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H]([C@@H]3CCOC3)C2)n(C)c1=O ZINC000826355744 607681342 /nfs/dbraw/zinc/68/13/42/607681342.db2.gz LVAIYQAMFPLMHG-GHMZBOCLSA-N -1 1 361.406 -0.483 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H]([C@H]3CCOC3)C2)n(C)c1=O ZINC000826355745 607682184 /nfs/dbraw/zinc/68/21/84/607682184.db2.gz LVAIYQAMFPLMHG-MNOVXSKESA-N -1 1 361.406 -0.483 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H]([C@H]3CCOC3)C2)n(C)c1=O ZINC000826355746 607682208 /nfs/dbraw/zinc/68/22/08/607682208.db2.gz LVAIYQAMFPLMHG-QWRGUYRKSA-N -1 1 361.406 -0.483 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H]([C@@H]3CCOC3)C2)n(C)c1=O ZINC000826355747 607681809 /nfs/dbraw/zinc/68/18/09/607681809.db2.gz LVAIYQAMFPLMHG-WDEREUQCSA-N -1 1 361.406 -0.483 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCc2cnc(C3CC3)nc2)n(C)c1=O ZINC000826355768 607904065 /nfs/dbraw/zinc/90/40/65/607904065.db2.gz MPVIQALKCPXECJ-UHFFFAOYSA-N -1 1 369.389 -0.414 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H]2C2CCOCC2)n(C)c1=O ZINC000826355801 609169899 /nfs/dbraw/zinc/16/98/99/609169899.db2.gz NPAHYANOYYOSEJ-LLVKDONJSA-N -1 1 361.406 -0.341 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H]2C2CCOCC2)n(C)c1=O ZINC000826355802 609170001 /nfs/dbraw/zinc/17/00/01/609170001.db2.gz NPAHYANOYYOSEJ-NSHDSACASA-N -1 1 361.406 -0.341 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCc3cccc(F)c3C2)n(C)c1=O ZINC000826355827 608446216 /nfs/dbraw/zinc/44/62/16/608446216.db2.gz ONOAKGIEFZWZFU-UHFFFAOYSA-N -1 1 357.349 -0.034 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCN(c3ccccn3)C2)n(C)c1=O ZINC000826355891 607810536 /nfs/dbraw/zinc/81/05/36/607810536.db2.gz RHXAERHYDVVEQO-JTQLQIEISA-N -1 1 369.389 -0.650 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCN(c3ccccn3)C2)n(C)c1=O ZINC000826355892 607810722 /nfs/dbraw/zinc/81/07/22/607810722.db2.gz RHXAERHYDVVEQO-SNVBAGLBSA-N -1 1 369.389 -0.650 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCOc2ncccc2F)n(C)c1=O ZINC000826355939 607563603 /nfs/dbraw/zinc/56/36/03/607563603.db2.gz UJVOIZXQJOCRNT-UHFFFAOYSA-N -1 1 362.325 -0.711 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H]2COC3(CCCC3)O2)n(C)c1=O ZINC000826355957 608294306 /nfs/dbraw/zinc/29/43/06/608294306.db2.gz UWVSPJCGJHRBOR-SECBINFHSA-N -1 1 363.378 -0.638 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H]2COC3(CCCC3)O2)n(C)c1=O ZINC000826355958 608294327 /nfs/dbraw/zinc/29/43/27/608294327.db2.gz UWVSPJCGJHRBOR-VIFPVBQESA-N -1 1 363.378 -0.638 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H](OC(F)F)C2)n(C)c1=O ZINC000826355974 609317276 /nfs/dbraw/zinc/31/72/76/609317276.db2.gz VNAZRBTXNAILKK-SSDOTTSWSA-N -1 1 357.321 -0.528 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H](OC(F)F)C2)n(C)c1=O ZINC000826355975 609317198 /nfs/dbraw/zinc/31/71/98/609317198.db2.gz VNAZRBTXNAILKK-ZETCQYMHSA-N -1 1 357.321 -0.528 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(Oc2ccc3nccnc3c2)n(C)c1=O ZINC000826355998 608017504 /nfs/dbraw/zinc/01/75/04/608017504.db2.gz WLBKVVAQUPKYBQ-UHFFFAOYSA-N -1 1 352.314 0.000 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H]2CCCn3ccnc32)n(C)c1=O ZINC000826356027 607558672 /nfs/dbraw/zinc/55/86/72/607558672.db2.gz XPHSPYFSJVGCMA-SECBINFHSA-N -1 1 357.378 -0.550 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H]2CCCn3ccnc32)n(C)c1=O ZINC000826356028 607558512 /nfs/dbraw/zinc/55/85/12/607558512.db2.gz XPHSPYFSJVGCMA-VIFPVBQESA-N -1 1 357.378 -0.550 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC(Cc3ccccc3)C2)n(C)c1=O ZINC000826356037 609435756 /nfs/dbraw/zinc/43/57/56/609435756.db2.gz XXUPLGOZIWHDCG-UHFFFAOYSA-N -1 1 353.386 -0.057 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCc3c(F)cccc3C2)n(C)c1=O ZINC000826356075 607936972 /nfs/dbraw/zinc/93/69/72/607936972.db2.gz ZFGOHNYNNAKWJZ-UHFFFAOYSA-N -1 1 357.349 -0.034 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCO[C@]3(CCOC3)C2)n(C)c1=O ZINC000826356077 608198652 /nfs/dbraw/zinc/19/86/52/608198652.db2.gz ZFXQHHHLRNUTFT-BJOHPYRUSA-N -1 1 363.378 -0.986 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCO[C@@]3(CCOC3)C2)n(C)c1=O ZINC000826356078 608198468 /nfs/dbraw/zinc/19/84/68/608198468.db2.gz ZFXQHHHLRNUTFT-PSLIRLAXSA-N -1 1 363.378 -0.986 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCO[C@]3(CCOC3)C2)n(C)c1=O ZINC000826356079 608198186 /nfs/dbraw/zinc/19/81/86/608198186.db2.gz ZFXQHHHLRNUTFT-RFAUZJTJSA-N -1 1 363.378 -0.986 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCO[C@@]3(CCOC3)C2)n(C)c1=O ZINC000826356080 608198664 /nfs/dbraw/zinc/19/86/64/608198664.db2.gz ZFXQHHHLRNUTFT-VFZGTOFNSA-N -1 1 363.378 -0.986 20 0 FBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC=C(C(F)(F)F)CC2)n(C)c1=O ZINC000826356092 607935633 /nfs/dbraw/zinc/93/56/33/607935633.db2.gz ZQPYZULPZVBUPP-UHFFFAOYSA-N -1 1 357.296 -0.037 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)NCCC2CCCCC2)c1=O ZINC000826356157 608096558 /nfs/dbraw/zinc/09/65/58/608096558.db2.gz DBPQKYJJWUAMMR-UHFFFAOYSA-N -1 1 361.406 -0.186 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)N(C2CC2)C2CCCC2)c1=O ZINC000826356175 608095841 /nfs/dbraw/zinc/09/58/41/608095841.db2.gz FECXUGPJYJZXSX-UHFFFAOYSA-N -1 1 359.390 -0.339 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCCn2c3ccccc3[nH]c2=O)c1=O ZINC000826356341 608096612 /nfs/dbraw/zinc/09/66/12/608096612.db2.gz MBVMGDOSCOCBAA-UHFFFAOYSA-N -1 1 368.357 -0.127 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(=O)n([C@@H]2CCN(CC(F)(F)F)C2=O)c1=O ZINC000826356417 608095990 /nfs/dbraw/zinc/09/59/90/608095990.db2.gz PQOXPWGIOYXQDS-SSDOTTSWSA-N -1 1 359.268 -0.937 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(=O)n([C@H]2CCN(CC(F)(F)F)C2=O)c1=O ZINC000826356418 608095778 /nfs/dbraw/zinc/09/57/78/608095778.db2.gz PQOXPWGIOYXQDS-ZETCQYMHSA-N -1 1 359.268 -0.937 20 0 FBADMM Cn1c(SCc2cccc(C(N)=O)n2)c(-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000826356441 609580367 /nfs/dbraw/zinc/58/03/67/609580367.db2.gz QPKYZVWJZPDDNY-UHFFFAOYSA-N -1 1 374.386 -0.950 20 0 FBADMM Cn1c(Sc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)nnc1C(F)F ZINC000826356461 661110389 /nfs/dbraw/zinc/11/03/89/661110389.db2.gz RXJHHBGLAODONA-UHFFFAOYSA-N -1 1 371.333 -0.519 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)c2ccc3c(c2)COC3)c1=O ZINC000826356492 608096429 /nfs/dbraw/zinc/09/64/29/608096429.db2.gz SRLIMPDRWCZHIF-UHFFFAOYSA-N -1 1 354.326 -0.360 20 0 FBADMM Cn1cc(-c2nc(Cn3c(=O)c(-c4nn[n-]n4)cn(C)c3=O)cs2)cn1 ZINC000826356506 608095942 /nfs/dbraw/zinc/09/59/42/608095942.db2.gz UDIQMROVMDXWFS-UHFFFAOYSA-N -1 1 371.386 -0.368 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2nc(CC(F)(F)F)no2)c1=O ZINC000826356719 608095862 /nfs/dbraw/zinc/09/58/62/608095862.db2.gz CNMMJBGAZIIYMK-UHFFFAOYSA-N -1 1 358.240 -0.737 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(CCS(C)(=O)=O)C2CC2)n1 ZINC000826356730 607804003 /nfs/dbraw/zinc/80/40/03/607804003.db2.gz CUZCQAVGVOUIPM-UHFFFAOYSA-N -1 1 354.396 -0.359 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(CCS(C)(=O)=O)C2CC2)n1 ZINC000826356730 607804002 /nfs/dbraw/zinc/80/40/02/607804002.db2.gz CUZCQAVGVOUIPM-UHFFFAOYSA-N -1 1 354.396 -0.359 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H]2COC3(CCOCC3)O2)n1 ZINC000826356746 609271512 /nfs/dbraw/zinc/27/15/12/609271512.db2.gz DIGPYADJCQXGHY-SECBINFHSA-N -1 1 364.366 -0.356 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H]2COC3(CCOCC3)O2)n1 ZINC000826356746 609271511 /nfs/dbraw/zinc/27/15/11/609271511.db2.gz DIGPYADJCQXGHY-SECBINFHSA-N -1 1 364.366 -0.356 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H]2COC3(CCOCC3)O2)n1 ZINC000826356747 609271488 /nfs/dbraw/zinc/27/14/88/609271488.db2.gz DIGPYADJCQXGHY-VIFPVBQESA-N -1 1 364.366 -0.356 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H]2COC3(CCOCC3)O2)n1 ZINC000826356747 609271487 /nfs/dbraw/zinc/27/14/87/609271487.db2.gz DIGPYADJCQXGHY-VIFPVBQESA-N -1 1 364.366 -0.356 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2ncn(-c3ccccc3)n2)c1=O ZINC000826356776 608886624 /nfs/dbraw/zinc/88/66/24/608886624.db2.gz FKQPRDQLILBZQA-UHFFFAOYSA-N -1 1 351.330 -0.644 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2cnn(-c3ccccc3)n2)c1=O ZINC000826356817 608095835 /nfs/dbraw/zinc/09/58/35/608095835.db2.gz HDGRZGXDHHBNOO-UHFFFAOYSA-N -1 1 351.330 -0.644 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2nccn2CC(F)(F)F)c1=O ZINC000826356818 608096411 /nfs/dbraw/zinc/09/64/11/608096411.db2.gz HHMXDYHZPRLEJU-UHFFFAOYSA-N -1 1 356.268 -0.466 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2cn(-c3ccccc3)nn2)c1=O ZINC000826356868 608095987 /nfs/dbraw/zinc/09/59/87/608095987.db2.gz IWOSSUYMOQVNOQ-UHFFFAOYSA-N -1 1 351.330 -0.644 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]2CN2CCOCC2)n1 ZINC000826356901 608007920 /nfs/dbraw/zinc/00/79/20/608007920.db2.gz KGACDFVLWXNBEQ-LLVKDONJSA-N -1 1 361.410 -0.071 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H]2CN2CCOCC2)n1 ZINC000826356902 608008310 /nfs/dbraw/zinc/00/83/10/608008310.db2.gz KGACDFVLWXNBEQ-NSHDSACASA-N -1 1 361.410 -0.071 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2nc3ccccc3n(C)c2=O)c1=O ZINC000826356915 608095910 /nfs/dbraw/zinc/09/59/10/608095910.db2.gz KQSPBOMFJDPLIK-UHFFFAOYSA-N -1 1 366.341 -0.978 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCC2CCS(=O)(=O)CC2)n1 ZINC000826356981 608609783 /nfs/dbraw/zinc/60/97/83/608609783.db2.gz MTOVYMSVZVQYCB-UHFFFAOYSA-N -1 1 368.423 -0.063 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCC2CCS(=O)(=O)CC2)n1 ZINC000826356981 608609778 /nfs/dbraw/zinc/60/97/78/608609778.db2.gz MTOVYMSVZVQYCB-UHFFFAOYSA-N -1 1 368.423 -0.063 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccn(-c3ccccc3)n2)c1=O ZINC000826356987 608095877 /nfs/dbraw/zinc/09/58/77/608095877.db2.gz MXJWDPJBPBOQLF-UHFFFAOYSA-N -1 1 350.342 -0.039 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2nc(Cc3ccccc3)no2)c1=O ZINC000826357020 608096498 /nfs/dbraw/zinc/09/64/98/608096498.db2.gz OCJYJOQEUZUVQP-UHFFFAOYSA-N -1 1 366.341 -0.251 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)COCCNC(=O)c2ccccc2)n1 ZINC000826357056 609504436 /nfs/dbraw/zinc/50/44/36/609504436.db2.gz PMPQHANOXOZIPP-UHFFFAOYSA-N -1 1 370.373 -0.015 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)COCCNC(=O)c2ccccc2)n1 ZINC000826357056 609504434 /nfs/dbraw/zinc/50/44/34/609504434.db2.gz PMPQHANOXOZIPP-UHFFFAOYSA-N -1 1 370.373 -0.015 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2cnn(-c3ccccc3)c2)c1=O ZINC000826357091 608096555 /nfs/dbraw/zinc/09/65/55/608096555.db2.gz QOQNPEJMEGIHBX-UHFFFAOYSA-N -1 1 350.342 -0.039 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCn2cnc3ccccc3c2=O)c1=O ZINC000826357124 608096333 /nfs/dbraw/zinc/09/63/33/608096333.db2.gz SFCCBXDYNAGTGH-UHFFFAOYSA-N -1 1 366.341 -0.863 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2noc(-c3ccsc3)n2)c1=O ZINC000826357125 608096636 /nfs/dbraw/zinc/09/66/36/608096636.db2.gz SGCAZXGJIRJFHX-UHFFFAOYSA-N -1 1 358.343 -0.113 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2noc(-c3cccs3)n2)c1=O ZINC000826357132 608096661 /nfs/dbraw/zinc/09/66/61/608096661.db2.gz SJAIZAKXUOCVDM-UHFFFAOYSA-N -1 1 358.343 -0.113 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2noc(Cc3ccccc3)n2)c1=O ZINC000826357147 608096108 /nfs/dbraw/zinc/09/61/08/608096108.db2.gz SYEGDTHOZCQRMN-UHFFFAOYSA-N -1 1 366.341 -0.251 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2cc(F)cc3c2OCOC3)c1=O ZINC000826357172 608096111 /nfs/dbraw/zinc/09/61/11/608096111.db2.gz UIGKCMBLVAXWOV-UHFFFAOYSA-N -1 1 360.305 -0.219 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)n1 ZINC000826357193 607804119 /nfs/dbraw/zinc/80/41/19/607804119.db2.gz VNLAYOWXCILGLN-MRVPVSSYSA-N -1 1 369.411 -0.997 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)n1 ZINC000826357193 607804118 /nfs/dbraw/zinc/80/41/18/607804118.db2.gz VNLAYOWXCILGLN-MRVPVSSYSA-N -1 1 369.411 -0.997 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)n1 ZINC000826357194 607804107 /nfs/dbraw/zinc/80/41/07/607804107.db2.gz VNLAYOWXCILGLN-QMMMGPOBSA-N -1 1 369.411 -0.997 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)n1 ZINC000826357194 607804106 /nfs/dbraw/zinc/80/41/06/607804106.db2.gz VNLAYOWXCILGLN-QMMMGPOBSA-N -1 1 369.411 -0.997 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCOCCOc2ccccc2)c1=O ZINC000826357245 608096131 /nfs/dbraw/zinc/09/61/31/608096131.db2.gz XLOMXSPBFMMOLD-UHFFFAOYSA-N -1 1 358.358 -0.177 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H]2CCCN2S(C)(=O)=O)n1 ZINC000826357270 607803973 /nfs/dbraw/zinc/80/39/73/607803973.db2.gz YCRKJRQTQNJSOR-MRVPVSSYSA-N -1 1 369.411 -0.854 20 0 FBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H]2CCCN2S(C)(=O)=O)n1 ZINC000826357270 607803972 /nfs/dbraw/zinc/80/39/72/607803972.db2.gz YCRKJRQTQNJSOR-MRVPVSSYSA-N -1 1 369.411 -0.854 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2nnc(-c3cccc(F)c3)o2)c1=O ZINC000826357281 608096105 /nfs/dbraw/zinc/09/61/05/608096105.db2.gz YPAIKXADKXOGEY-UHFFFAOYSA-N -1 1 370.304 -0.036 20 0 FBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2noc(-c3ccccc3)n2)c1=O ZINC000826357303 608096176 /nfs/dbraw/zinc/09/61/76/608096176.db2.gz ZUORFRVTPQEABK-UHFFFAOYSA-N -1 1 352.314 -0.175 20 0 FBADMM Cn1cc(C(=O)C[C@H]2CCCN2C(=O)Cn2cnc(-c3nn[n-]n3)n2)cn1 ZINC000826358033 608074731 /nfs/dbraw/zinc/07/47/31/608074731.db2.gz AZLNDBPEXHRMBU-LLVKDONJSA-N -1 1 370.377 -0.544 20 0 FBADMM Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)Cn2cnc(-c3nn[n-]n3)n2)cn1 ZINC000826358034 608074804 /nfs/dbraw/zinc/07/48/04/608074804.db2.gz AZLNDBPEXHRMBU-NSHDSACASA-N -1 1 370.377 -0.544 20 0 FBADMM Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000826358071 609262770 /nfs/dbraw/zinc/26/27/70/609262770.db2.gz CNOYGACIVVQBFY-UHFFFAOYSA-N -1 1 363.359 -0.190 20 0 FBADMM Cn1cc([C@@H](CO)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000826358914 607938263 /nfs/dbraw/zinc/93/82/63/607938263.db2.gz NQWDVWMGMGRTAD-LLVKDONJSA-N -1 1 350.364 -0.993 20 0 FBADMM Cn1cc([C@@H](CO)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000826358914 607938262 /nfs/dbraw/zinc/93/82/62/607938262.db2.gz NQWDVWMGMGRTAD-LLVKDONJSA-N -1 1 350.364 -0.993 20 0 FBADMM Cn1cc([C@H](CO)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000826358915 607938462 /nfs/dbraw/zinc/93/84/62/607938462.db2.gz NQWDVWMGMGRTAD-NSHDSACASA-N -1 1 350.364 -0.993 20 0 FBADMM Cn1cc([C@H](CO)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000826358915 607938461 /nfs/dbraw/zinc/93/84/61/607938461.db2.gz NQWDVWMGMGRTAD-NSHDSACASA-N -1 1 350.364 -0.993 20 0 FBADMM Cn1cc([C@H](CO)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cn1 ZINC000826358977 607938416 /nfs/dbraw/zinc/93/84/16/607938416.db2.gz QJJMQSRLRBTPOA-JTQLQIEISA-N -1 1 367.366 -0.249 20 0 FBADMM Cn1cc([C@H](CO)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cn1 ZINC000826358977 607938415 /nfs/dbraw/zinc/93/84/15/607938415.db2.gz QJJMQSRLRBTPOA-JTQLQIEISA-N -1 1 367.366 -0.249 20 0 FBADMM Cn1cc([C@@H](CO)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cn1 ZINC000826358978 607938428 /nfs/dbraw/zinc/93/84/28/607938428.db2.gz QJJMQSRLRBTPOA-SNVBAGLBSA-N -1 1 367.366 -0.249 20 0 FBADMM Cn1cc([C@@H](CO)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cn1 ZINC000826358978 607938427 /nfs/dbraw/zinc/93/84/27/607938427.db2.gz QJJMQSRLRBTPOA-SNVBAGLBSA-N -1 1 367.366 -0.249 20 0 FBADMM Cn1cc([C@@H](CO)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cn1 ZINC000826358996 607938528 /nfs/dbraw/zinc/93/85/28/607938528.db2.gz QYYAWAXZLFKQIG-LLVKDONJSA-N -1 1 367.366 -0.249 20 0 FBADMM Cn1cc([C@H](CO)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cn1 ZINC000826358997 607938353 /nfs/dbraw/zinc/93/83/53/607938353.db2.gz QYYAWAXZLFKQIG-NSHDSACASA-N -1 1 367.366 -0.249 20 0 FBADMM Cn1cc([C@]2(C)NC(=O)N(Cc3ccnc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000826359761 608546400 /nfs/dbraw/zinc/54/64/00/608546400.db2.gz PRPOBHRBVRMTBD-HNNXBMFYSA-N -1 1 353.346 -0.038 20 0 FBADMM Cn1cc([C@]2(C)NC(=O)N(Cc3ccnc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000826359761 608546398 /nfs/dbraw/zinc/54/63/98/608546398.db2.gz PRPOBHRBVRMTBD-HNNXBMFYSA-N -1 1 353.346 -0.038 20 0 FBADMM Cn1cc([C@@]2(C)NC(=O)N(Cc3ccnc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000826359762 608546229 /nfs/dbraw/zinc/54/62/29/608546229.db2.gz PRPOBHRBVRMTBD-OAHLLOKOSA-N -1 1 353.346 -0.038 20 0 FBADMM Cn1cc([C@@]2(C)NC(=O)N(Cc3ccnc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000826359762 608546227 /nfs/dbraw/zinc/54/62/27/608546227.db2.gz PRPOBHRBVRMTBD-OAHLLOKOSA-N -1 1 353.346 -0.038 20 0 FBADMM Cn1cc([C@H](O)CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cn1 ZINC000826359953 607647653 /nfs/dbraw/zinc/64/76/53/607647653.db2.gz TZTMZJGWBSZYTA-LLVKDONJSA-N -1 1 367.366 -0.249 20 0 FBADMM Cn1cc([C@@H](O)CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cn1 ZINC000826359954 607647397 /nfs/dbraw/zinc/64/73/97/607647397.db2.gz TZTMZJGWBSZYTA-NSHDSACASA-N -1 1 367.366 -0.249 20 0 FBADMM Cn1cc(/C=C/C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(=O)n(C)c1=O ZINC000826359986 607999526 /nfs/dbraw/zinc/99/95/26/607999526.db2.gz UOJNUEIAWDJKDQ-GQCTYLIASA-N -1 1 369.341 -0.378 20 0 FBADMM Cn1cc(/C=C\C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(=O)n(C)c1=O ZINC000826359987 607999684 /nfs/dbraw/zinc/99/96/84/607999684.db2.gz UOJNUEIAWDJKDQ-XQRVVYSFSA-N -1 1 369.341 -0.378 20 0 FBADMM Cn1cc([C@H](O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000826360077 607647884 /nfs/dbraw/zinc/64/78/84/607647884.db2.gz XBFPPGBOERFPTO-LLVKDONJSA-N -1 1 350.364 -0.993 20 0 FBADMM Cn1cc([C@H](O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000826360077 607647883 /nfs/dbraw/zinc/64/78/83/607647883.db2.gz XBFPPGBOERFPTO-LLVKDONJSA-N -1 1 350.364 -0.993 20 0 FBADMM Cn1cc([C@@H](O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000826360078 607647468 /nfs/dbraw/zinc/64/74/68/607647468.db2.gz XBFPPGBOERFPTO-NSHDSACASA-N -1 1 350.364 -0.993 20 0 FBADMM Cn1cc([C@@H](O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000826360078 607647466 /nfs/dbraw/zinc/64/74/66/607647466.db2.gz XBFPPGBOERFPTO-NSHDSACASA-N -1 1 350.364 -0.993 20 0 FBADMM Cn1cc([C@@H](O)CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cn1 ZINC000826360154 607647768 /nfs/dbraw/zinc/64/77/68/607647768.db2.gz ZCSNTNDOEZWKLC-JTQLQIEISA-N -1 1 367.366 -0.249 20 0 FBADMM Cn1cc([C@@H](O)CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cn1 ZINC000826360154 607647767 /nfs/dbraw/zinc/64/77/67/607647767.db2.gz ZCSNTNDOEZWKLC-JTQLQIEISA-N -1 1 367.366 -0.249 20 0 FBADMM Cn1cc([C@H](O)CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cn1 ZINC000826360155 607647541 /nfs/dbraw/zinc/64/75/41/607647541.db2.gz ZCSNTNDOEZWKLC-SNVBAGLBSA-N -1 1 367.366 -0.249 20 0 FBADMM Cn1cc([C@H](O)CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cn1 ZINC000826360155 607647539 /nfs/dbraw/zinc/64/75/39/607647539.db2.gz ZCSNTNDOEZWKLC-SNVBAGLBSA-N -1 1 367.366 -0.249 20 0 FBADMM Cn1cc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(C(F)(F)F)n1 ZINC000826360876 607428769 /nfs/dbraw/zinc/42/87/69/607428769.db2.gz BNZPPWWOKJJTNA-UHFFFAOYSA-N -1 1 356.272 -0.473 20 0 FBADMM Cn1cc(S(N)(=O)=O)cc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826362677 607598213 /nfs/dbraw/zinc/59/82/13/607598213.db2.gz CVNPEKHCBKILBR-UHFFFAOYSA-N -1 1 363.359 -0.395 20 0 FBADMM Cn1cc(S(N)(=O)=O)cc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826362677 607598211 /nfs/dbraw/zinc/59/82/11/607598211.db2.gz CVNPEKHCBKILBR-UHFFFAOYSA-N -1 1 363.359 -0.395 20 0 FBADMM Cn1ccnc(N2CCN(Cc3ccnc(-c4nn[n-]n4)c3)CC2)c1=O ZINC000826364125 607508947 /nfs/dbraw/zinc/50/89/47/607508947.db2.gz LUNZJJONWHWDOW-UHFFFAOYSA-N -1 1 353.390 -0.322 20 0 FBADMM Cn1cnn(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c1=O ZINC000826365102 607970909 /nfs/dbraw/zinc/97/09/09/607970909.db2.gz BNUCGHLZOFVKFW-UHFFFAOYSA-N -1 1 372.393 -0.593 20 0 FBADMM Cn1ncc2c1ncnc2N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826366673 607988526 /nfs/dbraw/zinc/98/85/26/607988526.db2.gz STECMDVVMMQKBL-UHFFFAOYSA-N -1 1 364.377 -0.340 20 0 FBADMM Cn1ncc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1C(F)F ZINC000826366812 607967610 /nfs/dbraw/zinc/96/76/10/607967610.db2.gz YVVDTEWERHPTCR-UHFFFAOYSA-N -1 1 353.293 -0.321 20 0 FBADMM Cn1nnnc1CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826367057 608247933 /nfs/dbraw/zinc/24/79/33/608247933.db2.gz KCDUYPDBXBKZDU-UHFFFAOYSA-N -1 1 369.798 -0.435 20 0 FBADMM Cn1nnnc1CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826367057 608247931 /nfs/dbraw/zinc/24/79/31/608247931.db2.gz KCDUYPDBXBKZDU-UHFFFAOYSA-N -1 1 369.798 -0.435 20 0 FBADMM Cn1nnnc1CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826367173 608248348 /nfs/dbraw/zinc/24/83/48/608248348.db2.gz ONKAUHXTJHLMOG-UHFFFAOYSA-N -1 1 353.343 -0.950 20 0 FBADMM NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)O1 ZINC000826389577 607672743 /nfs/dbraw/zinc/67/27/43/607672743.db2.gz BEOOUNRNWCXKNH-PSASIEDQSA-N -1 1 370.366 -0.683 20 0 FBADMM NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)O1 ZINC000826389578 607672272 /nfs/dbraw/zinc/67/22/72/607672272.db2.gz BEOOUNRNWCXKNH-SCZZXKLOSA-N -1 1 370.366 -0.683 20 0 FBADMM NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)O1 ZINC000826389579 607672374 /nfs/dbraw/zinc/67/23/74/607672374.db2.gz BEOOUNRNWCXKNH-WCBMZHEXSA-N -1 1 370.366 -0.683 20 0 FBADMM NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)O1 ZINC000826389580 607672422 /nfs/dbraw/zinc/67/24/22/607672422.db2.gz BEOOUNRNWCXKNH-WPRPVWTQSA-N -1 1 370.366 -0.683 20 0 FBADMM NC(=O)C1(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCOCC1 ZINC000826389719 607676987 /nfs/dbraw/zinc/67/69/87/607676987.db2.gz GPZVSYVYHCMNCJ-UHFFFAOYSA-N -1 1 370.366 -0.681 20 0 FBADMM NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)O1 ZINC000826389866 607672708 /nfs/dbraw/zinc/67/27/08/607672708.db2.gz KKGSNWDPPJAPFE-APPZFPTMSA-N -1 1 370.366 -0.683 20 0 FBADMM NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)O1 ZINC000826389866 607672705 /nfs/dbraw/zinc/67/27/05/607672705.db2.gz KKGSNWDPPJAPFE-APPZFPTMSA-N -1 1 370.366 -0.683 20 0 FBADMM NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)O1 ZINC000826389867 607672453 /nfs/dbraw/zinc/67/24/53/607672453.db2.gz KKGSNWDPPJAPFE-CBAPKCEASA-N -1 1 370.366 -0.683 20 0 FBADMM NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)O1 ZINC000826389867 607672451 /nfs/dbraw/zinc/67/24/51/607672451.db2.gz KKGSNWDPPJAPFE-CBAPKCEASA-N -1 1 370.366 -0.683 20 0 FBADMM NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)O1 ZINC000826389868 607672536 /nfs/dbraw/zinc/67/25/36/607672536.db2.gz KKGSNWDPPJAPFE-IONNQARKSA-N -1 1 370.366 -0.683 20 0 FBADMM NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)O1 ZINC000826389868 607672535 /nfs/dbraw/zinc/67/25/35/607672535.db2.gz KKGSNWDPPJAPFE-IONNQARKSA-N -1 1 370.366 -0.683 20 0 FBADMM NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)O1 ZINC000826389869 607672312 /nfs/dbraw/zinc/67/23/12/607672312.db2.gz KKGSNWDPPJAPFE-VXNVDRBHSA-N -1 1 370.366 -0.683 20 0 FBADMM NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)O1 ZINC000826389869 607672310 /nfs/dbraw/zinc/67/23/10/607672310.db2.gz KKGSNWDPPJAPFE-VXNVDRBHSA-N -1 1 370.366 -0.683 20 0 FBADMM NC(=O)C1(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCOCC1 ZINC000826390225 607677204 /nfs/dbraw/zinc/67/72/04/607677204.db2.gz UJADAFHCJACQLC-UHFFFAOYSA-N -1 1 370.366 -0.681 20 0 FBADMM NC(=O)C1(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCOCC1 ZINC000826390225 607677202 /nfs/dbraw/zinc/67/72/02/607677202.db2.gz UJADAFHCJACQLC-UHFFFAOYSA-N -1 1 370.366 -0.681 20 0 FBADMM NC(=O)CCC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000826390484 608448097 /nfs/dbraw/zinc/44/80/97/608448097.db2.gz BKXUAFBZUNPTBE-UHFFFAOYSA-N -1 1 365.419 -0.072 20 0 FBADMM NC(=O)CCC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000826390484 608448095 /nfs/dbraw/zinc/44/80/95/608448095.db2.gz BKXUAFBZUNPTBE-UHFFFAOYSA-N -1 1 365.419 -0.072 20 0 FBADMM NC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826390667 661110880 /nfs/dbraw/zinc/11/08/80/661110880.db2.gz HZIJFIZZRSXFEM-SECBINFHSA-N -1 1 372.407 -0.403 20 0 FBADMM NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826390668 661111204 /nfs/dbraw/zinc/11/12/04/661111204.db2.gz HZIJFIZZRSXFEM-VIFPVBQESA-N -1 1 372.407 -0.403 20 0 FBADMM NC(=O)[C@H]1COCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826390722 661110844 /nfs/dbraw/zinc/11/08/44/661110844.db2.gz JZAHXPAUMBYXSD-MRVPVSSYSA-N -1 1 372.794 -0.605 20 0 FBADMM NC(=O)[C@H]1COCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826390722 661110842 /nfs/dbraw/zinc/11/08/42/661110842.db2.gz JZAHXPAUMBYXSD-MRVPVSSYSA-N -1 1 372.794 -0.605 20 0 FBADMM NC(=O)[C@@H]1COCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826390723 661111154 /nfs/dbraw/zinc/11/11/54/661111154.db2.gz JZAHXPAUMBYXSD-QMMMGPOBSA-N -1 1 372.794 -0.605 20 0 FBADMM NC(=O)[C@@H]1COCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826390723 661111152 /nfs/dbraw/zinc/11/11/52/661111152.db2.gz JZAHXPAUMBYXSD-QMMMGPOBSA-N -1 1 372.794 -0.605 20 0 FBADMM NC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826390901 608805654 /nfs/dbraw/zinc/80/56/54/608805654.db2.gz QPPSSTHIYDQICS-SECBINFHSA-N -1 1 372.794 -0.605 20 0 FBADMM NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826390902 608805338 /nfs/dbraw/zinc/80/53/38/608805338.db2.gz QPPSSTHIYDQICS-VIFPVBQESA-N -1 1 372.794 -0.605 20 0 FBADMM NC(=O)[C@H]1CSCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826390903 608566041 /nfs/dbraw/zinc/56/60/41/608566041.db2.gz QRGOXWDODWJUKE-MRVPVSSYSA-N -1 1 372.407 -0.403 20 0 FBADMM NC(=O)[C@H]1CSCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826390903 608566040 /nfs/dbraw/zinc/56/60/40/608566040.db2.gz QRGOXWDODWJUKE-MRVPVSSYSA-N -1 1 372.407 -0.403 20 0 FBADMM NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826390904 608566106 /nfs/dbraw/zinc/56/61/06/608566106.db2.gz QRGOXWDODWJUKE-QMMMGPOBSA-N -1 1 372.407 -0.403 20 0 FBADMM NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826390904 608566104 /nfs/dbraw/zinc/56/61/04/608566104.db2.gz QRGOXWDODWJUKE-QMMMGPOBSA-N -1 1 372.407 -0.403 20 0 FBADMM NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826391104 608566433 /nfs/dbraw/zinc/56/64/33/608566433.db2.gz XAAPGVACGCINEU-JTQLQIEISA-N -1 1 372.407 -0.403 20 0 FBADMM NC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826391105 608566239 /nfs/dbraw/zinc/56/62/39/608566239.db2.gz XAAPGVACGCINEU-SNVBAGLBSA-N -1 1 372.407 -0.403 20 0 FBADMM NC(=O)COCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826391475 607743210 /nfs/dbraw/zinc/74/32/10/607743210.db2.gz NBGPWLAGIXQPGH-UHFFFAOYSA-N -1 1 360.783 -0.700 20 0 FBADMM NC(=O)COCCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826391475 607743209 /nfs/dbraw/zinc/74/32/09/607743209.db2.gz NBGPWLAGIXQPGH-UHFFFAOYSA-N -1 1 360.783 -0.700 20 0 FBADMM NC(=O)CNC(=O)c1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826391598 608400422 /nfs/dbraw/zinc/40/04/22/608400422.db2.gz SIQVABQCGSNIAF-UHFFFAOYSA-N -1 1 353.346 -0.516 20 0 FBADMM NC(=O)CNC(=O)c1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826391598 608400419 /nfs/dbraw/zinc/40/04/19/608400419.db2.gz SIQVABQCGSNIAF-UHFFFAOYSA-N -1 1 353.346 -0.516 20 0 FBADMM NC(=O)CCN(Cc1ccccc1)C(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000826391705 608013165 /nfs/dbraw/zinc/01/31/65/608013165.db2.gz YECJVZQIIJYFGK-UHFFFAOYSA-N -1 1 354.374 -0.033 20 0 FBADMM NC(=O)CCN(Cc1ccccc1)C(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000826391705 608013164 /nfs/dbraw/zinc/01/31/64/608013164.db2.gz YECJVZQIIJYFGK-UHFFFAOYSA-N -1 1 354.374 -0.033 20 0 FBADMM NC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000826391838 608098238 /nfs/dbraw/zinc/09/82/38/608098238.db2.gz DHXTWLBBTAPYHL-MRVPVSSYSA-N -1 1 371.810 -0.049 20 0 FBADMM NC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000826391839 608098358 /nfs/dbraw/zinc/09/83/58/608098358.db2.gz DHXTWLBBTAPYHL-QMMMGPOBSA-N -1 1 371.810 -0.049 20 0 FBADMM NC(=O)NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826391906 607669593 /nfs/dbraw/zinc/66/95/93/607669593.db2.gz GIWBMRHTPYUCOJ-UHFFFAOYSA-N -1 1 373.782 -0.617 20 0 FBADMM NC(=O)NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826391906 607669591 /nfs/dbraw/zinc/66/95/91/607669591.db2.gz GIWBMRHTPYUCOJ-UHFFFAOYSA-N -1 1 373.782 -0.617 20 0 FBADMM NC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000826391955 607605312 /nfs/dbraw/zinc/60/53/12/607605312.db2.gz IRCLJQUGYZOALJ-UHFFFAOYSA-N -1 1 369.382 -0.219 20 0 FBADMM NC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000826392191 608098112 /nfs/dbraw/zinc/09/81/12/608098112.db2.gz PYOASCXDWXQOGL-SSDOTTSWSA-N -1 1 355.355 -0.563 20 0 FBADMM NC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000826392192 608098264 /nfs/dbraw/zinc/09/82/64/608098264.db2.gz PYOASCXDWXQOGL-ZETCQYMHSA-N -1 1 355.355 -0.563 20 0 FBADMM NC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000826392221 608098125 /nfs/dbraw/zinc/09/81/25/608098125.db2.gz QXADBROQMNTPOG-MRVPVSSYSA-N -1 1 355.355 -0.563 20 0 FBADMM NC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000826392222 608098215 /nfs/dbraw/zinc/09/82/15/608098215.db2.gz QXADBROQMNTPOG-QMMMGPOBSA-N -1 1 355.355 -0.563 20 0 FBADMM NC(=O)N[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000826392370 608098279 /nfs/dbraw/zinc/09/82/79/608098279.db2.gz WAUMSCMHZMSVOF-SSDOTTSWSA-N -1 1 371.810 -0.049 20 0 FBADMM NC(=O)N[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000826392370 608098278 /nfs/dbraw/zinc/09/82/78/608098278.db2.gz WAUMSCMHZMSVOF-SSDOTTSWSA-N -1 1 371.810 -0.049 20 0 FBADMM NC(=O)N[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000826392371 608098354 /nfs/dbraw/zinc/09/83/54/608098354.db2.gz WAUMSCMHZMSVOF-ZETCQYMHSA-N -1 1 371.810 -0.049 20 0 FBADMM NC(=O)N[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000826392371 608098353 /nfs/dbraw/zinc/09/83/53/608098353.db2.gz WAUMSCMHZMSVOF-ZETCQYMHSA-N -1 1 371.810 -0.049 20 0 FBADMM NC(=O)NC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000826392462 607661276 /nfs/dbraw/zinc/66/12/76/607661276.db2.gz YUYWRJRCNOPCKP-UHFFFAOYSA-N -1 1 369.382 -0.173 20 0 FBADMM NC(=O)NC1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000826392465 607661067 /nfs/dbraw/zinc/66/10/67/607661067.db2.gz YYDRVHIFLDONLU-UHFFFAOYSA-N -1 1 369.382 -0.173 20 0 FBADMM NC(=O)NC1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000826392465 607661065 /nfs/dbraw/zinc/66/10/65/607661065.db2.gz YYDRVHIFLDONLU-UHFFFAOYSA-N -1 1 369.382 -0.173 20 0 FBADMM NC(=O)N[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000826392470 608098242 /nfs/dbraw/zinc/09/82/42/608098242.db2.gz ZBUUNWBJFYVQKT-SSDOTTSWSA-N -1 1 355.355 -0.563 20 0 FBADMM NC(=O)N[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000826392470 608098241 /nfs/dbraw/zinc/09/82/41/608098241.db2.gz ZBUUNWBJFYVQKT-SSDOTTSWSA-N -1 1 355.355 -0.563 20 0 FBADMM NC(=O)N[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000826392471 608098348 /nfs/dbraw/zinc/09/83/48/608098348.db2.gz ZBUUNWBJFYVQKT-ZETCQYMHSA-N -1 1 355.355 -0.563 20 0 FBADMM NC(=O)N[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000826392471 608098347 /nfs/dbraw/zinc/09/83/47/608098347.db2.gz ZBUUNWBJFYVQKT-ZETCQYMHSA-N -1 1 355.355 -0.563 20 0 FBADMM NC(=O)N1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000826392474 607605126 /nfs/dbraw/zinc/60/51/26/607605126.db2.gz ZHBODDKWIBUHRK-UHFFFAOYSA-N -1 1 369.382 -0.219 20 0 FBADMM NC(=O)N1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000826392474 607605125 /nfs/dbraw/zinc/60/51/25/607605125.db2.gz ZHBODDKWIBUHRK-UHFFFAOYSA-N -1 1 369.382 -0.219 20 0 FBADMM NC(=O)c1cc(C[N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)on1 ZINC000826392959 607742878 /nfs/dbraw/zinc/74/28/78/607742878.db2.gz VLOSBWZESKHGTR-UHFFFAOYSA-N -1 1 367.322 -0.429 20 0 FBADMM NC(=O)c1cc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)on1 ZINC000826393057 607742949 /nfs/dbraw/zinc/74/29/49/607742949.db2.gz ZPSIEDDFLAMPIG-UHFFFAOYSA-N -1 1 367.322 -0.429 20 0 FBADMM NC(=O)c1ccc(N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)nc1 ZINC000826393539 608400682 /nfs/dbraw/zinc/40/06/82/608400682.db2.gz WZKVPZGKWGMKFK-UHFFFAOYSA-N -1 1 352.362 -0.523 20 0 FBADMM NC(=O)c1ccc(N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)nc1 ZINC000826393539 608400681 /nfs/dbraw/zinc/40/06/81/608400681.db2.gz WZKVPZGKWGMKFK-UHFFFAOYSA-N -1 1 352.362 -0.523 20 0 FBADMM NC(=O)c1cnn2c1nccc2C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826393607 608171620 /nfs/dbraw/zinc/17/16/20/608171620.db2.gz APTBQIASXKQENV-UHFFFAOYSA-N -1 1 365.313 -0.034 20 0 FBADMM NC(=O)c1cn(C2CN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)nn1 ZINC000826393747 609491864 /nfs/dbraw/zinc/49/18/64/609491864.db2.gz HSYZKHVUYROCNL-UHFFFAOYSA-N -1 1 363.345 -0.438 20 0 FBADMM NC(=O)c1cn(C2CN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)nn1 ZINC000826393747 609491862 /nfs/dbraw/zinc/49/18/62/609491862.db2.gz HSYZKHVUYROCNL-UHFFFAOYSA-N -1 1 363.345 -0.438 20 0 FBADMM NC(=O)c1cccnc1N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826393868 608408385 /nfs/dbraw/zinc/40/83/85/608408385.db2.gz MUTDGCRSJVPIGL-UHFFFAOYSA-N -1 1 352.362 -0.523 20 0 FBADMM NC(=O)c1cccnc1N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826393868 608408383 /nfs/dbraw/zinc/40/83/83/608408383.db2.gz MUTDGCRSJVPIGL-UHFFFAOYSA-N -1 1 352.362 -0.523 20 0 FBADMM NC(=O)c1cn(C2CN(c3snc(Cl)c3-c3nn[n-]n3)C2)nn1 ZINC000826394108 609491451 /nfs/dbraw/zinc/49/14/51/609491451.db2.gz XDYUAFNUUOMKJP-UHFFFAOYSA-N -1 1 352.771 -0.272 20 0 FBADMM NC(=O)c1cn(C2CN(c3snc(Cl)c3-c3nnn[n-]3)C2)nn1 ZINC000826394108 609491448 /nfs/dbraw/zinc/49/14/48/609491448.db2.gz XDYUAFNUUOMKJP-UHFFFAOYSA-N -1 1 352.771 -0.272 20 0 FBADMM NS(=O)(=O)N1CCC(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1 ZINC000826394234 607999639 /nfs/dbraw/zinc/99/96/39/607999639.db2.gz CCETWEGUEKXDEW-UHFFFAOYSA-N -1 1 367.391 -0.574 20 0 FBADMM NS(=O)(=O)c1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC000826394363 608105203 /nfs/dbraw/zinc/10/52/03/608105203.db2.gz HHVDDHPUWUIRHI-UHFFFAOYSA-N -1 1 361.343 -0.339 20 0 FBADMM NS(=O)(=O)c1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])nc1 ZINC000826394519 608875002 /nfs/dbraw/zinc/87/50/02/608875002.db2.gz MYYYRDVETKTLDU-UHFFFAOYSA-N -1 1 361.343 -0.133 20 0 FBADMM NS(=O)(=O)c1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)nc1 ZINC000826394560 608772553 /nfs/dbraw/zinc/77/25/53/608772553.db2.gz OQPCXTAGQYTZNQ-UHFFFAOYSA-N -1 1 361.343 -0.339 20 0 FBADMM NS(=O)(=O)c1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)nc1 ZINC000826394560 608772549 /nfs/dbraw/zinc/77/25/49/608772549.db2.gz OQPCXTAGQYTZNQ-UHFFFAOYSA-N -1 1 361.343 -0.339 20 0 FBADMM NS(=O)(=O)c1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cn1 ZINC000826394654 608171367 /nfs/dbraw/zinc/17/13/67/608171367.db2.gz SKOULKDIIAEOQD-UHFFFAOYSA-N -1 1 361.343 -0.133 20 0 FBADMM NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000826395019 608013210 /nfs/dbraw/zinc/01/32/10/608013210.db2.gz JTMDSVLTDZKZGV-UHFFFAOYSA-N -1 1 374.386 -0.700 20 0 FBADMM NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000826395019 608013209 /nfs/dbraw/zinc/01/32/09/608013209.db2.gz JTMDSVLTDZKZGV-UHFFFAOYSA-N -1 1 374.386 -0.700 20 0 FBADMM Nc1n[nH]c(CCCNC(=S)NC[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826395164 607531213 /nfs/dbraw/zinc/53/12/13/607531213.db2.gz PBEYLBFZXCTYLC-MRVPVSSYSA-N -1 1 351.440 -0.395 20 0 FBADMM Nc1n[nH]c(CCCNC(=S)NC[C@H]2CCOC2)c1-c1nnn[n-]1 ZINC000826395164 607531212 /nfs/dbraw/zinc/53/12/12/607531212.db2.gz PBEYLBFZXCTYLC-MRVPVSSYSA-N -1 1 351.440 -0.395 20 0 FBADMM Nc1n[nH]c(CCCNC(=S)NC[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826395165 607531201 /nfs/dbraw/zinc/53/12/01/607531201.db2.gz PBEYLBFZXCTYLC-QMMMGPOBSA-N -1 1 351.440 -0.395 20 0 FBADMM Nc1n[nH]c(CCCNC(=S)NC[C@@H]2CCOC2)c1-c1nnn[n-]1 ZINC000826395165 607531200 /nfs/dbraw/zinc/53/12/00/607531200.db2.gz PBEYLBFZXCTYLC-QMMMGPOBSA-N -1 1 351.440 -0.395 20 0 FBADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(-c3nn[nH]n3)cn2)c1 ZINC000826395220 608212418 /nfs/dbraw/zinc/21/24/18/608212418.db2.gz SEBYSBKMRQNMMW-UHFFFAOYSA-N -1 1 361.343 -0.133 20 0 FBADMM Nc1ncnc2c1ncn2CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826396601 607612860 /nfs/dbraw/zinc/61/28/60/607612860.db2.gz FFQVOXGDFXNWNL-UHFFFAOYSA-N -1 1 352.318 -0.273 20 0 FBADMM Nc1ncnc2c1ncn2CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826396601 607612858 /nfs/dbraw/zinc/61/28/58/607612858.db2.gz FFQVOXGDFXNWNL-UHFFFAOYSA-N -1 1 352.318 -0.273 20 0 FBADMM O=C(C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1)N1CCCC1 ZINC000826396811 608599403 /nfs/dbraw/zinc/59/94/03/608599403.db2.gz LHYMANISFMRADH-UHFFFAOYSA-N -1 1 359.390 -0.274 20 0 FBADMM O=C(C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1)N1CCCC1 ZINC000826396811 608599399 /nfs/dbraw/zinc/59/93/99/608599399.db2.gz LHYMANISFMRADH-UHFFFAOYSA-N -1 1 359.390 -0.274 20 0 FBADMM O=C(C(=O)N1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1)N1CCCC1 ZINC000826397018 607487023 /nfs/dbraw/zinc/48/70/23/607487023.db2.gz RNBNJROGVWVKEP-UHFFFAOYSA-N -1 1 370.417 -0.472 20 0 FBADMM O=C(C(=O)N1CCN(Cc2ccnc(-c3nnn[n-]3)c2)CC1)N1CCCC1 ZINC000826397018 607487022 /nfs/dbraw/zinc/48/70/22/607487022.db2.gz RNBNJROGVWVKEP-UHFFFAOYSA-N -1 1 370.417 -0.472 20 0 FBADMM O=C([C@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000826398479 609227454 /nfs/dbraw/zinc/22/74/54/609227454.db2.gz XVPWYVWYUATJCO-GHMZBOCLSA-N -1 1 357.334 -0.987 20 0 FBADMM O=C([C@@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000826398480 609227315 /nfs/dbraw/zinc/22/73/15/609227315.db2.gz XVPWYVWYUATJCO-MNOVXSKESA-N -1 1 357.334 -0.987 20 0 FBADMM O=C([C@@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000826398481 609227329 /nfs/dbraw/zinc/22/73/29/609227329.db2.gz XVPWYVWYUATJCO-QWRGUYRKSA-N -1 1 357.334 -0.987 20 0 FBADMM O=C([C@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000826398482 609227384 /nfs/dbraw/zinc/22/73/84/609227384.db2.gz XVPWYVWYUATJCO-WDEREUQCSA-N -1 1 357.334 -0.987 20 0 FBADMM O=C([C@@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000826398583 609254198 /nfs/dbraw/zinc/25/41/98/609254198.db2.gz ZQKDOZMQSZYYDP-NEPJUHHUSA-N -1 1 355.362 -0.181 20 0 FBADMM O=C([C@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000826398584 609254106 /nfs/dbraw/zinc/25/41/06/609254106.db2.gz ZQKDOZMQSZYYDP-NWDGAFQWSA-N -1 1 355.362 -0.181 20 0 FBADMM O=C([C@@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000826398585 609254101 /nfs/dbraw/zinc/25/41/01/609254101.db2.gz ZQKDOZMQSZYYDP-RYUDHWBXSA-N -1 1 355.362 -0.181 20 0 FBADMM O=C([C@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000826398586 609254473 /nfs/dbraw/zinc/25/44/73/609254473.db2.gz ZQKDOZMQSZYYDP-VXGBXAGGSA-N -1 1 355.362 -0.181 20 0 FBADMM O=C(C[C@H]1COCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccco1 ZINC000826404664 607907448 /nfs/dbraw/zinc/90/74/48/607907448.db2.gz ICRAEQMAJUNQTQ-JTQLQIEISA-N -1 1 372.345 -0.448 20 0 FBADMM O=C(C[C@@H]1COCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccco1 ZINC000826404665 607907350 /nfs/dbraw/zinc/90/73/50/607907350.db2.gz ICRAEQMAJUNQTQ-SNVBAGLBSA-N -1 1 372.345 -0.448 20 0 FBADMM O=C(CCn1cc[n-]c(=O)c1=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826409464 607422815 /nfs/dbraw/zinc/42/28/15/607422815.db2.gz AGJMACPYBRGVRD-UHFFFAOYSA-N -1 1 367.369 -0.088 20 0 FBADMM O=C(CN1C(=O)CCC1=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000826409642 607897650 /nfs/dbraw/zinc/89/76/50/607897650.db2.gz IPGKKYZEGLNPRJ-UHFFFAOYSA-N -1 1 370.373 -0.941 20 0 FBADMM O=C(CN1C(=O)CCC1=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000826409642 607897649 /nfs/dbraw/zinc/89/76/49/607897649.db2.gz IPGKKYZEGLNPRJ-UHFFFAOYSA-N -1 1 370.373 -0.941 20 0 FBADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000826409859 607955349 /nfs/dbraw/zinc/95/53/49/607955349.db2.gz RODFEBVYFWTRJK-UHFFFAOYSA-N -1 1 353.342 -0.304 20 0 FBADMM O=C(CN1C(=O)CCC1=O)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826410046 608612042 /nfs/dbraw/zinc/61/20/42/608612042.db2.gz ZGQJXVQTLRADJS-UHFFFAOYSA-N -1 1 373.373 -0.747 20 0 FBADMM O=C(CN1C(=O)CCC1=O)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826410046 608612040 /nfs/dbraw/zinc/61/20/40/608612040.db2.gz ZGQJXVQTLRADJS-UHFFFAOYSA-N -1 1 373.373 -0.747 20 0 FBADMM O=C(CN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)Nc1nncs1 ZINC000826410923 609489263 /nfs/dbraw/zinc/48/92/63/609489263.db2.gz DHEBSAWTRWXOPD-UHFFFAOYSA-N -1 1 372.418 -0.126 20 0 FBADMM O=C(CN1CCN(c2cccc(-c3nnn[n-]3)n2)CC1)Nc1nncs1 ZINC000826410923 609489261 /nfs/dbraw/zinc/48/92/61/609489261.db2.gz DHEBSAWTRWXOPD-UHFFFAOYSA-N -1 1 372.418 -0.126 20 0 FBADMM O=C(CN1CCN(c2nccnc2-c2nn[n-]n2)CC1)Nc1nncs1 ZINC000826411010 608866742 /nfs/dbraw/zinc/86/67/42/608866742.db2.gz HPNGYMIUHFNCNH-UHFFFAOYSA-N -1 1 373.406 -0.731 20 0 FBADMM O=C(CN1CCN(c2nccnc2-c2nnn[n-]2)CC1)Nc1nncs1 ZINC000826411010 608866737 /nfs/dbraw/zinc/86/67/37/608866737.db2.gz HPNGYMIUHFNCNH-UHFFFAOYSA-N -1 1 373.406 -0.731 20 0 FBADMM O=C(CN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)N1CCCCC1 ZINC000826411062 607988636 /nfs/dbraw/zinc/98/86/36/607988636.db2.gz JPKOUFIAFSHGIF-UHFFFAOYSA-N -1 1 357.422 -0.209 20 0 FBADMM O=C(CN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)N1CCCCC1 ZINC000826411062 607988635 /nfs/dbraw/zinc/98/86/35/607988635.db2.gz JPKOUFIAFSHGIF-UHFFFAOYSA-N -1 1 357.422 -0.209 20 0 FBADMM O=C(CN1CCOCC1)N1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000826411065 607478660 /nfs/dbraw/zinc/47/86/60/607478660.db2.gz JTYFWBPEQRFGHB-UHFFFAOYSA-N -1 1 372.433 -0.762 20 0 FBADMM O=C(CN1CCOCC1)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826411088 608511734 /nfs/dbraw/zinc/51/17/34/608511734.db2.gz KNZCHEFROILVFB-UHFFFAOYSA-N -1 1 361.406 -0.564 20 0 FBADMM O=C(CN1CCOCC1)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826411088 608511732 /nfs/dbraw/zinc/51/17/32/608511732.db2.gz KNZCHEFROILVFB-UHFFFAOYSA-N -1 1 361.406 -0.564 20 0 FBADMM O=C(CN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)Nc1nncs1 ZINC000826411181 609489024 /nfs/dbraw/zinc/48/90/24/609489024.db2.gz OAOOTQIHYVVUCV-UHFFFAOYSA-N -1 1 373.406 -0.731 20 0 FBADMM O=C(CN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)Nc1nncs1 ZINC000826411181 609489023 /nfs/dbraw/zinc/48/90/23/609489023.db2.gz OAOOTQIHYVVUCV-UHFFFAOYSA-N -1 1 373.406 -0.731 20 0 FBADMM O=C(CN1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1)N1CCOCC1 ZINC000826411198 607480831 /nfs/dbraw/zinc/48/08/31/607480831.db2.gz OKKIDPYEFCUENT-UHFFFAOYSA-N -1 1 372.433 -0.762 20 0 FBADMM O=C(CN1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1)N1CCOCC1 ZINC000826411248 608505273 /nfs/dbraw/zinc/50/52/73/608505273.db2.gz QQEKUUBOZUCALK-UHFFFAOYSA-N -1 1 361.406 -0.564 20 0 FBADMM O=C(CN1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1)N1CCOCC1 ZINC000826411248 608505271 /nfs/dbraw/zinc/50/52/71/608505271.db2.gz QQEKUUBOZUCALK-UHFFFAOYSA-N -1 1 361.406 -0.564 20 0 FBADMM O=C(CN1CCS(=O)(=O)CC1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826411432 607601673 /nfs/dbraw/zinc/60/16/73/607601673.db2.gz XUYFPAJGIQUYLS-UHFFFAOYSA-N -1 1 352.376 -0.965 20 0 FBADMM O=C(CN1CCS(=O)(=O)CC1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826411432 607601671 /nfs/dbraw/zinc/60/16/71/607601671.db2.gz XUYFPAJGIQUYLS-UHFFFAOYSA-N -1 1 352.376 -0.965 20 0 FBADMM O=C(CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)N1CCOCC1 ZINC000826412723 661110952 /nfs/dbraw/zinc/11/09/52/661110952.db2.gz APRHTYRKOZPXPG-UHFFFAOYSA-N -1 1 370.366 -0.857 20 0 FBADMM O=C(CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)N1CCOCC1 ZINC000826412723 661110950 /nfs/dbraw/zinc/11/09/50/661110950.db2.gz APRHTYRKOZPXPG-UHFFFAOYSA-N -1 1 370.366 -0.857 20 0 FBADMM O=C(CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)N1CCOCC1 ZINC000826412851 661110998 /nfs/dbraw/zinc/11/09/98/661110998.db2.gz GCQHBICYNDRZHP-UHFFFAOYSA-N -1 1 370.366 -0.857 20 0 FBADMM O=C(CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)NCC1CC1 ZINC000826412945 609334070 /nfs/dbraw/zinc/33/40/70/609334070.db2.gz KOYWFJNFIGYEJV-UHFFFAOYSA-N -1 1 354.367 -0.190 20 0 FBADMM O=C(CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)NCC1CC1 ZINC000826413197 609334148 /nfs/dbraw/zinc/33/41/48/609334148.db2.gz VQLIEAFPGDWVAN-UHFFFAOYSA-N -1 1 354.367 -0.190 20 0 FBADMM O=C(CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)NCC1CC1 ZINC000826413197 609334146 /nfs/dbraw/zinc/33/41/46/609334146.db2.gz VQLIEAFPGDWVAN-UHFFFAOYSA-N -1 1 354.367 -0.190 20 0 FBADMM O=C(CNc1ccc(-c2nn[nH]n2)cn1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000826413409 608554543 /nfs/dbraw/zinc/55/45/43/608554543.db2.gz DIUNIABMYVOMHK-JTQLQIEISA-N -1 1 355.366 -0.407 20 0 FBADMM O=C(CNc1ccc(-c2nn[nH]n2)cn1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000826413410 608554669 /nfs/dbraw/zinc/55/46/69/608554669.db2.gz DIUNIABMYVOMHK-SNVBAGLBSA-N -1 1 355.366 -0.407 20 0 FBADMM O=C(Cn1ccc(Nc2ccc(-c3nn[n-]n3)nn2)n1)N1CCOCC1 ZINC000826424571 608420021 /nfs/dbraw/zinc/42/00/21/608420021.db2.gz RYHIPDAUKJRIMK-UHFFFAOYSA-N -1 1 356.350 -0.544 20 0 FBADMM O=C(Cn1ccc(Nc2ccc(-c3nnn[n-]3)nn2)n1)N1CCOCC1 ZINC000826424571 608420020 /nfs/dbraw/zinc/42/00/20/608420020.db2.gz RYHIPDAUKJRIMK-UHFFFAOYSA-N -1 1 356.350 -0.544 20 0 FBADMM O=C(Cn1cc(Nc2ccc(-c3nn[n-]n3)nn2)cn1)N1CCOCC1 ZINC000826424717 608423444 /nfs/dbraw/zinc/42/34/44/608423444.db2.gz ZOUGCBXFMXTRES-UHFFFAOYSA-N -1 1 356.350 -0.544 20 0 FBADMM O=C(Cn1cc(Nc2ccc(-c3nnn[n-]3)nn2)cn1)N1CCOCC1 ZINC000826424717 608423443 /nfs/dbraw/zinc/42/34/43/608423443.db2.gz ZOUGCBXFMXTRES-UHFFFAOYSA-N -1 1 356.350 -0.544 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(c2ccc(F)cn2)CC1 ZINC000826424740 608593044 /nfs/dbraw/zinc/59/30/44/608593044.db2.gz APUFTJUEUCXUND-UHFFFAOYSA-N -1 1 358.341 -0.659 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(c2ncccc2F)CC1 ZINC000826424772 608073706 /nfs/dbraw/zinc/07/37/06/608073706.db2.gz BZLYRPOIJKHIPT-UHFFFAOYSA-N -1 1 358.341 -0.659 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000826424866 609264876 /nfs/dbraw/zinc/26/48/76/609264876.db2.gz HALFYIQWYSSRSQ-HNNXBMFYSA-N -1 1 358.337 -0.283 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000826424867 609264465 /nfs/dbraw/zinc/26/44/65/609264465.db2.gz HALFYIQWYSSRSQ-OAHLLOKOSA-N -1 1 358.337 -0.283 20 0 FBADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1cc(-n2cnnn2)ccc1F ZINC000826424951 608147915 /nfs/dbraw/zinc/14/79/15/608147915.db2.gz JTBGGNUOSFWWDB-UHFFFAOYSA-N -1 1 355.297 -0.183 20 0 FBADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1cc(-n2cnnn2)ccc1F ZINC000826424951 608147914 /nfs/dbraw/zinc/14/79/14/608147914.db2.gz JTBGGNUOSFWWDB-UHFFFAOYSA-N -1 1 355.297 -0.183 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC(=O)N(Cc2ccccc2)C1 ZINC000826424979 608171717 /nfs/dbraw/zinc/17/17/17/608171717.db2.gz LFCCIFGZOOFSCR-UHFFFAOYSA-N -1 1 353.346 -0.713 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000826425012 608250654 /nfs/dbraw/zinc/25/06/54/608250654.db2.gz MINBWCKVIIHJNL-JTQLQIEISA-N -1 1 369.393 -0.140 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000826425013 608250880 /nfs/dbraw/zinc/25/08/80/608250880.db2.gz MINBWCKVIIHJNL-SNVBAGLBSA-N -1 1 369.393 -0.140 20 0 FBADMM O=C(Cn1ccnc1-c1nn[n-]n1)NCCOc1ccc2c(c1)OCO2 ZINC000826425027 608888556 /nfs/dbraw/zinc/88/85/56/608888556.db2.gz NBVVAVQMXMYVHD-UHFFFAOYSA-N -1 1 357.330 -0.013 20 0 FBADMM O=C(Cn1ccnc1-c1nnn[n-]1)NCCOc1ccc2c(c1)OCO2 ZINC000826425027 608888555 /nfs/dbraw/zinc/88/85/55/608888555.db2.gz NBVVAVQMXMYVHD-UHFFFAOYSA-N -1 1 357.330 -0.013 20 0 FBADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1CCN(C(=O)c2ccco2)CC1 ZINC000826425132 608149156 /nfs/dbraw/zinc/14/91/56/608149156.db2.gz QUDCLZFGOWVXMU-UHFFFAOYSA-N -1 1 356.346 -0.359 20 0 FBADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1CCN(C(=O)c2ccco2)CC1 ZINC000826425132 608149153 /nfs/dbraw/zinc/14/91/53/608149153.db2.gz QUDCLZFGOWVXMU-UHFFFAOYSA-N -1 1 356.346 -0.359 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](CO)c1c(F)cccc1F ZINC000826425266 661110858 /nfs/dbraw/zinc/11/08/58/661110858.db2.gz WLGNFHADHHYCEO-SECBINFHSA-N -1 1 350.289 -0.414 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](CO)c1c(F)cccc1F ZINC000826425267 661111117 /nfs/dbraw/zinc/11/11/17/661111117.db2.gz WLGNFHADHHYCEO-VIFPVBQESA-N -1 1 350.289 -0.414 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000826425424 608102023 /nfs/dbraw/zinc/10/20/23/608102023.db2.gz CTVQFWDFIGNUGJ-KHQFGBGNSA-N -1 1 352.449 -0.046 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000826425425 608102113 /nfs/dbraw/zinc/10/21/13/608102113.db2.gz CTVQFWDFIGNUGJ-MRTMQBJTSA-N -1 1 352.449 -0.046 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000826425426 608102037 /nfs/dbraw/zinc/10/20/37/608102037.db2.gz CTVQFWDFIGNUGJ-NQMVMOMDSA-N -1 1 352.449 -0.046 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000826425427 608102075 /nfs/dbraw/zinc/10/20/75/608102075.db2.gz CTVQFWDFIGNUGJ-WEDXCCLWSA-N -1 1 352.449 -0.046 20 0 FBADMM O=C(Cn1cnnn1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826425448 609289453 /nfs/dbraw/zinc/28/94/53/609289453.db2.gz DTWAQNPWCHQTCY-UHFFFAOYSA-N -1 1 355.297 -0.183 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(CN2CCOCC2)n1 ZINC000826425475 608477208 /nfs/dbraw/zinc/47/72/08/608477208.db2.gz FUUXEWRSUBVUAB-UHFFFAOYSA-N -1 1 370.377 -0.676 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1c[nH]cc(Br)c1=O ZINC000826425668 608040800 /nfs/dbraw/zinc/04/08/00/608040800.db2.gz NRFWGTLCIJRMBN-UHFFFAOYSA-N -1 1 366.139 -0.452 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCNC(=O)NC1CCCCC1 ZINC000826425857 608107162 /nfs/dbraw/zinc/10/71/62/608107162.db2.gz WTUGGCCOQROBLL-UHFFFAOYSA-N -1 1 362.398 -0.794 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccn(-c2ncccc2F)n1 ZINC000826425901 608009743 /nfs/dbraw/zinc/00/97/43/608009743.db2.gz ZELUMXGKAUNHFF-UHFFFAOYSA-N -1 1 355.297 -0.183 20 0 FBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1cccnc1OCC(F)F ZINC000826425903 608180478 /nfs/dbraw/zinc/18/04/78/608180478.db2.gz ZHFUFNLTFIJDAL-UHFFFAOYSA-N -1 1 365.304 -0.187 20 0 FBADMM O=C(NC1CC1)C(=O)N1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000826428458 607487173 /nfs/dbraw/zinc/48/71/73/607487173.db2.gz CDPAJMYNLGWOLA-UHFFFAOYSA-N -1 1 356.390 -0.816 20 0 FBADMM O=C(NC1CC1)C(=O)N1CCN(Cc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000826428458 607487172 /nfs/dbraw/zinc/48/71/72/607487172.db2.gz CDPAJMYNLGWOLA-UHFFFAOYSA-N -1 1 356.390 -0.816 20 0 FBADMM O=C(NC1(c2nn[n-]n2)CCCC1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826428587 609233355 /nfs/dbraw/zinc/23/33/55/609233355.db2.gz GFMPRXCQMKDISF-LLVKDONJSA-N -1 1 355.362 -0.001 20 0 FBADMM O=C(NC1(c2nn[n-]n2)CCCC1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826428588 609233299 /nfs/dbraw/zinc/23/32/99/609233299.db2.gz GFMPRXCQMKDISF-NSHDSACASA-N -1 1 355.362 -0.001 20 0 FBADMM O=C(NC1CC1)C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826428669 608599262 /nfs/dbraw/zinc/59/92/62/608599262.db2.gz IHDRQNPKLFMCHV-UHFFFAOYSA-N -1 1 361.431 -0.149 20 0 FBADMM O=C(NC[C@@H](O)CO)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826432748 609361905 /nfs/dbraw/zinc/36/19/05/609361905.db2.gz JRXMGYMIUKOYBC-MRVPVSSYSA-N -1 1 362.325 -0.334 20 0 FBADMM O=C(NC[C@H](O)CO)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826432749 609361830 /nfs/dbraw/zinc/36/18/30/609361830.db2.gz JRXMGYMIUKOYBC-QMMMGPOBSA-N -1 1 362.325 -0.334 20 0 FBADMM O=C(NCCCO)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826437190 609354878 /nfs/dbraw/zinc/35/48/78/609354878.db2.gz ZVRKVAJQZUDIIK-UHFFFAOYSA-N -1 1 374.336 -0.371 20 0 FBADMM O=C(NCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC000826437375 607579217 /nfs/dbraw/zinc/57/92/17/607579217.db2.gz IIZXJDDICZLCDL-UHFFFAOYSA-N -1 1 354.367 -0.190 20 0 FBADMM O=C(NCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC000826437375 607579215 /nfs/dbraw/zinc/57/92/15/607579215.db2.gz IIZXJDDICZLCDL-UHFFFAOYSA-N -1 1 354.367 -0.190 20 0 FBADMM O=C(NCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C1CC1 ZINC000826437533 607579040 /nfs/dbraw/zinc/57/90/40/607579040.db2.gz PJLRTJKNBGLGDN-UHFFFAOYSA-N -1 1 354.367 -0.190 20 0 FBADMM O=C(NCCO)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826438385 609354224 /nfs/dbraw/zinc/35/42/24/609354224.db2.gz ANGJZTZGSNZACW-UHFFFAOYSA-N -1 1 360.309 -0.762 20 0 FBADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)NC(CO)CO ZINC000826458043 609364311 /nfs/dbraw/zinc/36/43/11/609364311.db2.gz AMGSBORGDPKBHJ-UHFFFAOYSA-N -1 1 362.325 -0.334 20 0 FBADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(CCO)CCN1CCOCC1 ZINC000826472502 607942516 /nfs/dbraw/zinc/94/25/16/607942516.db2.gz MJLQFTCTXKOHMU-UHFFFAOYSA-N -1 1 352.420 -0.305 20 0 FBADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(CCO)CCN1CCOCC1 ZINC000826472502 607942515 /nfs/dbraw/zinc/94/25/15/607942515.db2.gz MJLQFTCTXKOHMU-UHFFFAOYSA-N -1 1 352.420 -0.305 20 0 FBADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](OCCN2CCOCC2)C1 ZINC000826472843 609389708 /nfs/dbraw/zinc/38/97/08/609389708.db2.gz YOEDDLYSYZADCW-AWEZNQCLSA-N -1 1 373.417 -0.175 20 0 FBADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC000826472844 609389788 /nfs/dbraw/zinc/38/97/88/609389788.db2.gz YOEDDLYSYZADCW-CQSZACIVSA-N -1 1 373.417 -0.175 20 0 FBADMM O=C1C[C@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CN1C1CC1 ZINC000826478980 609585579 /nfs/dbraw/zinc/58/55/79/609585579.db2.gz NNTDDWMFDPEYRU-SECBINFHSA-N -1 1 363.403 -0.449 20 0 FBADMM O=C1C[C@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CN1C1CC1 ZINC000826478980 609585578 /nfs/dbraw/zinc/58/55/78/609585578.db2.gz NNTDDWMFDPEYRU-SECBINFHSA-N -1 1 363.403 -0.449 20 0 FBADMM O=C1C[C@@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CN1C1CC1 ZINC000826478981 609585644 /nfs/dbraw/zinc/58/56/44/609585644.db2.gz NNTDDWMFDPEYRU-VIFPVBQESA-N -1 1 363.403 -0.449 20 0 FBADMM O=C1C[C@@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CN1C1CC1 ZINC000826478981 609585641 /nfs/dbraw/zinc/58/56/41/609585641.db2.gz NNTDDWMFDPEYRU-VIFPVBQESA-N -1 1 363.403 -0.449 20 0 FBADMM O=C1CCC(=O)N1CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826479670 607615567 /nfs/dbraw/zinc/61/55/67/607615567.db2.gz FIPGLGZXCRRPFK-UHFFFAOYSA-N -1 1 368.350 -0.567 20 0 FBADMM O=C1CCC(=O)N1CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826480115 607615615 /nfs/dbraw/zinc/61/56/15/607615615.db2.gz RIUUUIKWBPIXTQ-UHFFFAOYSA-N -1 1 368.350 -0.567 20 0 FBADMM O=C1CCC(=O)N1CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826480115 607615613 /nfs/dbraw/zinc/61/56/13/607615613.db2.gz RIUUUIKWBPIXTQ-UHFFFAOYSA-N -1 1 368.350 -0.567 20 0 FBADMM O=C1NC(=O)N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)C[C@@H]12 ZINC000826482073 609431101 /nfs/dbraw/zinc/43/11/01/609431101.db2.gz QVYWUFMLEUTGTN-JTQLQIEISA-N -1 1 351.330 -0.450 20 0 FBADMM O=C1NC(=O)N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)C[C@@H]12 ZINC000826482073 609431099 /nfs/dbraw/zinc/43/10/99/609431099.db2.gz QVYWUFMLEUTGTN-JTQLQIEISA-N -1 1 351.330 -0.450 20 0 FBADMM O=C1NC(=O)N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)C[C@H]12 ZINC000826482074 609431357 /nfs/dbraw/zinc/43/13/57/609431357.db2.gz QVYWUFMLEUTGTN-SNVBAGLBSA-N -1 1 351.330 -0.450 20 0 FBADMM O=C1NC(=O)N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)C[C@H]12 ZINC000826482074 609431354 /nfs/dbraw/zinc/43/13/54/609431354.db2.gz QVYWUFMLEUTGTN-SNVBAGLBSA-N -1 1 351.330 -0.450 20 0 FBADMM O=C1NCCCC[C@H]1NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826482514 607585964 /nfs/dbraw/zinc/58/59/64/607585964.db2.gz HLIHXJYUPVOZLQ-SECBINFHSA-N -1 1 354.367 -0.047 20 0 FBADMM O=C1NCCCC[C@H]1NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826482514 607585962 /nfs/dbraw/zinc/58/59/62/607585962.db2.gz HLIHXJYUPVOZLQ-SECBINFHSA-N -1 1 354.367 -0.047 20 0 FBADMM O=C1NCCCC[C@@H]1NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826482515 607585932 /nfs/dbraw/zinc/58/59/32/607585932.db2.gz HLIHXJYUPVOZLQ-VIFPVBQESA-N -1 1 354.367 -0.047 20 0 FBADMM O=C1NCCCC[C@@H]1NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826482515 607585931 /nfs/dbraw/zinc/58/59/31/607585931.db2.gz HLIHXJYUPVOZLQ-VIFPVBQESA-N -1 1 354.367 -0.047 20 0 FBADMM O=C1NC[C@@H](CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)O1 ZINC000826482609 607858513 /nfs/dbraw/zinc/85/85/13/607858513.db2.gz KUKGUYZPUOGUAE-JTQLQIEISA-N -1 1 360.378 -0.038 20 0 FBADMM O=C1NC[C@H](CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)O1 ZINC000826482610 607858446 /nfs/dbraw/zinc/85/84/46/607858446.db2.gz KUKGUYZPUOGUAE-SNVBAGLBSA-N -1 1 360.378 -0.038 20 0 FBADMM O=C1NCCCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826482728 607585645 /nfs/dbraw/zinc/58/56/45/607585645.db2.gz OPORDPBDLYMUQV-JTQLQIEISA-N -1 1 354.367 -0.047 20 0 FBADMM O=C1NCCCC[C@H]1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826482729 607585869 /nfs/dbraw/zinc/58/58/69/607585869.db2.gz OPORDPBDLYMUQV-SNVBAGLBSA-N -1 1 354.367 -0.047 20 0 FBADMM O=C1OCC[C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CCN12 ZINC000826483292 608111931 /nfs/dbraw/zinc/11/19/31/608111931.db2.gz IPDNYJAVJOYZED-SECBINFHSA-N -1 1 365.375 -0.523 20 0 FBADMM O=C1OCC[C@@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CCN12 ZINC000826483292 608111930 /nfs/dbraw/zinc/11/19/30/608111930.db2.gz IPDNYJAVJOYZED-SECBINFHSA-N -1 1 365.375 -0.523 20 0 FBADMM O=C1OCC[C@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CCN12 ZINC000826483293 608112040 /nfs/dbraw/zinc/11/20/40/608112040.db2.gz IPDNYJAVJOYZED-VIFPVBQESA-N -1 1 365.375 -0.523 20 0 FBADMM O=C1OCC[C@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CCN12 ZINC000826483293 608112039 /nfs/dbraw/zinc/11/20/39/608112039.db2.gz IPDNYJAVJOYZED-VIFPVBQESA-N -1 1 365.375 -0.523 20 0 FBADMM O=S(=O)(CCNc1ccc(-c2nn[n-]n2)nn1)NC[C@@H]1CCCCO1 ZINC000826485362 661111404 /nfs/dbraw/zinc/11/14/04/661111404.db2.gz NQPJGTNWSUFHBT-JTQLQIEISA-N -1 1 368.423 -0.443 20 0 FBADMM O=S(=O)(CCNc1ccc(-c2nnn[n-]2)nn1)NC[C@@H]1CCCCO1 ZINC000826485362 661111399 /nfs/dbraw/zinc/11/13/99/661111399.db2.gz NQPJGTNWSUFHBT-JTQLQIEISA-N -1 1 368.423 -0.443 20 0 FBADMM O=S(=O)(CCNc1ccc(-c2nn[n-]n2)nn1)NC[C@H]1CCCCO1 ZINC000826485363 661111558 /nfs/dbraw/zinc/11/15/58/661111558.db2.gz NQPJGTNWSUFHBT-SNVBAGLBSA-N -1 1 368.423 -0.443 20 0 FBADMM O=S(=O)(CCNc1ccc(-c2nnn[n-]2)nn1)NC[C@H]1CCCCO1 ZINC000826485363 661111555 /nfs/dbraw/zinc/11/15/55/661111555.db2.gz NQPJGTNWSUFHBT-SNVBAGLBSA-N -1 1 368.423 -0.443 20 0 FBADMM O=S(=O)(CCNc1ccc(-c2nn[n-]n2)nn1)N1CCSCC1 ZINC000826485388 608416020 /nfs/dbraw/zinc/41/60/20/608416020.db2.gz OOFSCNNMLAZJFR-UHFFFAOYSA-N -1 1 356.437 -0.553 20 0 FBADMM O=S(=O)(CCNc1ccc(-c2nnn[n-]2)nn1)N1CCSCC1 ZINC000826485388 608416019 /nfs/dbraw/zinc/41/60/19/608416019.db2.gz OOFSCNNMLAZJFR-UHFFFAOYSA-N -1 1 356.437 -0.553 20 0 FBADMM O=S(=O)(N[C@H](CO)CC(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487620 607938434 /nfs/dbraw/zinc/93/84/34/607938434.db2.gz UQVZDMQZEQPZRC-LURJTMIESA-N -1 1 352.298 -0.147 20 0 FBADMM O=S(=O)(N[C@H](CO)CC(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487620 607938433 /nfs/dbraw/zinc/93/84/33/607938433.db2.gz UQVZDMQZEQPZRC-LURJTMIESA-N -1 1 352.298 -0.147 20 0 FBADMM O=S(=O)(N[C@@H](CO)CC(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487621 607938321 /nfs/dbraw/zinc/93/83/21/607938321.db2.gz UQVZDMQZEQPZRC-ZCFIWIBFSA-N -1 1 352.298 -0.147 20 0 FBADMM O=S(=O)(N[C@@H](CO)CC(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487621 607938320 /nfs/dbraw/zinc/93/83/20/607938320.db2.gz UQVZDMQZEQPZRC-ZCFIWIBFSA-N -1 1 352.298 -0.147 20 0 FBADMM O=S(=O)(NC1CCCC1)C1CN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826488455 609366612 /nfs/dbraw/zinc/36/66/12/609366612.db2.gz QFPFIBMBLPBLBW-UHFFFAOYSA-N -1 1 350.408 -0.293 20 0 FBADMM O=S(=O)(NC1CCCC1)C1CN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826488455 609366611 /nfs/dbraw/zinc/36/66/11/609366611.db2.gz QFPFIBMBLPBLBW-UHFFFAOYSA-N -1 1 350.408 -0.293 20 0 FBADMM O=S(=O)(NC1CCCC1)C1CN(c2nccnc2-c2nn[n-]n2)C1 ZINC000826488578 609367060 /nfs/dbraw/zinc/36/70/60/609367060.db2.gz TYTSAHSRENQMGQ-UHFFFAOYSA-N -1 1 350.408 -0.293 20 0 FBADMM O=S(=O)(NC1CCCC1)C1CN(c2nccnc2-c2nnn[n-]2)C1 ZINC000826488578 609367058 /nfs/dbraw/zinc/36/70/58/609367058.db2.gz TYTSAHSRENQMGQ-UHFFFAOYSA-N -1 1 350.408 -0.293 20 0 FBADMM O=S(=O)(N[C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489339 608159444 /nfs/dbraw/zinc/15/94/44/608159444.db2.gz MVOPCDBBKOGJKP-HZMBPMFUSA-N -1 1 366.403 -0.122 20 0 FBADMM O=S(=O)(N[C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489339 608159443 /nfs/dbraw/zinc/15/94/43/608159443.db2.gz MVOPCDBBKOGJKP-HZMBPMFUSA-N -1 1 366.403 -0.122 20 0 FBADMM O=S(=O)(N[C@H]1CCO[C@]2(CCOC2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489340 608159656 /nfs/dbraw/zinc/15/96/56/608159656.db2.gz MVOPCDBBKOGJKP-IINYFYTJSA-N -1 1 366.403 -0.122 20 0 FBADMM O=S(=O)(N[C@H]1CCO[C@]2(CCOC2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489340 608159655 /nfs/dbraw/zinc/15/96/55/608159655.db2.gz MVOPCDBBKOGJKP-IINYFYTJSA-N -1 1 366.403 -0.122 20 0 FBADMM O=S(=O)(N[C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489341 608159212 /nfs/dbraw/zinc/15/92/12/608159212.db2.gz MVOPCDBBKOGJKP-QMTHXVAHSA-N -1 1 366.403 -0.122 20 0 FBADMM O=S(=O)(N[C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489341 608159209 /nfs/dbraw/zinc/15/92/09/608159209.db2.gz MVOPCDBBKOGJKP-QMTHXVAHSA-N -1 1 366.403 -0.122 20 0 FBADMM O=S(=O)(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489342 608159570 /nfs/dbraw/zinc/15/95/70/608159570.db2.gz MVOPCDBBKOGJKP-YGRLFVJLSA-N -1 1 366.403 -0.122 20 0 FBADMM O=S(=O)(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489342 608159568 /nfs/dbraw/zinc/15/95/68/608159568.db2.gz MVOPCDBBKOGJKP-YGRLFVJLSA-N -1 1 366.403 -0.122 20 0 FBADMM O=S(=O)(NC[C@@H](CO)Cc1ccco1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489378 607906439 /nfs/dbraw/zinc/90/64/39/607906439.db2.gz NVNNDRSKZCTBFF-JTQLQIEISA-N -1 1 364.387 -0.016 20 0 FBADMM O=S(=O)(NC[C@@H](CO)Cc1ccco1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489378 607906438 /nfs/dbraw/zinc/90/64/38/607906438.db2.gz NVNNDRSKZCTBFF-JTQLQIEISA-N -1 1 364.387 -0.016 20 0 FBADMM O=S(=O)(NC[C@H](CO)Cc1ccco1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489379 607906430 /nfs/dbraw/zinc/90/64/30/607906430.db2.gz NVNNDRSKZCTBFF-SNVBAGLBSA-N -1 1 364.387 -0.016 20 0 FBADMM O=S(=O)(NC[C@H](CO)Cc1ccco1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489379 607906429 /nfs/dbraw/zinc/90/64/29/607906429.db2.gz NVNNDRSKZCTBFF-SNVBAGLBSA-N -1 1 364.387 -0.016 20 0 FBADMM O=S(=O)(NC[C@H](O)COCC1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489524 607631527 /nfs/dbraw/zinc/63/15/27/607631527.db2.gz SIWIRHPWMMCJGH-JTQLQIEISA-N -1 1 354.392 -0.673 20 0 FBADMM O=S(=O)(NC[C@H](O)COCC1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489524 607631526 /nfs/dbraw/zinc/63/15/26/607631526.db2.gz SIWIRHPWMMCJGH-JTQLQIEISA-N -1 1 354.392 -0.673 20 0 FBADMM O=S(=O)(NC[C@@H](O)COCC1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489525 607631558 /nfs/dbraw/zinc/63/15/58/607631558.db2.gz SIWIRHPWMMCJGH-SNVBAGLBSA-N -1 1 354.392 -0.673 20 0 FBADMM O=S(=O)(NC[C@@H](O)COCC1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489525 607631557 /nfs/dbraw/zinc/63/15/57/607631557.db2.gz SIWIRHPWMMCJGH-SNVBAGLBSA-N -1 1 354.392 -0.673 20 0 FBADMM O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489568 607615900 /nfs/dbraw/zinc/61/59/00/607615900.db2.gz UNBZEYVHOHULOD-SECBINFHSA-N -1 1 364.366 -0.109 20 0 FBADMM O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489569 607616196 /nfs/dbraw/zinc/61/61/96/607616196.db2.gz UNBZEYVHOHULOD-VIFPVBQESA-N -1 1 364.366 -0.109 20 0 FBADMM O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489653 607616214 /nfs/dbraw/zinc/61/62/14/607616214.db2.gz WOIBJJZDTIIKKJ-MRVPVSSYSA-N -1 1 364.366 -0.109 20 0 FBADMM O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489653 607616212 /nfs/dbraw/zinc/61/62/12/607616212.db2.gz WOIBJJZDTIIKKJ-MRVPVSSYSA-N -1 1 364.366 -0.109 20 0 FBADMM O=S(=O)(N[C@H]1CCc2ncnn2C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489654 607616078 /nfs/dbraw/zinc/61/60/78/607616078.db2.gz WOIBJJZDTIIKKJ-QMMMGPOBSA-N -1 1 364.366 -0.109 20 0 FBADMM O=S(=O)(N[C@H]1CCc2ncnn2C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489654 607616077 /nfs/dbraw/zinc/61/60/77/607616077.db2.gz WOIBJJZDTIIKKJ-QMMMGPOBSA-N -1 1 364.366 -0.109 20 0 FBADMM O=S(=O)(NC[C@@H](O)C1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489766 607640222 /nfs/dbraw/zinc/64/02/22/607640222.db2.gz YYVVYUYPULFENA-GFCCVEGCSA-N -1 1 354.392 -0.673 20 0 FBADMM O=S(=O)(NC[C@@H](O)C1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489766 607640219 /nfs/dbraw/zinc/64/02/19/607640219.db2.gz YYVVYUYPULFENA-GFCCVEGCSA-N -1 1 354.392 -0.673 20 0 FBADMM O=S(=O)(NC[C@H](O)C1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489767 607640384 /nfs/dbraw/zinc/64/03/84/607640384.db2.gz YYVVYUYPULFENA-LBPRGKRZSA-N -1 1 354.392 -0.673 20 0 FBADMM O=S(=O)(NC[C@H](O)C1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489767 607640382 /nfs/dbraw/zinc/64/03/82/607640382.db2.gz YYVVYUYPULFENA-LBPRGKRZSA-N -1 1 354.392 -0.673 20 0 FBADMM O=S(=O)(NC[C@]1(O)CCOC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489848 607853941 /nfs/dbraw/zinc/85/39/41/607853941.db2.gz BMPXPXSBEVQERK-GFCCVEGCSA-N -1 1 359.795 -0.050 20 0 FBADMM O=S(=O)(NC[C@]1(O)CCOC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489848 607853940 /nfs/dbraw/zinc/85/39/40/607853940.db2.gz BMPXPXSBEVQERK-GFCCVEGCSA-N -1 1 359.795 -0.050 20 0 FBADMM O=S(=O)(NC[C@@]1(O)CCOC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489849 607853944 /nfs/dbraw/zinc/85/39/44/607853944.db2.gz BMPXPXSBEVQERK-LBPRGKRZSA-N -1 1 359.795 -0.050 20 0 FBADMM O=S(=O)(NC[C@@]1(O)CCOC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489849 607853943 /nfs/dbraw/zinc/85/39/43/607853943.db2.gz BMPXPXSBEVQERK-LBPRGKRZSA-N -1 1 359.795 -0.050 20 0 FBADMM O=S(=O)(NC[C@@]1(CCO)CCOC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826490029 608423023 /nfs/dbraw/zinc/42/30/23/608423023.db2.gz HYDMVZHWVCWZSH-CYBMUJFWSA-N -1 1 354.392 -0.671 20 0 FBADMM O=S(=O)(NC[C@@]1(CCO)CCOC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826490029 608423022 /nfs/dbraw/zinc/42/30/22/608423022.db2.gz HYDMVZHWVCWZSH-CYBMUJFWSA-N -1 1 354.392 -0.671 20 0 FBADMM O=S(=O)(NC[C@]1(CCO)CCOC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826490030 608423087 /nfs/dbraw/zinc/42/30/87/608423087.db2.gz HYDMVZHWVCWZSH-ZDUSSCGKSA-N -1 1 354.392 -0.671 20 0 FBADMM O=S(=O)(NC[C@]1(CCO)CCOC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826490030 608423085 /nfs/dbraw/zinc/42/30/85/608423085.db2.gz HYDMVZHWVCWZSH-ZDUSSCGKSA-N -1 1 354.392 -0.671 20 0 FBADMM O=S(=O)(NCC1(CO)CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826490135 607680830 /nfs/dbraw/zinc/68/08/30/607680830.db2.gz KUDGAZSITYXIMC-UHFFFAOYSA-N -1 1 354.392 -0.671 20 0 FBADMM O=S(=O)(NCC1(CO)CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826490135 607680828 /nfs/dbraw/zinc/68/08/28/607680828.db2.gz KUDGAZSITYXIMC-UHFFFAOYSA-N -1 1 354.392 -0.671 20 0 FBADMM O=S(=O)(NCC1(O)CCOCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490205 607630186 /nfs/dbraw/zinc/63/01/86/607630186.db2.gz MWXAIPJZPVNJJH-UHFFFAOYSA-N -1 1 357.367 -0.174 20 0 FBADMM O=S(=O)(NCC1(O)CCOCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490205 607630184 /nfs/dbraw/zinc/63/01/84/607630184.db2.gz MWXAIPJZPVNJJH-UHFFFAOYSA-N -1 1 357.367 -0.174 20 0 FBADMM O=S(=O)(NCC1(O)CCOCC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490282 607630235 /nfs/dbraw/zinc/63/02/35/607630235.db2.gz OZPADLUNVQEWFR-UHFFFAOYSA-N -1 1 357.367 -0.174 20 0 FBADMM O=S(=O)(NCC1(CO)COC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826490442 607678894 /nfs/dbraw/zinc/67/88/94/607678894.db2.gz VOIVLVYMSUGXOB-UHFFFAOYSA-N -1 1 359.795 -0.193 20 0 FBADMM O=S(=O)(NCC1(CO)COC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490442 607678892 /nfs/dbraw/zinc/67/88/92/607678892.db2.gz VOIVLVYMSUGXOB-UHFFFAOYSA-N -1 1 359.795 -0.193 20 0 FBADMM O=S(=O)(NC[C@H]1CCCCS1(=O)=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826490493 609610258 /nfs/dbraw/zinc/61/02/58/609610258.db2.gz XFQXNIKFNKFDMB-SECBINFHSA-N -1 1 372.432 -0.493 20 0 FBADMM O=S(=O)(NC[C@H]1CCCCS1(=O)=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826490493 609610256 /nfs/dbraw/zinc/61/02/56/609610256.db2.gz XFQXNIKFNKFDMB-SECBINFHSA-N -1 1 372.432 -0.493 20 0 FBADMM O=S(=O)(NC[C@@H]1CCCCS1(=O)=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826490494 609610525 /nfs/dbraw/zinc/61/05/25/609610525.db2.gz XFQXNIKFNKFDMB-VIFPVBQESA-N -1 1 372.432 -0.493 20 0 FBADMM O=S(=O)(NC[C@@H]1CCCCS1(=O)=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826490494 609610523 /nfs/dbraw/zinc/61/05/23/609610523.db2.gz XFQXNIKFNKFDMB-VIFPVBQESA-N -1 1 372.432 -0.493 20 0 FBADMM O=S(=O)(NCCCn1cncn1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490623 607587633 /nfs/dbraw/zinc/58/76/33/607587633.db2.gz BMRQJVFRVZJMQK-UHFFFAOYSA-N -1 1 352.355 -0.034 20 0 FBADMM O=S(=O)(NC[C@@H]1CN2CCN1CC2)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490637 607680749 /nfs/dbraw/zinc/68/07/49/607680749.db2.gz BUUUUFUPXDHPBM-LLVKDONJSA-N -1 1 367.410 -0.716 20 0 FBADMM O=S(=O)(NC[C@H]1CN2CCN1CC2)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490638 607680602 /nfs/dbraw/zinc/68/06/02/607680602.db2.gz BUUUUFUPXDHPBM-NSHDSACASA-N -1 1 367.410 -0.716 20 0 FBADMM O=S(=O)(NCCCn1cncn1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490679 607587778 /nfs/dbraw/zinc/58/77/78/607587778.db2.gz DCCCULLGMXWVSE-UHFFFAOYSA-N -1 1 352.355 -0.034 20 0 FBADMM O=S(=O)(NCCCn1cncn1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490679 607587777 /nfs/dbraw/zinc/58/77/77/607587777.db2.gz DCCCULLGMXWVSE-UHFFFAOYSA-N -1 1 352.355 -0.034 20 0 FBADMM O=S(=O)(NCCN1CCOCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490762 607574155 /nfs/dbraw/zinc/57/41/55/607574155.db2.gz GTRISXUQGTVUHG-UHFFFAOYSA-N -1 1 356.383 -0.384 20 0 FBADMM O=S(=O)(NCCN1CCOCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490762 607574153 /nfs/dbraw/zinc/57/41/53/607574153.db2.gz GTRISXUQGTVUHG-UHFFFAOYSA-N -1 1 356.383 -0.384 20 0 FBADMM O=S(=O)(NC[C@H]1CN2CCN1CC2)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490866 607680924 /nfs/dbraw/zinc/68/09/24/607680924.db2.gz KGQJSIOMQCIHEY-JTQLQIEISA-N -1 1 367.410 -0.716 20 0 FBADMM O=S(=O)(NC[C@H]1CN2CCN1CC2)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490866 607680922 /nfs/dbraw/zinc/68/09/22/607680922.db2.gz KGQJSIOMQCIHEY-JTQLQIEISA-N -1 1 367.410 -0.716 20 0 FBADMM O=S(=O)(NC[C@@H]1CN2CCN1CC2)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490867 607680577 /nfs/dbraw/zinc/68/05/77/607680577.db2.gz KGQJSIOMQCIHEY-SNVBAGLBSA-N -1 1 367.410 -0.716 20 0 FBADMM O=S(=O)(NC[C@@H]1CN2CCN1CC2)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490867 607680576 /nfs/dbraw/zinc/68/05/76/607680576.db2.gz KGQJSIOMQCIHEY-SNVBAGLBSA-N -1 1 367.410 -0.716 20 0 FBADMM O=S(=O)(NCCCn1ccnn1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491098 608125457 /nfs/dbraw/zinc/12/54/57/608125457.db2.gz TXGGQJODZTXEBI-UHFFFAOYSA-N -1 1 352.355 -0.034 20 0 FBADMM O=S(=O)(NCC[C@@H](O)C(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000826491126 607639095 /nfs/dbraw/zinc/63/90/95/607639095.db2.gz USDOWIQNPOADRV-MRVPVSSYSA-N -1 1 352.298 -0.147 20 0 FBADMM O=S(=O)(NCC[C@@H](O)C(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826491126 607639093 /nfs/dbraw/zinc/63/90/93/607639093.db2.gz USDOWIQNPOADRV-MRVPVSSYSA-N -1 1 352.298 -0.147 20 0 FBADMM O=S(=O)(NCC[C@H](O)C(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000826491127 607639309 /nfs/dbraw/zinc/63/93/09/607639309.db2.gz USDOWIQNPOADRV-QMMMGPOBSA-N -1 1 352.298 -0.147 20 0 FBADMM O=S(=O)(NCC[C@H](O)C(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826491127 607639307 /nfs/dbraw/zinc/63/93/07/607639307.db2.gz USDOWIQNPOADRV-QMMMGPOBSA-N -1 1 352.298 -0.147 20 0 FBADMM O=S(=O)(NCCN1CCOCC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491156 607574205 /nfs/dbraw/zinc/57/42/05/607574205.db2.gz WIHXCXAGNYAJRI-UHFFFAOYSA-N -1 1 356.383 -0.384 20 0 FBADMM O=S(=O)(NCCn1ncnn1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826492154 607672920 /nfs/dbraw/zinc/67/29/20/607672920.db2.gz VVIITSQVBPQHRT-UHFFFAOYSA-N -1 1 355.771 -0.515 20 0 FBADMM O=S(=O)(NCCn1ncnn1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826492154 607672919 /nfs/dbraw/zinc/67/29/19/607672919.db2.gz VVIITSQVBPQHRT-UHFFFAOYSA-N -1 1 355.771 -0.515 20 0 FBADMM O=S(=O)(NCc1nnnn1C1CC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826492471 607654994 /nfs/dbraw/zinc/65/49/94/607654994.db2.gz MNFOELAHJNRKQR-UHFFFAOYSA-N -1 1 365.354 -0.194 20 0 FBADMM O=S(=O)(NCc1nnnn1C1CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826492631 607655819 /nfs/dbraw/zinc/65/58/19/607655819.db2.gz VMLBHRBKOKFLSG-UHFFFAOYSA-N -1 1 365.354 -0.194 20 0 FBADMM O=S(=O)(NCc1nnnn1C1CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826492631 607655818 /nfs/dbraw/zinc/65/58/18/607655818.db2.gz VMLBHRBKOKFLSG-UHFFFAOYSA-N -1 1 365.354 -0.194 20 0 FBADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCO[C@@H](CO)C1 ZINC000826494441 607666709 /nfs/dbraw/zinc/66/67/09/607666709.db2.gz BYRRQXZJXPGEDN-SECBINFHSA-N -1 1 359.795 -0.098 20 0 FBADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCO[C@H](CO)C1 ZINC000826494442 607666999 /nfs/dbraw/zinc/66/69/99/607666999.db2.gz BYRRQXZJXPGEDN-VIFPVBQESA-N -1 1 359.795 -0.098 20 0 FBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN([C@@H]2CCOC2)CC1 ZINC000826494448 608302990 /nfs/dbraw/zinc/30/29/90/608302990.db2.gz CPRZAQDSNWIZJT-LLVKDONJSA-N -1 1 365.419 -0.643 20 0 FBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN([C@@H]2CCOC2)CC1 ZINC000826494448 608302988 /nfs/dbraw/zinc/30/29/88/608302988.db2.gz CPRZAQDSNWIZJT-LLVKDONJSA-N -1 1 365.419 -0.643 20 0 FBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN([C@H]2CCOC2)CC1 ZINC000826494449 608302841 /nfs/dbraw/zinc/30/28/41/608302841.db2.gz CPRZAQDSNWIZJT-NSHDSACASA-N -1 1 365.419 -0.643 20 0 FBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN([C@H]2CCOC2)CC1 ZINC000826494449 608302840 /nfs/dbraw/zinc/30/28/40/608302840.db2.gz CPRZAQDSNWIZJT-NSHDSACASA-N -1 1 365.419 -0.643 20 0 FBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCC2(C1)OCCO2 ZINC000826494473 608341962 /nfs/dbraw/zinc/34/19/62/608341962.db2.gz DGFKIGNHCMPSNM-UHFFFAOYSA-N -1 1 352.376 -0.211 20 0 FBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCC2(C1)OCCO2 ZINC000826494473 608341961 /nfs/dbraw/zinc/34/19/61/608341961.db2.gz DGFKIGNHCMPSNM-UHFFFAOYSA-N -1 1 352.376 -0.211 20 0 FBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000826494526 607653568 /nfs/dbraw/zinc/65/35/68/607653568.db2.gz GOHSIAWMWXVYQT-JTQLQIEISA-N -1 1 364.309 -0.051 20 0 FBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000826494526 607653567 /nfs/dbraw/zinc/65/35/67/607653567.db2.gz GOHSIAWMWXVYQT-JTQLQIEISA-N -1 1 364.309 -0.051 20 0 FBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000826494527 607653773 /nfs/dbraw/zinc/65/37/73/607653773.db2.gz GOHSIAWMWXVYQT-SNVBAGLBSA-N -1 1 364.309 -0.051 20 0 FBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000826494527 607653772 /nfs/dbraw/zinc/65/37/72/607653772.db2.gz GOHSIAWMWXVYQT-SNVBAGLBSA-N -1 1 364.309 -0.051 20 0 FBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCSC[C@H]1CCO ZINC000826494647 608442465 /nfs/dbraw/zinc/44/24/65/608442465.db2.gz KNFAGJQFCXWJSR-SECBINFHSA-N -1 1 356.433 -0.250 20 0 FBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCSC[C@H]1CCO ZINC000826494647 608442463 /nfs/dbraw/zinc/44/24/63/608442463.db2.gz KNFAGJQFCXWJSR-SECBINFHSA-N -1 1 356.433 -0.250 20 0 FBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCSC[C@@H]1CCO ZINC000826494648 608442506 /nfs/dbraw/zinc/44/25/06/608442506.db2.gz KNFAGJQFCXWJSR-VIFPVBQESA-N -1 1 356.433 -0.250 20 0 FBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCSC[C@@H]1CCO ZINC000826494648 608442504 /nfs/dbraw/zinc/44/25/04/608442504.db2.gz KNFAGJQFCXWJSR-VIFPVBQESA-N -1 1 356.433 -0.250 20 0 FBADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N(CCO)CCCO ZINC000826494684 607634618 /nfs/dbraw/zinc/63/46/18/607634618.db2.gz LPNGIWDABFNCBP-UHFFFAOYSA-N -1 1 361.811 -0.115 20 0 FBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC(OCCCO)CC1 ZINC000826494779 607669998 /nfs/dbraw/zinc/66/99/98/607669998.db2.gz OUMDZMYOTCXMKC-UHFFFAOYSA-N -1 1 368.419 -0.186 20 0 FBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC(OCCCO)CC1 ZINC000826494779 607669996 /nfs/dbraw/zinc/66/99/96/607669996.db2.gz OUMDZMYOTCXMKC-UHFFFAOYSA-N -1 1 368.419 -0.186 20 0 FBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(CCO)Cc1cccnc1 ZINC000826494785 607633365 /nfs/dbraw/zinc/63/33/65/607633365.db2.gz PBFTYLUYDLAEQM-UHFFFAOYSA-N -1 1 361.387 -0.160 20 0 FBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(CCO)Cc1cccnc1 ZINC000826494785 607633364 /nfs/dbraw/zinc/63/33/64/607633364.db2.gz PBFTYLUYDLAEQM-UHFFFAOYSA-N -1 1 361.387 -0.160 20 0 FBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC(n2ccnn2)CC1 ZINC000826494871 609330114 /nfs/dbraw/zinc/33/01/14/609330114.db2.gz SRJHRVUDMIOZCJ-UHFFFAOYSA-N -1 1 361.391 -0.121 20 0 FBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC(n2ccnn2)CC1 ZINC000826494871 609330112 /nfs/dbraw/zinc/33/01/12/609330112.db2.gz SRJHRVUDMIOZCJ-UHFFFAOYSA-N -1 1 361.391 -0.121 20 0 FBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H](OCCO)C1 ZINC000826494888 607634629 /nfs/dbraw/zinc/63/46/29/607634629.db2.gz UECUHBDOPPMWKZ-JTQLQIEISA-N -1 1 354.392 -0.576 20 0 FBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H](OCCO)C1 ZINC000826494888 607634627 /nfs/dbraw/zinc/63/46/27/607634627.db2.gz UECUHBDOPPMWKZ-JTQLQIEISA-N -1 1 354.392 -0.576 20 0 FBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](OCCO)C1 ZINC000826494889 607634583 /nfs/dbraw/zinc/63/45/83/607634583.db2.gz UECUHBDOPPMWKZ-SNVBAGLBSA-N -1 1 354.392 -0.576 20 0 FBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](OCCO)C1 ZINC000826494889 607634581 /nfs/dbraw/zinc/63/45/81/607634581.db2.gz UECUHBDOPPMWKZ-SNVBAGLBSA-N -1 1 354.392 -0.576 20 0 FBADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1C[C@H](O)C[C@H](O)C1 ZINC000826495058 607660180 /nfs/dbraw/zinc/66/01/80/607660180.db2.gz AVGKBVGRUZYWDG-OCAPTIKFSA-N -1 1 359.795 -0.364 20 0 FBADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1C[C@H](O)C[C@H](O)C1 ZINC000826495058 607660179 /nfs/dbraw/zinc/66/01/79/607660179.db2.gz AVGKBVGRUZYWDG-OCAPTIKFSA-N -1 1 359.795 -0.364 20 0 FBADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1C[C@H](O)C[C@H](O)C1 ZINC000826495091 607660132 /nfs/dbraw/zinc/66/01/32/607660132.db2.gz CDYLHELPXDRFOV-DTORHVGOSA-N -1 1 359.795 -0.364 20 0 FBADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N(CCO)CCCO ZINC000826495627 607634321 /nfs/dbraw/zinc/63/43/21/607634321.db2.gz VHLNWFNZPUBKMP-UHFFFAOYSA-N -1 1 361.811 -0.115 20 0 FBADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N(CCO)CCCO ZINC000826495627 607634319 /nfs/dbraw/zinc/63/43/19/607634319.db2.gz VHLNWFNZPUBKMP-UHFFFAOYSA-N -1 1 361.811 -0.115 20 0 FBADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCN(CCO)CC1 ZINC000826495683 607581681 /nfs/dbraw/zinc/58/16/81/607581681.db2.gz XBWOZADKZHFDHU-UHFFFAOYSA-N -1 1 372.838 -0.181 20 0 FBADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCN(CCO)CC1 ZINC000826495683 607581679 /nfs/dbraw/zinc/58/16/79/607581679.db2.gz XBWOZADKZHFDHU-UHFFFAOYSA-N -1 1 372.838 -0.181 20 0 FBADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCO[C@@H](CO)C1 ZINC000826495684 607666873 /nfs/dbraw/zinc/66/68/73/607666873.db2.gz XCXQUCVQOMRBON-MRVPVSSYSA-N -1 1 359.795 -0.098 20 0 FBADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCO[C@@H](CO)C1 ZINC000826495684 607666871 /nfs/dbraw/zinc/66/68/71/607666871.db2.gz XCXQUCVQOMRBON-MRVPVSSYSA-N -1 1 359.795 -0.098 20 0 FBADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCO[C@H](CO)C1 ZINC000826495685 607666823 /nfs/dbraw/zinc/66/68/23/607666823.db2.gz XCXQUCVQOMRBON-QMMMGPOBSA-N -1 1 359.795 -0.098 20 0 FBADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCO[C@H](CO)C1 ZINC000826495685 607666821 /nfs/dbraw/zinc/66/68/21/607666821.db2.gz XCXQUCVQOMRBON-QMMMGPOBSA-N -1 1 359.795 -0.098 20 0 FBADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCN(CCO)CC1 ZINC000826495689 607581460 /nfs/dbraw/zinc/58/14/60/607581460.db2.gz XMEFHZVOWQIHOT-UHFFFAOYSA-N -1 1 356.383 -0.696 20 0 FBADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCN(CCCO)CC1 ZINC000826496001 608567722 /nfs/dbraw/zinc/56/77/22/608567722.db2.gz IIYSWFQWQKYMPO-UHFFFAOYSA-N -1 1 370.410 -0.306 20 0 FBADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCN(CCCO)CC1 ZINC000826496001 608567720 /nfs/dbraw/zinc/56/77/20/608567720.db2.gz IIYSWFQWQKYMPO-UHFFFAOYSA-N -1 1 370.410 -0.306 20 0 FBADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCN(CCO)CC1 ZINC000826496253 607581280 /nfs/dbraw/zinc/58/12/80/607581280.db2.gz PUEQSAFJNKBUGB-UHFFFAOYSA-N -1 1 356.383 -0.696 20 0 FBADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCN(CCO)CC1 ZINC000826496253 607581278 /nfs/dbraw/zinc/58/12/78/607581278.db2.gz PUEQSAFJNKBUGB-UHFFFAOYSA-N -1 1 356.383 -0.696 20 0 FBADMM O=S(=O)(N[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826496679 607572655 /nfs/dbraw/zinc/57/26/55/607572655.db2.gz FCVILQHRRODKCS-MRVPVSSYSA-N -1 1 361.380 -0.529 20 0 FBADMM O=S(=O)(N[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826496680 607572643 /nfs/dbraw/zinc/57/26/43/607572643.db2.gz FCVILQHRRODKCS-QMMMGPOBSA-N -1 1 361.380 -0.529 20 0 FBADMM O=S1(=O)CC[C@@H](N2CCN(Cc3ccnc(-c4nn[n-]n4)c3)CC2)C1 ZINC000826496690 607482963 /nfs/dbraw/zinc/48/29/63/607482963.db2.gz FMPPQNXCDDXQLV-CYBMUJFWSA-N -1 1 363.447 -0.434 20 0 FBADMM O=S1(=O)CC[C@@H](N2CCN(Cc3ccnc(-c4nnn[n-]4)c3)CC2)C1 ZINC000826496690 607482962 /nfs/dbraw/zinc/48/29/62/607482962.db2.gz FMPPQNXCDDXQLV-CYBMUJFWSA-N -1 1 363.447 -0.434 20 0 FBADMM O=S1(=O)CC[C@H](N2CCN(Cc3ccnc(-c4nn[n-]n4)c3)CC2)C1 ZINC000826496691 607482924 /nfs/dbraw/zinc/48/29/24/607482924.db2.gz FMPPQNXCDDXQLV-ZDUSSCGKSA-N -1 1 363.447 -0.434 20 0 FBADMM O=S1(=O)CC[C@H](N2CCN(Cc3ccnc(-c4nnn[n-]4)c3)CC2)C1 ZINC000826496691 607482923 /nfs/dbraw/zinc/48/29/23/607482923.db2.gz FMPPQNXCDDXQLV-ZDUSSCGKSA-N -1 1 363.447 -0.434 20 0 FBADMM O=S(=O)(NCC1CCS(=O)(=O)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826496791 607907952 /nfs/dbraw/zinc/90/79/52/607907952.db2.gz JSOZJWZEUDQMHJ-UHFFFAOYSA-N -1 1 372.432 -0.635 20 0 FBADMM O=S(=O)(NCC1CCS(=O)(=O)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826496791 607907951 /nfs/dbraw/zinc/90/79/51/607907951.db2.gz JSOZJWZEUDQMHJ-UHFFFAOYSA-N -1 1 372.432 -0.635 20 0 FBADMM O=S(=O)(N[C@@H]1CCS(=O)(=O)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826496880 607572726 /nfs/dbraw/zinc/57/27/26/607572726.db2.gz MNONHBOUZLXWQY-SSDOTTSWSA-N -1 1 361.380 -0.529 20 0 FBADMM O=S(=O)(N[C@@H]1CCS(=O)(=O)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826496880 607572725 /nfs/dbraw/zinc/57/27/25/607572725.db2.gz MNONHBOUZLXWQY-SSDOTTSWSA-N -1 1 361.380 -0.529 20 0 FBADMM O=S(=O)(N[C@H]1CCS(=O)(=O)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826496881 607572683 /nfs/dbraw/zinc/57/26/83/607572683.db2.gz MNONHBOUZLXWQY-ZETCQYMHSA-N -1 1 361.380 -0.529 20 0 FBADMM O=S(=O)(N[C@H]1CCS(=O)(=O)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826496881 607572682 /nfs/dbraw/zinc/57/26/82/607572682.db2.gz MNONHBOUZLXWQY-ZETCQYMHSA-N -1 1 361.380 -0.529 20 0 FBADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCS(=O)(=O)CC1 ZINC000826496980 607607823 /nfs/dbraw/zinc/60/78/23/607607823.db2.gz QCXGUNJJOBCISV-UHFFFAOYSA-N -1 1 361.380 -0.575 20 0 FBADMM O=S1(=O)CC[C@@H](N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)C1 ZINC000826497050 608505188 /nfs/dbraw/zinc/50/51/88/608505188.db2.gz SJMWKDPGYUNWRO-LLVKDONJSA-N -1 1 352.420 -0.236 20 0 FBADMM O=S1(=O)CC[C@@H](N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)C1 ZINC000826497050 608505187 /nfs/dbraw/zinc/50/51/87/608505187.db2.gz SJMWKDPGYUNWRO-LLVKDONJSA-N -1 1 352.420 -0.236 20 0 FBADMM O=S1(=O)CC[C@H](N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)C1 ZINC000826497051 608505528 /nfs/dbraw/zinc/50/55/28/608505528.db2.gz SJMWKDPGYUNWRO-NSHDSACASA-N -1 1 352.420 -0.236 20 0 FBADMM O=S1(=O)CC[C@H](N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)C1 ZINC000826497051 608505527 /nfs/dbraw/zinc/50/55/27/608505527.db2.gz SJMWKDPGYUNWRO-NSHDSACASA-N -1 1 352.420 -0.236 20 0 FBADMM 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FBADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCS(=O)(=O)c1ccccc1 ZINC000912535189 660087829 /nfs/dbraw/zinc/08/78/29/660087829.db2.gz SVCMNZSBXCHJOV-UHFFFAOYSA-N -1 1 373.412 -0.052 20 0 FBADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCc1cccc(C(N)=O)c1 ZINC000912538201 660087811 /nfs/dbraw/zinc/08/78/11/660087811.db2.gz OZCPFGPULJJZTL-UHFFFAOYSA-N -1 1 352.372 -0.184 20 0 FBADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCC(=O)Nc1cccnc1 ZINC000912538443 660087919 /nfs/dbraw/zinc/08/79/19/660087919.db2.gz SJQSMCSFOWJYNF-UHFFFAOYSA-N -1 1 353.360 -0.102 20 0 FBADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC(=O)NCCc1ccccc1 ZINC000912539133 660087795 /nfs/dbraw/zinc/08/77/95/660087795.db2.gz ZKDCLDALXFSUDV-UHFFFAOYSA-N -1 1 366.399 -0.167 20 0 FBADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000912541076 660087897 /nfs/dbraw/zinc/08/78/97/660087897.db2.gz DJOVQNDRRMUHEM-JTQLQIEISA-N -1 1 368.419 -0.123 20 0 FBADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000912541078 660087880 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ZINC000912544652 660088250 /nfs/dbraw/zinc/08/82/50/660088250.db2.gz RAWYKNXYQDTBRI-NSHDSACASA-N -1 1 369.403 -0.259 20 0 FBADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000912546070 660087159 /nfs/dbraw/zinc/08/71/59/660087159.db2.gz ZTFVUTNLVBIQQM-JTQLQIEISA-N -1 1 368.375 -0.986 20 0 FBADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000912546071 660087198 /nfs/dbraw/zinc/08/71/98/660087198.db2.gz ZTFVUTNLVBIQQM-SNVBAGLBSA-N -1 1 368.375 -0.986 20 0 FBADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCC(=O)NCc1ccccn1 ZINC000912546411 660087135 /nfs/dbraw/zinc/08/71/35/660087135.db2.gz FZCJZOJGOSDXFO-UHFFFAOYSA-N -1 1 367.387 -0.424 20 0 FBADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCNC(=O)c1cccs1 ZINC000912546740 660087124 /nfs/dbraw/zinc/08/71/24/660087124.db2.gz HDQFGGJDFRMHDM-UHFFFAOYSA-N -1 1 358.401 -0.034 20 0 FBADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C(N)=O)c1ccc(F)cc1 ZINC000912547210 660087328 /nfs/dbraw/zinc/08/73/28/660087328.db2.gz 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COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@](C)(O)C(=O)OC(C)(C)C ZINC000912548569 660087405 /nfs/dbraw/zinc/08/74/05/660087405.db2.gz WBJRTOROVMWCDL-CYBMUJFWSA-N -1 1 363.392 -0.433 20 0 FBADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@](C)(O)C(=O)OC(C)(C)C ZINC000912548570 660087397 /nfs/dbraw/zinc/08/73/97/660087397.db2.gz WBJRTOROVMWCDL-ZDUSSCGKSA-N -1 1 363.392 -0.433 20 0 FBADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1CCCCS1(=O)=O ZINC000912548623 660087444 /nfs/dbraw/zinc/08/74/44/660087444.db2.gz XWUUCHWJAREHKU-MRVPVSSYSA-N -1 1 351.406 -0.558 20 0 FBADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H]1CCCCS1(=O)=O ZINC000912548624 660087430 /nfs/dbraw/zinc/08/74/30/660087430.db2.gz XWUUCHWJAREHKU-QMMMGPOBSA-N -1 1 351.406 -0.558 20 0 FBADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C1(C(=O)OC)CCSCC1 ZINC000912548946 660087854 /nfs/dbraw/zinc/08/78/54/660087854.db2.gz ZCYGXKXLVTXNMB-UHFFFAOYSA-N -1 1 363.417 -0.087 20 0 FBADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C1CCN(c2cccnn2)CC1 ZINC000912549953 660088413 /nfs/dbraw/zinc/08/84/13/660088413.db2.gz IYCHXOMRFOSQSL-UHFFFAOYSA-N -1 1 366.403 -0.066 20 0 FBADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C1CCN(c2ncccn2)CC1 ZINC000912553096 660088623 /nfs/dbraw/zinc/08/86/23/660088623.db2.gz IDPJKZGEEDMSGI-UHFFFAOYSA-N -1 1 366.403 -0.066 20 0 FBADMM CCOC(=O)c1cn(CC[N-]S(=O)(=O)c2n[nH]cc2C(=O)OC)cn1 ZINC000912553283 660088521 /nfs/dbraw/zinc/08/85/21/660088521.db2.gz OITLSBHBZCDZKQ-UHFFFAOYSA-N -1 1 371.375 -0.452 20 0 FBADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](Cc1ccncc1)C(=O)OC ZINC000912554042 660088904 /nfs/dbraw/zinc/08/89/04/660088904.db2.gz UHODPEMGFXSDAU-LLVKDONJSA-N -1 1 368.371 -0.346 20 0 FBADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](Cc1ccncc1)C(=O)OC ZINC000912554043 660088885 /nfs/dbraw/zinc/08/88/85/660088885.db2.gz UHODPEMGFXSDAU-NSHDSACASA-N -1 1 368.371 -0.346 20 0 FBADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCCNc1cc(OC)ncn1 ZINC000912554357 660088729 /nfs/dbraw/zinc/08/87/29/660088729.db2.gz RVIRMQRUDGBDPG-UHFFFAOYSA-N -1 1 370.391 -0.225 20 0 FBADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CS(=O)(=O)C1(C)C ZINC000912555259 660088840 /nfs/dbraw/zinc/08/88/40/660088840.db2.gz BAWXTJTWKPAXBO-QMMMGPOBSA-N -1 1 351.406 -0.560 20 0 FBADMM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CC(=O)N=S(C)(C)=O ZINC000912555266 660088876 /nfs/dbraw/zinc/08/88/76/660088876.db2.gz BGNOOXVUNRINMU-UHFFFAOYSA-N -1 1 352.394 -0.963 20 0 FBADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](CO)Cc1cnn(C)c1 ZINC000912555897 660088917 /nfs/dbraw/zinc/08/89/17/660088917.db2.gz HEGWDNCOVWEJDB-JTQLQIEISA-N -1 1 357.392 -0.798 20 0 FBADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](CO)Cc1cnn(C)c1 ZINC000912555900 660088902 /nfs/dbraw/zinc/08/89/02/660088902.db2.gz HEGWDNCOVWEJDB-SNVBAGLBSA-N -1 1 357.392 -0.798 20 0 FBADMM CCOC(=O)c1n[n-]c([C@H](C)NS(=O)(=O)c2n[nH]cc2C(=O)OC)n1 ZINC000912556168 660088864 /nfs/dbraw/zinc/08/88/64/660088864.db2.gz HSDJYKMXFXKBOA-LURJTMIESA-N -1 1 372.363 -0.469 20 0 FBADMM CCOC(=O)c1n[n-]c([C@@H](C)NS(=O)(=O)c2n[nH]cc2C(=O)OC)n1 ZINC000912556169 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CC[C@@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCN1C(=O)c1ncccc1[O-] ZINC000984921097 659856349 /nfs/dbraw/zinc/85/63/49/659856349.db2.gz JGVBNALKWXSLTB-NWDGAFQWSA-N -1 1 367.427 -0.059 20 0 FBADMM CC[C@@H]1[C@@H](NC(=O)c2cnn[nH]2)CCN1C(=O)[C@H]1CCCS(=O)(=O)C1 ZINC000985102461 659864793 /nfs/dbraw/zinc/86/47/93/659864793.db2.gz CPDVNYNCAMWUJB-GMXVVIOVSA-N -1 1 369.447 -0.261 20 0 FBADMM CC[C@@H]1[C@@H](NC(=O)c2cnn[nH]2)CCN1C(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC000985102463 659864831 /nfs/dbraw/zinc/86/48/31/659864831.db2.gz CPDVNYNCAMWUJB-NTZNESFSSA-N -1 1 369.447 -0.261 20 0 FBADMM CC[C@@H]1[C@@H](NC(=O)c2cnn[nH]2)CCN1C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000985105199 659864575 /nfs/dbraw/zinc/86/45/75/659864575.db2.gz DPZYSLYDCCSNQQ-GMXVVIOVSA-N -1 1 369.447 -0.261 20 0 FBADMM CC[C@@H]1[C@@H](NC(=O)c2cnn[nH]2)CCN1C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000985105200 659864774 /nfs/dbraw/zinc/86/47/74/659864774.db2.gz DPZYSLYDCCSNQQ-NTZNESFSSA-N -1 1 369.447 -0.261 20 0 FBADMM CC[C@@H]1[C@@H](NC(=O)c2cnn[nH]2)CCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000985105682 659864729 /nfs/dbraw/zinc/86/47/29/659864729.db2.gz KVJGXXRTEVTPLM-JBLDHEPKSA-N -1 1 355.420 -0.651 20 0 FBADMM CC[C@@H]1[C@@H](NC(=O)c2cnn[nH]2)CCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000985105683 659864983 /nfs/dbraw/zinc/86/49/83/659864983.db2.gz KVJGXXRTEVTPLM-JFGNBEQYSA-N -1 1 355.420 -0.651 20 0 FBADMM CC[C@@H]1[C@@H](NC(=O)c2cnn[nH]2)CCN1C(=O)C[C@@H]1CCCS1(=O)=O ZINC000985105690 659864940 /nfs/dbraw/zinc/86/49/40/659864940.db2.gz LALVJLZBPVUWOI-GMXVVIOVSA-N -1 1 369.447 -0.119 20 0 FBADMM CC[C@@H]1[C@@H](NC(=O)c2cnn[nH]2)CCN1C(=O)C[C@H]1CCCS1(=O)=O ZINC000985105691 659864812 /nfs/dbraw/zinc/86/48/12/659864812.db2.gz LALVJLZBPVUWOI-NTZNESFSSA-N -1 1 369.447 -0.119 20 0 FBADMM CC[C@@H]1[C@@H](NC(=O)c2cnn[nH]2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC000985106906 659865000 /nfs/dbraw/zinc/86/50/00/659865000.db2.gz ZLRDYUYNELNUIA-CMPLNLGQSA-N -1 1 355.420 -0.651 20 0 FBADMM CC[C@@H]1[C@@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)CCN1C(=O)COC ZINC000985159423 659867815 /nfs/dbraw/zinc/86/78/15/659867815.db2.gz RFTXOQQECSZMMM-DTWKUNHWSA-N -1 1 354.363 -0.348 20 0 FBADMM CC[C@@H]1[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)CCN1C(=O)C(F)F ZINC000985162244 659867521 /nfs/dbraw/zinc/86/75/21/659867521.db2.gz JTWQELKKGNEPOD-IONNQARKSA-N -1 1 354.317 -0.208 20 0 FBADMM CC[C@@H]1[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)CCN1C(=O)CSC ZINC000985163029 659867559 /nfs/dbraw/zinc/86/75/59/659867559.db2.gz QFYVKOLWPYEVJS-GXSJLCMTSA-N -1 1 364.431 -0.110 20 0 FBADMM C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC(N(C)Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC000985437253 659881016 /nfs/dbraw/zinc/88/10/16/659881016.db2.gz JLTVDTYORYOQKC-ZYHUDNBSSA-N -1 1 350.423 -0.152 20 0 FBADMM C[C@@H]1OCCO[C@@H]1C(=O)N1CCC([N@H+](C)Cc2nc(=O)n(C)[n-]2)CC1 ZINC000985477308 659881884 /nfs/dbraw/zinc/88/18/84/659881884.db2.gz ADYWXYYDQNEDFR-FZMZJTMJSA-N -1 1 353.423 -0.665 20 0 FBADMM CN(Cc1n[nH]c(=O)[n-]1)C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 ZINC000985646781 659889190 /nfs/dbraw/zinc/88/91/90/659889190.db2.gz HJEPSUIZBVTJSO-MNOVXSKESA-N -1 1 350.423 -0.165 20 0 FBADMM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(N(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC000985651277 659889638 /nfs/dbraw/zinc/88/96/38/659889638.db2.gz SZKZOLSOSMCYIA-NEPJUHHUSA-N -1 1 350.423 -0.343 20 0 FBADMM CS(=O)(=O)CC(=O)N1C[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]2C1 ZINC000985790877 659894851 /nfs/dbraw/zinc/89/48/51/659894851.db2.gz IYUAJWABITZUNP-NEPJUHHUSA-N -1 1 367.427 -0.248 20 0 FBADMM CS(=O)(=O)CC(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C1 ZINC000985993506 659899961 /nfs/dbraw/zinc/89/99/61/659899961.db2.gz IPPGDVRCOHLQSU-NEPJUHHUSA-N -1 1 367.427 -0.248 20 0 FBADMM C[C@@H]1[C@@H](NC(=O)C(C)(C)F)CCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000987203820 659922033 /nfs/dbraw/zinc/92/20/33/659922033.db2.gz DOQJKCKPLWWVHE-MNOVXSKESA-N -1 1 354.382 -0.220 20 0 FBADMM C[C@@H]1[C@@H](NC(=O)C(C)(C)F)CCN1C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000987205200 659922051 /nfs/dbraw/zinc/92/20/51/659922051.db2.gz PDMNKSJSFNDPBT-BDAKNGLRSA-N -1 1 350.354 -0.115 20 0 FBADMM C[C@@H]1[C@@H](NC(=O)C(C)(F)F)CCN1C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000987205385 659922013 /nfs/dbraw/zinc/92/20/13/659922013.db2.gz JWASHRRGCNCYJX-SFYZADRCSA-N -1 1 354.317 -0.208 20 0 FBADMM C[C@@H]1[C@@H](NC(=O)C(C)(F)F)CCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000987207399 659922058 /nfs/dbraw/zinc/92/20/58/659922058.db2.gz YCHUJKZSBKGNFK-ZJUUUORDSA-N -1 1 358.345 -0.313 20 0 FBADMM C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000987463326 659927591 /nfs/dbraw/zinc/92/75/91/659927591.db2.gz IBRNVAPXZVJAAE-KXUCPTDWSA-N -1 1 350.379 -0.904 20 0 FBADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000987463328 659927573 /nfs/dbraw/zinc/92/75/73/659927573.db2.gz IBRNVAPXZVJAAE-UTLUCORTSA-N -1 1 350.379 -0.904 20 0 FBADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CC1CS(=O)(=O)C1 ZINC000987680146 659931795 /nfs/dbraw/zinc/93/17/95/659931795.db2.gz JNLDFIFMUHVHKT-PWSUYJOCSA-N -1 1 367.427 -0.059 20 0 FBADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000987680686 659931847 /nfs/dbraw/zinc/93/18/47/659931847.db2.gz MJZHCYBTHZBRLC-UTUOFQBUSA-N -1 1 367.427 -0.059 20 0 FBADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000987680687 659931873 /nfs/dbraw/zinc/93/18/73/659931873.db2.gz MJZHCYBTHZBRLC-WOPDTQHZSA-N -1 1 367.427 -0.059 20 0 FBADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000987681339 659931856 /nfs/dbraw/zinc/93/18/56/659931856.db2.gz QQMIGZOSHKDFEQ-OUAUKWLOSA-N -1 1 368.415 -0.802 20 0 FBADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000987681340 659931892 /nfs/dbraw/zinc/93/18/92/659931892.db2.gz QQMIGZOSHKDFEQ-VWYCJHECSA-N -1 1 368.415 -0.802 20 0 FBADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C1CS(=O)(=O)C1 ZINC000987685955 659931595 /nfs/dbraw/zinc/93/15/95/659931595.db2.gz VLAWZGOKMHJTDK-KOLCDFICSA-N -1 1 353.400 -0.449 20 0 FBADMM C[C@H](C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C)S(C)(=O)=O ZINC000987688431 659931623 /nfs/dbraw/zinc/93/16/23/659931623.db2.gz NKHZEHBGRDXYIO-MXWKQRLJSA-N -1 1 355.416 -0.061 20 0 FBADMM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C)S(C)(=O)=O ZINC000987688432 659931586 /nfs/dbraw/zinc/93/15/86/659931586.db2.gz NKHZEHBGRDXYIO-VWYCJHECSA-N -1 1 355.416 -0.061 20 0 FBADMM C[C@@H]1[C@@H](NC(=O)CN2CCCC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000988101180 659937440 /nfs/dbraw/zinc/93/74/40/659937440.db2.gz DJBZKEAAJGKICD-ZJUUUORDSA-N -1 1 350.379 -0.902 20 0 FBADMM C[C@@H]1[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CCN1C(=O)c1ncccc1[O-] ZINC000988146726 659938651 /nfs/dbraw/zinc/93/86/51/659938651.db2.gz SISGCWSRVMXYIO-OUAUKWLOSA-N -1 1 368.415 -0.802 20 0 FBADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CCN1C(=O)c1ncccc1[O-] ZINC000988146727 659938625 /nfs/dbraw/zinc/93/86/25/659938625.db2.gz SISGCWSRVMXYIO-VWYCJHECSA-N -1 1 368.415 -0.802 20 0 FBADMM C[C@@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCN1C(=O)c1ncccc1[O-] ZINC000988204625 659939825 /nfs/dbraw/zinc/93/98/25/659939825.db2.gz BAOXNJKKEXPEEJ-KOLCDFICSA-N -1 1 353.400 -0.449 20 0 FBADMM C[C@@H]1[C@@H](NC(=O)CC2CS(=O)(=O)C2)CCN1C(=O)c1ncccc1[O-] ZINC000988795786 659955641 /nfs/dbraw/zinc/95/56/41/659955641.db2.gz MGUYHMQEEDPYPJ-PWSUYJOCSA-N -1 1 367.427 -0.059 20 0 FBADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)CCN1C(=O)c1ncccc1[O-] ZINC000988915803 659958427 /nfs/dbraw/zinc/95/84/27/659958427.db2.gz WPEHQCIISPMWQN-UTUOFQBUSA-N -1 1 367.427 -0.059 20 0 FBADMM C[C@@H]1[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)CCN1C(=O)c1ncccc1[O-] ZINC000988915804 659958406 /nfs/dbraw/zinc/95/84/06/659958406.db2.gz WPEHQCIISPMWQN-WOPDTQHZSA-N -1 1 367.427 -0.059 20 0 FBADMM CC[C@@H](F)C(=O)N1CC[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@H]1C ZINC000989039627 659960796 /nfs/dbraw/zinc/96/07/96/659960796.db2.gz BGOYMMGLDSXPKR-BBBLOLIVSA-N -1 1 350.354 -0.115 20 0 FBADMM CC[C@H](F)C(=O)N1CC[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@H]1C ZINC000989039629 659960767 /nfs/dbraw/zinc/96/07/67/659960767.db2.gz BGOYMMGLDSXPKR-UTLUCORTSA-N -1 1 350.354 -0.115 20 0 FBADMM CS[C@H](C)C(=O)N1CC[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@H]1C ZINC000989040173 659960858 /nfs/dbraw/zinc/96/08/58/659960858.db2.gz GGUHSIPYRGRUTH-BBBLOLIVSA-N -1 1 364.431 -0.112 20 0 FBADMM CS[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@H]1C ZINC000989040175 659960802 /nfs/dbraw/zinc/96/08/02/659960802.db2.gz GGUHSIPYRGRUTH-UTLUCORTSA-N -1 1 364.431 -0.112 20 0 FBADMM C[C@@H]1[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)CCN1C(=O)C(C)(F)F ZINC000989040189 659960840 /nfs/dbraw/zinc/96/08/40/659960840.db2.gz GWOBNEYTERBALD-SFYZADRCSA-N -1 1 354.317 -0.208 20 0 FBADMM CSCC(=O)N1CC[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@H]1C 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/nfs/dbraw/zinc/04/09/35/838040935.db2.gz BOBHLDFZHJSURM-PSASIEDQSA-N -1 1 367.797 -0.117 20 0 FBADMM CCc1nnsc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001080068977 838044214 /nfs/dbraw/zinc/04/42/14/838044214.db2.gz SFZOVBCHUDXGKC-PSASIEDQSA-N -1 1 351.436 -0.227 20 0 FBADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1cc(Cl)n(C)n1 ZINC001080090992 838047599 /nfs/dbraw/zinc/04/75/99/838047599.db2.gz JKQRIAWVRHSOKW-PSASIEDQSA-N -1 1 353.814 -0.254 20 0 FBADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C[C@@H]1CCCC(=O)N1 ZINC001080092396 838047900 /nfs/dbraw/zinc/04/79/00/838047900.db2.gz QRSVJYLRRDLZJZ-GRYCIOLGSA-N -1 1 350.423 -0.896 20 0 FBADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C[C@H]1CCCC(=O)N1 ZINC001080092397 838047615 /nfs/dbraw/zinc/04/76/15/838047615.db2.gz QRSVJYLRRDLZJZ-IJLUTSLNSA-N -1 1 350.423 -0.896 20 0 FBADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1cnc(Cl)n1C ZINC001080130183 838049786 /nfs/dbraw/zinc/04/97/86/838049786.db2.gz DBXUXMPAERUVGY-RKDXNWHRSA-N -1 1 353.814 -0.254 20 0 FBADMM CCOc1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C)on1 ZINC001080145958 838049284 /nfs/dbraw/zinc/04/92/84/838049284.db2.gz PWENRBNIKSHXMT-NXEZZACHSA-N -1 1 350.379 -0.255 20 0 FBADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C[C@@H]1CCCS1(=O)=O ZINC001080197872 838051942 /nfs/dbraw/zinc/05/19/42/838051942.db2.gz QAGJPGHFJYWHBA-GRYCIOLGSA-N -1 1 371.463 -0.988 20 0 FBADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C[C@H]1CCCS1(=O)=O ZINC001080197873 838051904 /nfs/dbraw/zinc/05/19/04/838051904.db2.gz QAGJPGHFJYWHBA-IJLUTSLNSA-N -1 1 371.463 -0.988 20 0 FBADMM C[C@H](C(=O)N(C)C)N1C[C@@H](C)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001080248600 838056297 /nfs/dbraw/zinc/05/62/97/838056297.db2.gz ACJQHOQQEOTCPS-CKYFFXLPSA-N -1 1 351.407 -0.987 20 0 FBADMM C[C@@H](C(=O)N(C)C)N1C[C@@H](C)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001080248601 838055509 /nfs/dbraw/zinc/05/55/09/838055509.db2.gz ACJQHOQQEOTCPS-JFGNBEQYSA-N -1 1 351.407 -0.987 20 0 FBADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C[C@@H]1CCC(=O)N1C ZINC001080250975 838055908 /nfs/dbraw/zinc/05/59/08/838055908.db2.gz PKWSQNVPCPZIAY-GRYCIOLGSA-N -1 1 350.423 -0.944 20 0 FBADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C[C@H]1CCC(=O)N1C ZINC001080250976 838056692 /nfs/dbraw/zinc/05/66/92/838056692.db2.gz PKWSQNVPCPZIAY-IJLUTSLNSA-N -1 1 350.423 -0.944 20 0 FBADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H]1CCCCC(=O)N1 ZINC001080424179 838068658 /nfs/dbraw/zinc/06/86/58/838068658.db2.gz DXHRVAPEGFWPQZ-GRYCIOLGSA-N -1 1 350.423 -0.896 20 0 FBADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1CCCCC(=O)N1 ZINC001080424180 838068527 /nfs/dbraw/zinc/06/85/27/838068527.db2.gz DXHRVAPEGFWPQZ-IJLUTSLNSA-N -1 1 350.423 -0.896 20 0 FBADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)Cc1cn(C)nc1Cl ZINC001080440404 838071527 /nfs/dbraw/zinc/07/15/27/838071527.db2.gz UVSQTRGJLRIDHO-MWLCHTKSSA-N -1 1 367.841 -0.326 20 0 FBADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)Cn1cc(Cl)cn1 ZINC001080530426 838076351 /nfs/dbraw/zinc/07/63/51/838076351.db2.gz BORKPBSMIMXSMU-MWLCHTKSSA-N -1 1 353.814 -0.405 20 0 FBADMM COCc1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C)no1 ZINC001080572650 838082704 /nfs/dbraw/zinc/08/27/04/838082704.db2.gz LWSQNCIIIXBMAG-BXKDBHETSA-N -1 1 350.379 -0.507 20 0 FBADMM COCc1ncsc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001080582390 838083636 /nfs/dbraw/zinc/08/36/36/838083636.db2.gz GJNXROLTDALUGC-NXEZZACHSA-N -1 1 366.447 -0.038 20 0 FBADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@]1(C)CCCS1(=O)=O ZINC001080592006 838084475 /nfs/dbraw/zinc/08/44/75/838084475.db2.gz NJJRSAPOIUMVPL-HFAKWTLXSA-N -1 1 371.463 -0.988 20 0 FBADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001080592007 838083232 /nfs/dbraw/zinc/08/32/32/838083232.db2.gz NJJRSAPOIUMVPL-UEKVPHQBSA-N -1 1 371.463 -0.988 20 0 FBADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1ccc(C(N)=O)s1 ZINC001080613865 838084814 /nfs/dbraw/zinc/08/48/14/838084814.db2.gz PTXIZZJUZHOKQH-RKDXNWHRSA-N -1 1 364.431 -0.481 20 0 FBADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1cnn(C(F)F)c1 ZINC001080674367 838089846 /nfs/dbraw/zinc/08/98/46/838089846.db2.gz CWRDDWBFTLXBDU-PSASIEDQSA-N -1 1 355.349 -0.050 20 0 FBADMM COCc1nc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C)co1 ZINC001080689193 838091755 /nfs/dbraw/zinc/09/17/55/838091755.db2.gz QKAIPMHWOLGHSK-NXEZZACHSA-N -1 1 350.379 -0.507 20 0 FBADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1cn(C)nc1Cl ZINC001080761557 838097221 /nfs/dbraw/zinc/09/72/21/838097221.db2.gz SWESHZVYVDWDOR-PSASIEDQSA-N -1 1 353.814 -0.254 20 0 FBADMM COCc1nocc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001080764266 838098341 /nfs/dbraw/zinc/09/83/41/838098341.db2.gz KWDRYGMJZBGWCF-MWLCHTKSSA-N -1 1 350.379 -0.507 20 0 FBADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(Cc2cnsn2)C[C@H]1C ZINC001080772630 838099012 /nfs/dbraw/zinc/09/90/12/838099012.db2.gz BOFZRQOMDNAYNU-VXNVDRBHSA-N -1 1 366.403 -0.002 20 0 FBADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(Cc2csnn2)C[C@H]1C ZINC001080773354 838098716 /nfs/dbraw/zinc/09/87/16/838098716.db2.gz OWSZYBFPKZESPV-VXNVDRBHSA-N -1 1 366.403 -0.002 20 0 FBADMM C[C@@H]1CN(Cc2csnn2)C[C@H]1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001080774143 838099405 /nfs/dbraw/zinc/09/94/05/838099405.db2.gz DRXIJSLBJGDFSJ-LDYMZIIASA-N -1 1 360.403 -0.481 20 0 FBADMM C[C@@H]1CN(Cc2cnsn2)C[C@H]1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001080774195 838099064 /nfs/dbraw/zinc/09/90/64/838099064.db2.gz GPMIXRJCFHHOAQ-LDYMZIIASA-N -1 1 360.403 -0.481 20 0 FBADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(Cc2cnon2)C[C@H]1C ZINC001080775507 838100813 /nfs/dbraw/zinc/10/08/13/838100813.db2.gz MGAVZLLSAYICFZ-VXNVDRBHSA-N -1 1 350.335 -0.470 20 0 FBADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(Cc2nncs2)C[C@H]1C ZINC001080775554 838100261 /nfs/dbraw/zinc/10/02/61/838100261.db2.gz OXBBPWGHBAAMDG-HTQZYQBOSA-N -1 1 366.403 -0.002 20 0 FBADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(Cc2cnns2)C[C@H]1C ZINC001080775690 838100401 /nfs/dbraw/zinc/10/04/01/838100401.db2.gz VXCUONHNOJUZEA-VXNVDRBHSA-N -1 1 366.403 -0.002 20 0 FBADMM C[C@@H]1CN(Cc2nncs2)C[C@H]1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001080776569 838100942 /nfs/dbraw/zinc/10/09/42/838100942.db2.gz JFUQCIIWNZINFX-PSASIEDQSA-N -1 1 360.403 -0.481 20 0 FBADMM C[C@@H]1CN(Cc2cnns2)C[C@H]1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001080776605 838100750 /nfs/dbraw/zinc/10/07/50/838100750.db2.gz LGMKNZVNMLYJEX-LDYMZIIASA-N -1 1 360.403 -0.481 20 0 FBADMM CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001080813375 838102157 /nfs/dbraw/zinc/10/21/57/838102157.db2.gz ZWNHYMWTPUXBOY-RTXFEEFZSA-N -1 1 350.423 -0.944 20 0 FBADMM Cc1noc(C)c1CN1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001080852605 838103213 /nfs/dbraw/zinc/10/32/13/838103213.db2.gz MHFRUKIPFPONTR-PRHODGIISA-N -1 1 350.379 -0.069 20 0 FBADMM Cc1nc(C)c(CN2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)o1 ZINC001080853510 838103310 /nfs/dbraw/zinc/10/33/10/838103310.db2.gz ANONQSDJZWCDFE-LDYMZIIASA-N -1 1 350.379 -0.069 20 0 FBADMM C[C@@H]1CN(CCn2cc(Cl)cn2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001080853668 838103999 /nfs/dbraw/zinc/10/39/99/838103999.db2.gz JTPDOYOSNIDCCZ-MWLCHTKSSA-N -1 1 369.813 -0.324 20 0 FBADMM Cc1nc([C@H](C)N2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)n[nH]1 ZINC001080853770 838104242 /nfs/dbraw/zinc/10/42/42/838104242.db2.gz PGOXBJHGZIAVLH-KHQFGBGNSA-N -1 1 350.383 -0.686 20 0 FBADMM Cc1nc([C@@H](C)N2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)n[nH]1 ZINC001080853771 838104457 /nfs/dbraw/zinc/10/44/57/838104457.db2.gz PGOXBJHGZIAVLH-NQMVMOMDSA-N -1 1 350.383 -0.686 20 0 FBADMM Cc1nn(C)c(F)c1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001080863615 838107218 /nfs/dbraw/zinc/10/72/18/838107218.db2.gz VWFBLYSNQJVESI-PSASIEDQSA-N -1 1 351.386 -0.460 20 0 FBADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1CCCC(=O)N1C ZINC001080869398 838108186 /nfs/dbraw/zinc/10/81/86/838108186.db2.gz JVYUPHFWKCRONU-IJLUTSLNSA-N -1 1 350.423 -0.944 20 0 FBADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H]1CCCC(=O)N1C ZINC001080869399 838108364 /nfs/dbraw/zinc/10/83/64/838108364.db2.gz JVYUPHFWKCRONU-UTUOFQBUSA-N -1 1 350.423 -0.944 20 0 FBADMM Cc1csc(=O)n1CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001080926000 838115211 /nfs/dbraw/zinc/11/52/11/838115211.db2.gz VYGKAJUEBQEQFM-MWLCHTKSSA-N -1 1 366.447 -0.723 20 0 FBADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1cc(C(N)=O)cs1 ZINC001081006878 838129219 /nfs/dbraw/zinc/12/92/19/838129219.db2.gz SQRRJUCPDILXPW-PSASIEDQSA-N -1 1 364.431 -0.481 20 0 FBADMM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001081009263 838130627 /nfs/dbraw/zinc/13/06/27/838130627.db2.gz ZWNHYMWTPUXBOY-RAIGVLPGSA-N -1 1 350.423 -0.944 20 0 FBADMM COCc1nc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C)cs1 ZINC001081033635 838131758 /nfs/dbraw/zinc/13/17/58/838131758.db2.gz 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/nfs/dbraw/zinc/79/53/88/843795388.db2.gz CFUIOJBRDAYVPR-WDEREUQCSA-N -1 1 374.492 -0.077 20 0 FBADMM C[C@]1(CCCC(=O)N2CCSC[C@@H]2c2nn[n-]n2)NC(=O)NC1=O ZINC001154774972 843795475 /nfs/dbraw/zinc/79/54/75/843795475.db2.gz COTNBAPCIXGYBV-AMIZOPFISA-N -1 1 353.408 -0.415 20 0 FBADMM C[C@]1(CCCC(=O)N2CCSC[C@H]2c2nn[n-]n2)NC(=O)NC1=O ZINC001154774973 843795975 /nfs/dbraw/zinc/79/59/75/843795975.db2.gz COTNBAPCIXGYBV-ISVAXAHUSA-N -1 1 353.408 -0.415 20 0 FBADMM C[C@@]1(CCCC(=O)N2CCSC[C@@H]2c2nn[n-]n2)NC(=O)NC1=O ZINC001154774974 843795944 /nfs/dbraw/zinc/79/59/44/843795944.db2.gz COTNBAPCIXGYBV-OQPBUACISA-N -1 1 353.408 -0.415 20 0 FBADMM C[C@@]1(CCCC(=O)N2CCSC[C@H]2c2nn[n-]n2)NC(=O)NC1=O ZINC001154774975 843795804 /nfs/dbraw/zinc/79/58/04/843795804.db2.gz COTNBAPCIXGYBV-SDBXPKJASA-N -1 1 353.408 -0.415 20 0 FBADMM COCCn1cc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)ccc1=O ZINC001154776061 843795545 /nfs/dbraw/zinc/79/55/45/843795545.db2.gz ILHNVMHNMFEXPQ-LLVKDONJSA-N -1 1 350.404 -0.062 20 0 FBADMM COCCn1cc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)ccc1=O ZINC001154776062 843796009 /nfs/dbraw/zinc/79/60/09/843796009.db2.gz ILHNVMHNMFEXPQ-NSHDSACASA-N -1 1 350.404 -0.062 20 0 FBADMM NS(=O)(=O)Cc1cccc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)c1 ZINC001154776925 843795343 /nfs/dbraw/zinc/79/53/43/843795343.db2.gz NRRBFTJJXKJRHR-LLVKDONJSA-N -1 1 368.444 -0.082 20 0 FBADMM NS(=O)(=O)Cc1cccc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)c1 ZINC001154776926 843795889 /nfs/dbraw/zinc/79/58/89/843795889.db2.gz NRRBFTJJXKJRHR-NSHDSACASA-N -1 1 368.444 -0.082 20 0 FBADMM COc1cc2[nH]ncc2cc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001154798868 843795864 /nfs/dbraw/zinc/79/58/64/843795864.db2.gz BBQSFKQVYZMKOK-KGFZYKRKSA-N -1 1 354.344 -0.297 20 0 FBADMM Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)c2cnncc2[O-])cn1 ZINC001154895274 843797432 /nfs/dbraw/zinc/79/74/32/843797432.db2.gz LTNSIWRNTLUUGV-GFCCVEGCSA-N -1 1 351.388 -0.082 20 0 FBADMM Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)c2cnncc2[O-])cn1 ZINC001154895275 843797460 /nfs/dbraw/zinc/79/74/60/843797460.db2.gz LTNSIWRNTLUUGV-LBPRGKRZSA-N -1 1 351.388 -0.082 20 0 FBADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(S(C)(=O)=O)nc2)co1 ZINC001154913397 843797673 /nfs/dbraw/zinc/79/76/73/843797673.db2.gz QEOJIBMTZVTLTL-UHFFFAOYSA-N -1 1 373.412 -0.084 20 0 FBADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(S(C)(=O)=O)nc2)o1 ZINC001154913424 843797570 /nfs/dbraw/zinc/79/75/70/843797570.db2.gz RAXFVXIOEOYVTE-UHFFFAOYSA-N -1 1 373.412 -0.084 20 0 FBADMM COC[C@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC001155068528 843800138 /nfs/dbraw/zinc/80/01/38/843800138.db2.gz JHNSNSNTPVQFKA-JTQLQIEISA-N -1 1 374.810 -0.365 20 0 FBADMM COC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC001155068538 843799715 /nfs/dbraw/zinc/79/97/15/843799715.db2.gz JHNSNSNTPVQFKA-SNVBAGLBSA-N -1 1 374.810 -0.365 20 0 FBADMM COCCN(CC(=O)N[C@@H](COC)c1nn[n-]n1)C(=O)OC(C)(C)C ZINC001155068905 843800274 /nfs/dbraw/zinc/80/02/74/843800274.db2.gz MRPUJTBQOOTNBB-JTQLQIEISA-N -1 1 358.399 -0.113 20 0 FBADMM COCCN(CC(=O)N[C@H](COC)c1nn[n-]n1)C(=O)OC(C)(C)C ZINC001155068907 843799685 /nfs/dbraw/zinc/79/96/85/843799685.db2.gz MRPUJTBQOOTNBB-SNVBAGLBSA-N -1 1 358.399 -0.113 20 0 FBADMM COC[C@H](NC(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F)c1nn[n-]n1 ZINC001155069678 843799618 /nfs/dbraw/zinc/79/96/18/843799618.db2.gz QWDAAQMTABNNEP-CIUDSAMLSA-N -1 1 353.301 -0.013 20 0 FBADMM COC[C@H](NC(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F)c1nn[n-]n1 ZINC001155069679 843799940 /nfs/dbraw/zinc/79/99/40/843799940.db2.gz QWDAAQMTABNNEP-HLTSFMKQSA-N -1 1 353.301 -0.013 20 0 FBADMM COC[C@H](NC(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F)c1nn[n-]n1 ZINC001155069680 843800358 /nfs/dbraw/zinc/80/03/58/843800358.db2.gz QWDAAQMTABNNEP-VGMNWLOBSA-N -1 1 353.301 -0.013 20 0 FBADMM COC[C@H](NC(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F)c1nn[n-]n1 ZINC001155069681 843800058 /nfs/dbraw/zinc/80/00/58/843800058.db2.gz QWDAAQMTABNNEP-YIZRAAEISA-N -1 1 353.301 -0.013 20 0 FBADMM COC[C@@H](NC(=O)c1ccc(CCNS(C)(=O)=O)s1)c1nn[n-]n1 ZINC001155070413 843799969 /nfs/dbraw/zinc/79/99/69/843799969.db2.gz WBIFJZZUBRTBHB-SECBINFHSA-N -1 1 374.448 -0.530 20 0 FBADMM COC[C@H](NC(=O)c1ccc(CCNS(C)(=O)=O)s1)c1nn[n-]n1 ZINC001155070414 843799731 /nfs/dbraw/zinc/79/97/31/843799731.db2.gz WBIFJZZUBRTBHB-VIFPVBQESA-N -1 1 374.448 -0.530 20 0 FBADMM COC[C@@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1nn[n-]n1 ZINC001155070679 843799666 /nfs/dbraw/zinc/79/96/66/843799666.db2.gz XVPOUHWQIVVPPI-GFCCVEGCSA-N -1 1 366.403 -0.242 20 0 FBADMM COC[C@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1nn[n-]n1 ZINC001155070680 843800596 /nfs/dbraw/zinc/80/05/96/843800596.db2.gz XVPOUHWQIVVPPI-LBPRGKRZSA-N -1 1 366.403 -0.242 20 0 FBADMM COC[C@@H](NC(=O)Cn1ccc(Br)cc1=O)c1nn[n-]n1 ZINC001155070789 843800309 /nfs/dbraw/zinc/80/03/09/843800309.db2.gz ZCZWYVKGGOJEFI-MRVPVSSYSA-N -1 1 357.168 -0.372 20 0 FBADMM COC[C@H](NC(=O)Cn1ccc(Br)cc1=O)c1nn[n-]n1 ZINC001155070790 843800185 /nfs/dbraw/zinc/80/01/85/843800185.db2.gz ZCZWYVKGGOJEFI-QMMMGPOBSA-N -1 1 357.168 -0.372 20 0 FBADMM COC[C@@H](NC(=O)c1cc(=O)n(C)cc1Br)c1nn[n-]n1 ZINC001155075796 843799580 /nfs/dbraw/zinc/79/95/80/843799580.db2.gz LGLPHLCNGUEFHA-MRVPVSSYSA-N -1 1 357.168 -0.222 20 0 FBADMM COC[C@H](NC(=O)c1cc(=O)n(C)cc1Br)c1nn[n-]n1 ZINC001155075797 843799763 /nfs/dbraw/zinc/79/97/63/843799763.db2.gz LGLPHLCNGUEFHA-QMMMGPOBSA-N -1 1 357.168 -0.222 20 0 FBADMM Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC001155085111 843799834 /nfs/dbraw/zinc/79/98/34/843799834.db2.gz HNTBSRYQCXWCEJ-SECBINFHSA-N -1 1 351.392 -0.279 20 0 FBADMM Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001155085113 843800025 /nfs/dbraw/zinc/80/00/25/843800025.db2.gz HNTBSRYQCXWCEJ-VIFPVBQESA-N -1 1 351.392 -0.279 20 0 FBADMM Cn1nc2c(c1C(=O)N1CCC[C@@H](c3nn[n-]n3)C1)CS(=O)(=O)CC2 ZINC001155085841 843800453 /nfs/dbraw/zinc/80/04/53/843800453.db2.gz SDCLNCPYJUIFLW-SECBINFHSA-N -1 1 365.419 -0.576 20 0 FBADMM Cn1nc2c(c1C(=O)N1CCC[C@H](c3nn[n-]n3)C1)CS(=O)(=O)CC2 ZINC001155085842 843799795 /nfs/dbraw/zinc/79/97/95/843799795.db2.gz SDCLNCPYJUIFLW-VIFPVBQESA-N -1 1 365.419 -0.576 20 0 FBADMM NS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)cc1 ZINC001155134627 843800944 /nfs/dbraw/zinc/80/09/44/843800944.db2.gz JYISHZGXDFFIOD-GFCCVEGCSA-N -1 1 364.431 -0.129 20 0 FBADMM NS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)cc1 ZINC001155134629 843800870 /nfs/dbraw/zinc/80/08/70/843800870.db2.gz JYISHZGXDFFIOD-LBPRGKRZSA-N -1 1 364.431 -0.129 20 0 FBADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N(C)Cc1nnc2n1CCN(C)C2=O ZINC001155167899 843801006 /nfs/dbraw/zinc/80/10/06/843801006.db2.gz UFOGDFGHHWDFPI-UHFFFAOYSA-N -1 1 363.403 -0.271 20 0 FBADMM COC(=O)[C@@H](N)C1CCN(c2ccc(S(=O)(=O)[N-]C(C)=O)cn2)CC1 ZINC001155169575 843802331 /nfs/dbraw/zinc/80/23/31/843802331.db2.gz MBLFPKAOXHUMCL-AWEZNQCLSA-N -1 1 370.431 -0.377 20 0 FBADMM COC(=O)[C@H](N)C1CCN(c2ccc(S(=O)(=O)[N-]C(C)=O)cn2)CC1 ZINC001155169576 843802678 /nfs/dbraw/zinc/80/26/78/843802678.db2.gz MBLFPKAOXHUMCL-CQSZACIVSA-N -1 1 370.431 -0.377 20 0 FBADMM O=C(CCCc1nn[n-]n1)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC001155188930 843802144 /nfs/dbraw/zinc/80/21/44/843802144.db2.gz AQOXERGCFWUYQO-UHFFFAOYSA-N -1 1 374.373 -0.105 20 0 FBADMM CC(=O)[N-]S(=O)(=O)c1ccc(NCc2nnc3n2CCCNC3)nc1 ZINC001155430364 843807852 /nfs/dbraw/zinc/80/78/52/843807852.db2.gz YSPHORUYPNQQMV-UHFFFAOYSA-N -1 1 365.419 -0.397 20 0 FBADMM Cn1cc(Br)c(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)n1 ZINC001155515937 843809885 /nfs/dbraw/zinc/80/98/85/843809885.db2.gz JAKBBCVWNGOGMF-UHFFFAOYSA-N -1 1 356.184 -0.181 20 0 FBADMM CS(=O)(=O)N1CCC(N(CC(F)F)C(=O)CCc2nn[n-]n2)CC1 ZINC001155516187 843810299 /nfs/dbraw/zinc/81/02/99/843810299.db2.gz PEHFWQVISXYRTE-UHFFFAOYSA-N -1 1 366.394 -0.350 20 0 FBADMM CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(O)(c3nn[n-]n3)CC2)C1 ZINC001155516349 843809385 /nfs/dbraw/zinc/80/93/85/843809385.db2.gz RFIYWCXEZYNXPR-LLVKDONJSA-N -1 1 372.451 -0.929 20 0 FBADMM CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(O)(c3nn[n-]n3)CC2)C1 ZINC001155516350 843809531 /nfs/dbraw/zinc/80/95/31/843809531.db2.gz RFIYWCXEZYNXPR-NSHDSACASA-N -1 1 372.451 -0.929 20 0 FBADMM CO[C@](C)(C(=O)OC(C)(C)C)C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001155520295 843809666 /nfs/dbraw/zinc/80/96/66/843809666.db2.gz BFNZQYIZPDWMLH-AWEZNQCLSA-N -1 1 355.395 -0.244 20 0 FBADMM CO[C@@](C)(C(=O)OC(C)(C)C)C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001155520296 843810183 /nfs/dbraw/zinc/81/01/83/843810183.db2.gz BFNZQYIZPDWMLH-CQSZACIVSA-N -1 1 355.395 -0.244 20 0 FBADMM O=C([C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001155520341 843810057 /nfs/dbraw/zinc/81/00/57/843810057.db2.gz CKRWPWUFBKFFOJ-RTCCRHLQSA-N -1 1 355.420 -0.635 20 0 FBADMM O=C(CCCc1nn[n-]n1)NCCNS(=O)(=O)Cc1ccccc1 ZINC001155584601 843812271 /nfs/dbraw/zinc/81/22/71/843812271.db2.gz CUNAEZCFLPCNDT-UHFFFAOYSA-N -1 1 352.420 -0.242 20 0 FBADMM COC[C@H](O)CNC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC001155727013 843814034 /nfs/dbraw/zinc/81/40/34/843814034.db2.gz OUNSCSBGQTZMGV-GFCCVEGCSA-N -1 1 354.407 -0.617 20 0 FBADMM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cccc2cncn21 ZINC001155786588 843814553 /nfs/dbraw/zinc/81/45/53/843814553.db2.gz AOJPKUUTSZFBIR-UHFFFAOYSA-N -1 1 365.331 -0.955 20 0 FBADMM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001156073583 843817395 /nfs/dbraw/zinc/81/73/95/843817395.db2.gz GNNYEGOMAFQMRJ-HTQZYQBOSA-N -1 1 356.404 -0.035 20 0 FBADMM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001156073588 843817994 /nfs/dbraw/zinc/81/79/94/843817994.db2.gz GNNYEGOMAFQMRJ-JGVFFNPUSA-N -1 1 356.404 -0.035 20 0 FBADMM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001156073590 843817806 /nfs/dbraw/zinc/81/78/06/843817806.db2.gz GNNYEGOMAFQMRJ-SFYZADRCSA-N -1 1 356.404 -0.035 20 0 FBADMM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001156073591 843817858 /nfs/dbraw/zinc/81/78/58/843817858.db2.gz GNNYEGOMAFQMRJ-YUMQZZPRSA-N -1 1 356.404 -0.035 20 0 FBADMM CC(=O)[N-]S(=O)(=O)c1ccc(NCCNC(=O)C(F)(F)F)nc1 ZINC001156205633 843819364 /nfs/dbraw/zinc/81/93/64/843819364.db2.gz QRDMCKXSMKJQNO-UHFFFAOYSA-N -1 1 354.310 -0.003 20 0 FBADMM CNS(=O)(=O)NC1CCN(C(=O)c2cnc(SC)[n-]c2=O)CC1 ZINC001156465328 843824087 /nfs/dbraw/zinc/82/40/87/843824087.db2.gz VCMACUWDESAHJP-UHFFFAOYSA-N -1 1 361.449 -0.438 20 0 FBADMM COc1cnc(C(C)(C)NC(=O)CN(C)CC(=O)NC(C)C)[n-]c1=O ZINC001156559014 843824771 /nfs/dbraw/zinc/82/47/71/843824771.db2.gz IGDLCQLWGBHVNC-UHFFFAOYSA-N -1 1 353.423 -0.002 20 0 FBADMM COC(=O)[C@]12CN(C(=O)c3[nH]c(=O)[n-]c(=O)c3OC)C[C@H]1COCC2 ZINC001156574809 843825031 /nfs/dbraw/zinc/82/50/31/843825031.db2.gz KQOFXBRYMDFRDL-VXJOIVPMSA-N -1 1 353.331 -0.452 20 0 FBADMM CCOC(=O)c1c[nH]c2ncnc(N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)c12 ZINC001157067469 843832953 /nfs/dbraw/zinc/83/29/53/843832953.db2.gz CPWUMLPZJWJHPQ-RCOVLWMOSA-N -1 1 369.359 -0.051 20 0 FBADMM COC(=O)c1cc2c(ncnc2N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)[nH]1 ZINC001157067542 843833301 /nfs/dbraw/zinc/83/33/01/843833301.db2.gz FPBYCYDWTGHPRZ-XNCJUZBTSA-N -1 1 355.332 -0.490 20 0 FBADMM C[C@H]1[C@H](Nc2ccc(N3CCN(C)CC3)nn2)C(=O)N1S(=O)(=O)[O-] ZINC001157067784 843832867 /nfs/dbraw/zinc/83/28/67/843832867.db2.gz RWPXENMLYAOQJE-CABZTGNLSA-N -1 1 356.408 -0.958 20 0 FBADMM CCc1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc(N2CCOCC2)n1 ZINC001157070289 843833512 /nfs/dbraw/zinc/83/35/12/843833512.db2.gz GIOOXANYCJNZKQ-CABZTGNLSA-N -1 1 371.419 -0.310 20 0 FBADMM CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001157351838 843839678 /nfs/dbraw/zinc/83/96/78/843839678.db2.gz CWKLILBRMCOXOG-NSHDSACASA-N -1 1 359.404 -0.388 20 0 FBADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCS(=O)(=O)N2CCCC2)co1 ZINC001157404932 843841166 /nfs/dbraw/zinc/84/11/66/843841166.db2.gz OFJDTCFDDXQVLF-UHFFFAOYSA-N -1 1 365.433 -0.657 20 0 FBADMM Nc1cccn(CC(=O)NCC[N-]C(=O)C(F)(F)Br)c1=O ZINC001157434660 843842162 /nfs/dbraw/zinc/84/21/62/843842162.db2.gz QTRVKOIVPHRWHA-UHFFFAOYSA-N -1 1 367.150 -0.349 20 0 FBADMM 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BYNXJDLXOHBTPM-VHSXEESVSA-N -1 1 362.429 -0.306 20 0 FBADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)o1 ZINC001177137662 840309367 /nfs/dbraw/zinc/30/93/67/840309367.db2.gz BYNXJDLXOHBTPM-ZJUUUORDSA-N -1 1 362.429 -0.306 20 0 FBADMM C[C@H]1[C@H](NC(=O)CSc2n[nH]c(=S)s2)C(=O)N1S(=O)(=O)[O-] ZINC001177346118 840314337 /nfs/dbraw/zinc/31/43/37/840314337.db2.gz PULPPXGEFFKPDW-UCORVYFPSA-N -1 1 370.459 -0.563 20 0 FBADMM Cn1cnnc1CCC(=O)NCC[N-]C(=O)C(F)(F)Br ZINC001177432176 840316535 /nfs/dbraw/zinc/31/65/35/840316535.db2.gz CZFHWRSXZZOHDE-UHFFFAOYSA-N -1 1 354.155 -0.032 20 0 FBADMM Cc1nc(CC(=O)Nc2ccc(CC(=O)[N-]S(C)(=O)=O)cc2)n[nH]1 ZINC001177439785 840317046 /nfs/dbraw/zinc/31/70/46/840317046.db2.gz HMAKVHRFEAALQP-UHFFFAOYSA-N -1 1 351.388 -0.087 20 0 FBADMM O=C(CCC(=O)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21)Nc1nncs1 ZINC001177450801 840315852 /nfs/dbraw/zinc/31/58/52/840315852.db2.gz AGKUYDTXUAQNHU-UHFFFAOYSA-N -1 1 350.320 -0.075 20 0 FBADMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)CN(C)S(C)(=O)=O ZINC001177565115 840318148 /nfs/dbraw/zinc/31/81/48/840318148.db2.gz DOELMPHOZLRHTJ-SECBINFHSA-N -1 1 359.408 -0.464 20 0 FBADMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)CN(C)S(C)(=O)=O ZINC001177565115 840318136 /nfs/dbraw/zinc/31/81/36/840318136.db2.gz DOELMPHOZLRHTJ-SECBINFHSA-N -1 1 359.408 -0.464 20 0 FBADMM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)CN(C)S(C)(=O)=O ZINC001177565115 840318123 /nfs/dbraw/zinc/31/81/23/840318123.db2.gz DOELMPHOZLRHTJ-SECBINFHSA-N -1 1 359.408 -0.464 20 0 FBADMM CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)CN(C)S(C)(=O)=O ZINC001177565116 840318858 /nfs/dbraw/zinc/31/88/58/840318858.db2.gz DOELMPHOZLRHTJ-VIFPVBQESA-N -1 1 359.408 -0.464 20 0 FBADMM CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)CN(C)S(C)(=O)=O ZINC001177565116 840318844 /nfs/dbraw/zinc/31/88/44/840318844.db2.gz DOELMPHOZLRHTJ-VIFPVBQESA-N -1 1 359.408 -0.464 20 0 FBADMM CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)CN(C)S(C)(=O)=O ZINC001177565116 840318831 /nfs/dbraw/zinc/31/88/31/840318831.db2.gz DOELMPHOZLRHTJ-VIFPVBQESA-N -1 1 359.408 -0.464 20 0 FBADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C(=O)NCC23CCOCC3)co1 ZINC001177596030 840319229 /nfs/dbraw/zinc/31/92/29/840319229.db2.gz IFCHBRONDFITCQ-LLVKDONJSA-N -1 1 357.388 -0.787 20 0 FBADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C(=O)NCC23CCOCC3)co1 ZINC001177596031 840319415 /nfs/dbraw/zinc/31/94/15/840319415.db2.gz IFCHBRONDFITCQ-NSHDSACASA-N -1 1 357.388 -0.787 20 0 FBADMM O=C(Cn1nn[n-]c1=S)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001177737993 840321626 /nfs/dbraw/zinc/32/16/26/840321626.db2.gz DOOGMXYEQHUSNC-UHFFFAOYSA-N -1 1 362.463 -0.161 20 0 FBADMM CN(C)C(=O)CN1CCC2(CCCN2C(=O)Cn2nn[n-]c2=S)CC1 ZINC001177738012 840321354 /nfs/dbraw/zinc/32/13/54/840321354.db2.gz DTVSJRFLHKQDQH-UHFFFAOYSA-N -1 1 367.479 -0.493 20 0 FBADMM O=C(Cn1nn[n-]c1=S)Nc1ccc(N2CCN(CCO)CC2)cc1 ZINC001177740856 840322327 /nfs/dbraw/zinc/32/23/27/840322327.db2.gz HPJVNHSRDUDCPH-UHFFFAOYSA-N -1 1 363.447 -0.285 20 0 FBADMM CN(CCNC(=O)Cn1nn[n-]c1=S)CCNC(=O)OC(C)(C)C ZINC001177742696 840322412 /nfs/dbraw/zinc/32/24/12/840322412.db2.gz HVEBIVBFULVVDS-UHFFFAOYSA-N -1 1 359.456 -0.466 20 0 FBADMM COC[C@@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1nn[n-]n1 ZINC001177823093 840324833 /nfs/dbraw/zinc/32/48/33/840324833.db2.gz JTFIUSQIAUTTGA-GFCCVEGCSA-N -1 1 366.403 -0.242 20 0 FBADMM COC[C@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1nn[n-]n1 ZINC001177823094 840324286 /nfs/dbraw/zinc/32/42/86/840324286.db2.gz JTFIUSQIAUTTGA-LBPRGKRZSA-N -1 1 366.403 -0.242 20 0 FBADMM COC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(OC)cc1)c1nn[n-]n1 ZINC001177823546 840324213 /nfs/dbraw/zinc/32/42/13/840324213.db2.gz QIOCUMMXBCXWEA-GFCCVEGCSA-N -1 1 369.403 -0.124 20 0 FBADMM COC[C@H](NC(=O)CCS(=O)(=O)c1ccc(OC)cc1)c1nn[n-]n1 ZINC001177823547 840323735 /nfs/dbraw/zinc/32/37/35/840323735.db2.gz QIOCUMMXBCXWEA-LBPRGKRZSA-N -1 1 369.403 -0.124 20 0 FBADMM CNS(=O)(=O)c1cc(C(=O)N[C@H](COC)c2nn[n-]n2)ccc1F ZINC001177826776 840324889 /nfs/dbraw/zinc/32/48/89/840324889.db2.gz BFZYDMDGSNVCME-SECBINFHSA-N -1 1 358.355 -0.636 20 0 FBADMM CNS(=O)(=O)c1cc(C(=O)N[C@@H](COC)c2nn[n-]n2)ccc1F ZINC001177826778 840324103 /nfs/dbraw/zinc/32/41/03/840324103.db2.gz BFZYDMDGSNVCME-VIFPVBQESA-N -1 1 358.355 -0.636 20 0 FBADMM COC[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1)c1nn[n-]n1 ZINC001177827008 840323624 /nfs/dbraw/zinc/32/36/24/840323624.db2.gz CEZJRBLOZLABOQ-LLVKDONJSA-N -1 1 370.391 -0.501 20 0 FBADMM COC[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1)c1nn[n-]n1 ZINC001177827016 840324012 /nfs/dbraw/zinc/32/40/12/840324012.db2.gz CEZJRBLOZLABOQ-NSHDSACASA-N -1 1 370.391 -0.501 20 0 FBADMM CNS(=O)(=O)c1ccc(CC(=O)N[C@H](COC)c2nn[n-]n2)cc1 ZINC001177827353 840323895 /nfs/dbraw/zinc/32/38/95/840323895.db2.gz FYRDALQVCVFKQE-LLVKDONJSA-N -1 1 354.392 -0.846 20 0 FBADMM CNS(=O)(=O)c1ccc(CC(=O)N[C@@H](COC)c2nn[n-]n2)cc1 ZINC001177827354 840324715 /nfs/dbraw/zinc/32/47/15/840324715.db2.gz FYRDALQVCVFKQE-NSHDSACASA-N -1 1 354.392 -0.846 20 0 FBADMM COC[C@@H](NC(=O)c1[nH]ncc1I)c1nn[n-]n1 ZINC001177828306 840324050 /nfs/dbraw/zinc/32/40/50/840324050.db2.gz MVKSHYSWTNZZJD-RXMQYKEDSA-N -1 1 363.119 -0.355 20 0 FBADMM COC[C@H](NC(=O)c1[nH]ncc1I)c1nn[n-]n1 ZINC001177828310 840324497 /nfs/dbraw/zinc/32/44/97/840324497.db2.gz MVKSHYSWTNZZJD-YFKPBYRVSA-N -1 1 363.119 -0.355 20 0 FBADMM CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)o1 ZINC001177866468 840324451 /nfs/dbraw/zinc/32/44/51/840324451.db2.gz LYYWZOFDYAKXTA-SECBINFHSA-N -1 1 354.392 -0.204 20 0 FBADMM CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)o1 ZINC001177866469 840323790 /nfs/dbraw/zinc/32/37/90/840323790.db2.gz LYYWZOFDYAKXTA-VIFPVBQESA-N -1 1 354.392 -0.204 20 0 FBADMM O=C(CCC(=O)N1CCC[C@H](Cc2nn[n-]n2)C1)N1CCC(O)CC1 ZINC001177866740 840323675 /nfs/dbraw/zinc/32/36/75/840323675.db2.gz QLMWTKMYXQSZLT-GFCCVEGCSA-N -1 1 350.423 -0.256 20 0 FBADMM O=C(CCC(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1)N1CCC(O)CC1 ZINC001177866741 840324542 /nfs/dbraw/zinc/32/45/42/840324542.db2.gz QLMWTKMYXQSZLT-LBPRGKRZSA-N -1 1 350.423 -0.256 20 0 FBADMM CS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)CC1 ZINC001177867092 840324982 /nfs/dbraw/zinc/32/49/82/840324982.db2.gz WMECIQRPSWAQMG-LLVKDONJSA-N -1 1 356.452 -0.348 20 0 FBADMM CS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)CC1 ZINC001177867098 840324760 /nfs/dbraw/zinc/32/47/60/840324760.db2.gz WMECIQRPSWAQMG-NSHDSACASA-N -1 1 356.452 -0.348 20 0 FBADMM CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001177871471 840325032 /nfs/dbraw/zinc/32/50/32/840325032.db2.gz VYZHNLXVKZVTGN-JTQLQIEISA-N -1 1 353.408 -0.484 20 0 FBADMM CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001177871472 840323851 /nfs/dbraw/zinc/32/38/51/840323851.db2.gz VYZHNLXVKZVTGN-SNVBAGLBSA-N -1 1 353.408 -0.484 20 0 FBADMM O=C(CN1CCCC2(CC2)S1(=O)=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001177871500 840324945 /nfs/dbraw/zinc/32/49/45/840324945.db2.gz WVUFFQKQRWDSRT-GFCCVEGCSA-N -1 1 368.463 -0.061 20 0 FBADMM O=C(CN1CCCC2(CC2)S1(=O)=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001177871511 840324625 /nfs/dbraw/zinc/32/46/25/840324625.db2.gz WVUFFQKQRWDSRT-LBPRGKRZSA-N -1 1 368.463 -0.061 20 0 FBADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCCS(=O)(=O)N=S(C)(C)=O ZINC001178115097 840328739 /nfs/dbraw/zinc/32/87/39/840328739.db2.gz LYNNPOJRWOSMNA-UHFFFAOYSA-N -1 1 368.462 -0.433 20 0 FBADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CCS(=O)(=O)C2(CCC2)C1 ZINC001178552930 840336953 /nfs/dbraw/zinc/33/69/53/840336953.db2.gz YKFHXZBTXFPUCG-LLVKDONJSA-N -1 1 355.416 -0.457 20 0 FBADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H]1CCS(=O)(=O)C2(CCC2)C1 ZINC001178552931 840336738 /nfs/dbraw/zinc/33/67/38/840336738.db2.gz YKFHXZBTXFPUCG-NSHDSACASA-N -1 1 355.416 -0.457 20 0 FBADMM CS(=O)(=O)N1CCC(C(=O)Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)CC1 ZINC001178768465 840344574 /nfs/dbraw/zinc/34/45/74/840344574.db2.gz ZXVPEBYJUWSRMY-UHFFFAOYSA-N -1 1 356.364 -0.674 20 0 FBADMM NS(=O)(=O)c1cnn(CC(=O)NCCc2c(F)cc([O-])cc2F)c1 ZINC001178784853 840345249 /nfs/dbraw/zinc/34/52/49/840345249.db2.gz JLKMNGLXTOTZGA-UHFFFAOYSA-N -1 1 360.342 -0.127 20 0 FBADMM CN1CCN(C)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC001178974801 840347287 /nfs/dbraw/zinc/34/72/87/840347287.db2.gz YRZHGSLCVZXGPY-UHFFFAOYSA-N -1 1 356.448 -0.641 20 0 FBADMM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCc1n[nH]c(CS(C)(=O)=O)n1 ZINC001179021093 840349404 /nfs/dbraw/zinc/34/94/04/840349404.db2.gz NHMATCOTTAYYCN-UHFFFAOYSA-N -1 1 371.341 -0.577 20 0 FBADMM CC(=O)N1CCN(CC(=O)Nc2nc(N(C)C)[n-]c(=O)c2N=O)CC1 ZINC001179027800 840352055 /nfs/dbraw/zinc/35/20/55/840352055.db2.gz XEVKNPOLBRKUCY-UHFFFAOYSA-N -1 1 351.367 -0.251 20 0 FBADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CN2CCN(C(C)=O)CC2)c1 ZINC001179031551 840351904 /nfs/dbraw/zinc/35/19/04/840351904.db2.gz IUBPREVQCWAVBR-UHFFFAOYSA-N -1 1 370.431 -0.597 20 0 FBADMM COc1cnc(C2(NC(=O)CS(=O)(=O)N(C)C)CCCC2)[n-]c1=O ZINC001179193115 840355661 /nfs/dbraw/zinc/35/56/61/840355661.db2.gz FOLDEFALKSXZLW-UHFFFAOYSA-N -1 1 358.420 -0.032 20 0 FBADMM 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840506890 /nfs/dbraw/zinc/50/68/90/840506890.db2.gz IPOATVIFZRLTPE-VHSXEESVSA-N -1 1 354.367 -0.386 20 0 FBADMM CC(=O)O[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1nn[n-]n1 ZINC001185842502 840507261 /nfs/dbraw/zinc/50/72/61/840507261.db2.gz IPOATVIFZRLTPE-ZJUUUORDSA-N -1 1 354.367 -0.386 20 0 FBADMM Cn1cc(S(=O)(=O)[N-]CC(=O)Nc2cccc(F)c2)c(=O)[nH]c1=O ZINC001186107707 840515824 /nfs/dbraw/zinc/51/58/24/840515824.db2.gz WXPVGGHIKFBMHT-UHFFFAOYSA-N -1 1 356.335 -0.458 20 0 FBADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CN2CC[C@H](C(=O)OC)C2)c1 ZINC001186110047 840515941 /nfs/dbraw/zinc/51/59/41/840515941.db2.gz QPCDRYKWEYHAPS-JTQLQIEISA-N -1 1 371.415 -0.266 20 0 FBADMM COCCNC(=O)Nc1ncnc2c1ncn2CCOC[P@](=O)([O-])O ZINC001186497480 840520097 /nfs/dbraw/zinc/52/00/97/840520097.db2.gz ZVGJGGJVPYQHKM-UHFFFAOYSA-N -1 1 374.294 -0.254 20 0 FBADMM COC(=O)c1ccc(OC)c(S(=O)(=O)NCC[P@](=O)([O-])O)c1 ZINC001186584010 840522556 /nfs/dbraw/zinc/52/25/56/840522556.db2.gz DYKTYKIOGYPBTB-UHFFFAOYSA-N -1 1 353.289 -0.062 20 0 FBADMM COc1cc(S(=O)(=O)[N-]C2CCN(CC(=O)N(C)C)CC2)sn1 ZINC001186600477 840525035 /nfs/dbraw/zinc/52/50/35/840525035.db2.gz JIRHFCCOEXTIAM-UHFFFAOYSA-N -1 1 362.477 -0.017 20 0 FBADMM CC(=O)N[C@@H](CO)C(=O)NCC(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001186603543 840526496 /nfs/dbraw/zinc/52/64/96/840526496.db2.gz DMVJFAYQJXOKOU-JTQLQIEISA-N -1 1 363.292 -0.037 20 0 FBADMM CC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)cc1 ZINC001186672449 840526416 /nfs/dbraw/zinc/52/64/16/840526416.db2.gz OXEBEGKGMVIUQX-UHFFFAOYSA-N -1 1 366.399 -0.035 20 0 FBADMM CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001186727417 840533554 /nfs/dbraw/zinc/53/35/54/840533554.db2.gz NHEZVEPOYVRNEP-RFZPGFLSSA-N -1 1 352.307 -0.890 20 0 FBADMM NC(=O)C([N-]S(=O)(=O)c1cc(F)c(F)cc1Br)C(N)=O ZINC001186728012 840533294 /nfs/dbraw/zinc/53/32/94/840533294.db2.gz AFVHDKAWRQBLFF-UHFFFAOYSA-N -1 1 372.147 -0.655 20 0 FBADMM NC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cc(F)c(F)cc1Br ZINC001186737085 840530742 /nfs/dbraw/zinc/53/07/42/840530742.db2.gz KHEREZWITONAGG-SSDOTTSWSA-N -1 1 359.148 -0.148 20 0 FBADMM NC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(F)c(F)cc1Br ZINC001186737086 840530883 /nfs/dbraw/zinc/53/08/83/840530883.db2.gz KHEREZWITONAGG-ZETCQYMHSA-N -1 1 359.148 -0.148 20 0 FBADMM CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)Nc1c(N)[nH]c(=O)[n-]c1=O ZINC001186916044 840542220 /nfs/dbraw/zinc/54/22/20/840542220.db2.gz PDOPBKUDXYTIAB-NKWVEPMBSA-N -1 1 355.351 -0.052 20 0 FBADMM CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)c1cc(C(=O)OC)[n-]n1 ZINC001186961815 840544822 /nfs/dbraw/zinc/54/48/22/840544822.db2.gz UTPWVYFUOUHFTA-MRVPVSSYSA-N -1 1 353.422 -0.360 20 0 FBADMM CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)c1cc(C(=O)OC)n[n-]1 ZINC001186961815 840544821 /nfs/dbraw/zinc/54/48/21/840544821.db2.gz UTPWVYFUOUHFTA-MRVPVSSYSA-N -1 1 353.422 -0.360 20 0 FBADMM CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)c1cc(C(=O)OC)[n-]n1 ZINC001186961816 840545656 /nfs/dbraw/zinc/54/56/56/840545656.db2.gz UTPWVYFUOUHFTA-QMMMGPOBSA-N -1 1 353.422 -0.360 20 0 FBADMM CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)c1cc(C(=O)OC)n[n-]1 ZINC001186961816 840545652 /nfs/dbraw/zinc/54/56/52/840545652.db2.gz UTPWVYFUOUHFTA-QMMMGPOBSA-N -1 1 353.422 -0.360 20 0 FBADMM Cn1ncc(S(=O)(=O)[N-]CCN2C(=O)CCC2=O)c1C(F)(F)F ZINC001187030125 840546346 /nfs/dbraw/zinc/54/63/46/840546346.db2.gz SDKJKHBQWPBXHH-UHFFFAOYSA-N -1 1 354.310 -0.134 20 0 FBADMM CCCC(=O)NCC(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001187117984 840549673 /nfs/dbraw/zinc/54/96/73/840549673.db2.gz ZTNHYZCCCLQKDI-NWDGAFQWSA-N -1 1 350.423 -0.943 20 0 FBADMM COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)n[n-]1 ZINC001187128214 840552605 /nfs/dbraw/zinc/55/26/05/840552605.db2.gz DHHVOFNLDSGKBK-BDAKNGLRSA-N -1 1 365.433 -0.170 20 0 FBADMM COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)[n-]n1 ZINC001187128214 840552604 /nfs/dbraw/zinc/55/26/04/840552604.db2.gz DHHVOFNLDSGKBK-BDAKNGLRSA-N -1 1 365.433 -0.170 20 0 FBADMM COC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)n[n-]1 ZINC001187128217 840551889 /nfs/dbraw/zinc/55/18/89/840551889.db2.gz DHHVOFNLDSGKBK-DTWKUNHWSA-N -1 1 365.433 -0.170 20 0 FBADMM COC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)[n-]n1 ZINC001187128217 840551881 /nfs/dbraw/zinc/55/18/81/840551881.db2.gz DHHVOFNLDSGKBK-DTWKUNHWSA-N -1 1 365.433 -0.170 20 0 FBADMM COC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)n[n-]1 ZINC001187128219 840551808 /nfs/dbraw/zinc/55/18/08/840551808.db2.gz DHHVOFNLDSGKBK-IUCAKERBSA-N -1 1 365.433 -0.170 20 0 FBADMM COC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)[n-]n1 ZINC001187128219 840551803 /nfs/dbraw/zinc/55/18/03/840551803.db2.gz DHHVOFNLDSGKBK-IUCAKERBSA-N -1 1 365.433 -0.170 20 0 FBADMM COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)n[n-]1 ZINC001187128221 840552434 /nfs/dbraw/zinc/55/24/34/840552434.db2.gz DHHVOFNLDSGKBK-RKDXNWHRSA-N -1 1 365.433 -0.170 20 0 FBADMM COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)[n-]n1 ZINC001187128221 840552426 /nfs/dbraw/zinc/55/24/26/840552426.db2.gz DHHVOFNLDSGKBK-RKDXNWHRSA-N -1 1 365.433 -0.170 20 0 FBADMM COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)n[n-]1 ZINC001187179481 840552324 /nfs/dbraw/zinc/55/23/24/840552324.db2.gz CTPMYSNPUZXNPW-SECBINFHSA-N -1 1 354.392 -0.513 20 0 FBADMM COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)[n-]n1 ZINC001187179481 840552313 /nfs/dbraw/zinc/55/23/13/840552313.db2.gz CTPMYSNPUZXNPW-SECBINFHSA-N -1 1 354.392 -0.513 20 0 FBADMM COC(=O)c1cc(S(=O)(=O)N[C@H]2CCN(c3cnn(C)c3)C2)n[n-]1 ZINC001187179482 840551997 /nfs/dbraw/zinc/55/19/97/840551997.db2.gz CTPMYSNPUZXNPW-VIFPVBQESA-N -1 1 354.392 -0.513 20 0 FBADMM COC(=O)c1cc(S(=O)(=O)N[C@H]2CCN(c3cnn(C)c3)C2)[n-]n1 ZINC001187179482 840551986 /nfs/dbraw/zinc/55/19/86/840551986.db2.gz CTPMYSNPUZXNPW-VIFPVBQESA-N -1 1 354.392 -0.513 20 0 FBADMM COCC(COC)S(=O)(=O)[N-]c1cccc(NS(N)(=O)=O)c1 ZINC001187218611 840555228 /nfs/dbraw/zinc/55/52/28/840555228.db2.gz OGZSWCUVVGJJFT-UHFFFAOYSA-N -1 1 353.422 -0.295 20 0 FBADMM C[C@H]1[C@H](NC(=O)Cc2[nH]nc3ccc(O)cc32)C(=O)N1S(=O)(=O)[O-] ZINC001187250255 840555822 /nfs/dbraw/zinc/55/58/22/840555822.db2.gz RMGYMSWGIPBCNI-QTTZVWFDSA-N -1 1 354.344 -0.671 20 0 FBADMM CCNC(=O)CCC(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001187288162 840556195 /nfs/dbraw/zinc/55/61/95/840556195.db2.gz GOCGIQHHXUHQCB-NWDGAFQWSA-N -1 1 350.423 -0.943 20 0 FBADMM COC(=O)c1cc(S(=O)(=O)NC[C@H](O)COc2ccccc2)n[n-]1 ZINC001187317011 840559243 /nfs/dbraw/zinc/55/92/43/840559243.db2.gz JOJMVJBFDVHYKH-JTQLQIEISA-N -1 1 355.372 -0.086 20 0 FBADMM COC(=O)c1cc(S(=O)(=O)NC[C@H](O)COc2ccccc2)[n-]n1 ZINC001187317011 840559237 /nfs/dbraw/zinc/55/92/37/840559237.db2.gz JOJMVJBFDVHYKH-JTQLQIEISA-N -1 1 355.372 -0.086 20 0 FBADMM COC(=O)c1cc(S(=O)(=O)NC[C@@H](O)COc2ccccc2)n[n-]1 ZINC001187317013 840559073 /nfs/dbraw/zinc/55/90/73/840559073.db2.gz JOJMVJBFDVHYKH-SNVBAGLBSA-N -1 1 355.372 -0.086 20 0 FBADMM COC(=O)c1cc(S(=O)(=O)NC[C@@H](O)COc2ccccc2)[n-]n1 ZINC001187317013 840559063 /nfs/dbraw/zinc/55/90/63/840559063.db2.gz JOJMVJBFDVHYKH-SNVBAGLBSA-N -1 1 355.372 -0.086 20 0 FBADMM O=C1CCCC(=O)N1CC[N-]S(=O)(=O)c1nc[nH]c1Br ZINC001187373517 840560519 /nfs/dbraw/zinc/56/05/19/840560519.db2.gz PJEWHMRDCRNILR-UHFFFAOYSA-N -1 1 365.209 -0.010 20 0 FBADMM Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001187412513 840562829 /nfs/dbraw/zinc/56/28/29/840562829.db2.gz TXUTYHDFEJRTMW-MRVPVSSYSA-N -1 1 355.420 -0.254 20 0 FBADMM Cc1nn(C)c(C)c1C[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001187412514 840562807 /nfs/dbraw/zinc/56/28/07/840562807.db2.gz TXUTYHDFEJRTMW-QMMMGPOBSA-N -1 1 355.420 -0.254 20 0 FBADMM O=C(CNC(=O)[C@@H]1CCC(=O)N1)Nc1nc(Br)ccc1[O-] ZINC001187511002 840566850 /nfs/dbraw/zinc/56/68/50/840566850.db2.gz NSJMQOMPWXTSLP-LURJTMIESA-N -1 1 357.164 -0.117 20 0 FBADMM Cn1cc(S(=O)(=O)[N-]C2(C(=O)NCC3CC3)CCCC2)c(=O)[nH]c1=O ZINC001187555840 840567975 /nfs/dbraw/zinc/56/79/75/840567975.db2.gz ZIMHMBAQIMUFMC-UHFFFAOYSA-N -1 1 370.431 -0.397 20 0 FBADMM CNC(=O)CCCC(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001187631588 840574421 /nfs/dbraw/zinc/57/44/21/840574421.db2.gz SOCGEJLSLJZLCT-NWDGAFQWSA-N -1 1 350.423 -0.943 20 0 FBADMM CN(CCN1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1)S(C)(=O)=O ZINC001187639466 840576031 /nfs/dbraw/zinc/57/60/31/840576031.db2.gz PIDIEBPCRLVBPY-QWHCGFSZSA-N -1 1 368.459 -0.175 20 0 FBADMM CCS(=O)(=O)NCCN1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001187639986 840575225 /nfs/dbraw/zinc/57/52/25/840575225.db2.gz VPFDCESLNLSFGO-QWHCGFSZSA-N -1 1 368.459 -0.127 20 0 FBADMM CS(=O)(=O)NCCN1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001187640161 840575962 /nfs/dbraw/zinc/57/59/62/840575962.db2.gz YXRRVQAUNYKUIZ-NWDGAFQWSA-N -1 1 354.432 -0.517 20 0 FBADMM COc1ccc([O-])c(S(=O)(=O)N2CCN(C(C)(C)C(N)=O)CC2)c1 ZINC001187734697 840582832 /nfs/dbraw/zinc/58/28/32/840582832.db2.gz CKLIUUWLJCRLAG-UHFFFAOYSA-N -1 1 357.432 -0.029 20 0 FBADMM O=C(NCCCN1CCS(=O)(=O)CC1)c1n[n-]nc1C(F)(F)F ZINC001187773290 840581090 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FBADMM Cc1nnsc1C(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001187898780 840591076 /nfs/dbraw/zinc/59/10/76/840591076.db2.gz IEOWSDHUBJGUGT-VIFPVBQESA-N -1 1 352.376 -0.498 20 0 FBADMM NC(=O)[C@H](Cc1ccccc1)NC(=O)C[N-]S(=O)(=O)c1nccs1 ZINC001187925766 840594918 /nfs/dbraw/zinc/59/49/18/840594918.db2.gz VTLWBGDXVSUCSR-NSHDSACASA-N -1 1 368.440 -0.366 20 0 FBADMM NC(=O)CNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1nccs1 ZINC001187925782 840594325 /nfs/dbraw/zinc/59/43/25/840594325.db2.gz WVRAYRCVUAJXFC-NSHDSACASA-N -1 1 368.440 -0.366 20 0 FBADMM Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)CCOCC(F)F)[C@@H]3C2)nc1=O ZINC001187929601 840594163 /nfs/dbraw/zinc/59/41/63/840594163.db2.gz HCLKHGWRMMADBB-WDEREUQCSA-N -1 1 359.377 -0.187 20 0 FBADMM CN(C)S(=O)(=O)c1cccc(C(=O)Nc2c(N)[nH]c(=O)[n-]c2=O)c1 ZINC001187934434 840594708 /nfs/dbraw/zinc/59/47/08/840594708.db2.gz MOCZEMJGNKXAQO-UHFFFAOYSA-N -1 1 353.360 -0.027 20 0 FBADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCN(c3ncccc3F)C2)c(=O)[nH]c1=O ZINC001187959164 840595786 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OGWZHGARSFXYQR-RYUDHWBXSA-N -1 1 372.447 -0.026 20 0 FBADMM COC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@H](N3CCOCC3)C2(C)C)[n-]n1 ZINC001191671063 840851010 /nfs/dbraw/zinc/85/10/10/840851010.db2.gz OGWZHGARSFXYQR-RYUDHWBXSA-N -1 1 372.447 -0.026 20 0 FBADMM COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[C@@H](N3CCOCC3)C2(C)C)n[n-]1 ZINC001191671064 840851254 /nfs/dbraw/zinc/85/12/54/840851254.db2.gz OGWZHGARSFXYQR-VXGBXAGGSA-N -1 1 372.447 -0.026 20 0 FBADMM COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[C@@H](N3CCOCC3)C2(C)C)[n-]n1 ZINC001191671064 840851248 /nfs/dbraw/zinc/85/12/48/840851248.db2.gz OGWZHGARSFXYQR-VXGBXAGGSA-N -1 1 372.447 -0.026 20 0 FBADMM COC(=O)[C@@H]([N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccnn1C ZINC001191729869 840855039 /nfs/dbraw/zinc/85/50/39/840855039.db2.gz ISVMRWLBYFARCR-GWCFXTLKSA-N -1 1 356.404 -0.683 20 0 FBADMM COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccnn1C ZINC001191729870 840855761 /nfs/dbraw/zinc/85/57/61/840855761.db2.gz ISVMRWLBYFARCR-GXFFZTMASA-N -1 1 356.404 -0.683 20 0 FBADMM COC(=O)[C@@H]([N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccnn1C ZINC001191729871 840855380 /nfs/dbraw/zinc/85/53/80/840855380.db2.gz ISVMRWLBYFARCR-MFKMUULPSA-N -1 1 356.404 -0.683 20 0 FBADMM COC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccnn1C ZINC001191729872 840855119 /nfs/dbraw/zinc/85/51/19/840855119.db2.gz ISVMRWLBYFARCR-ZWNOBZJWSA-N -1 1 356.404 -0.683 20 0 FBADMM CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)CCS(=O)(=O)N(C)C)C(=O)OC ZINC001191780300 840864741 /nfs/dbraw/zinc/86/47/41/840864741.db2.gz SXBKLDJSNQXGJS-GHMZBOCLSA-N -1 1 358.482 -0.225 20 0 FBADMM CC[C@@H](C)C[C@H]([N-]S(=O)(=O)CCS(=O)(=O)N(C)C)C(=O)OC ZINC001191780301 840864121 /nfs/dbraw/zinc/86/41/21/840864121.db2.gz SXBKLDJSNQXGJS-MNOVXSKESA-N -1 1 358.482 -0.225 20 0 FBADMM CC[C@H](C)C[C@H]([N-]S(=O)(=O)CCS(=O)(=O)N(C)C)C(=O)OC ZINC001191780302 840864157 /nfs/dbraw/zinc/86/41/57/840864157.db2.gz SXBKLDJSNQXGJS-QWRGUYRKSA-N -1 1 358.482 -0.225 20 0 FBADMM CC[C@H](C)C[C@@H]([N-]S(=O)(=O)CCS(=O)(=O)N(C)C)C(=O)OC 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Cc1n[nH]c(C(=O)N[C@@H]2CN(C[C@@H](O)COCC(C)C)C[C@H]2O)c1[O-] ZINC001192257513 840906429 /nfs/dbraw/zinc/90/64/29/840906429.db2.gz NVDFVVYNOLMKQY-JHJVBQTASA-N -1 1 356.423 -0.768 20 0 FBADMM Cc1n[nH]c(C(=O)N[C@@H]2CN(C[C@H](O)COCC(C)C)C[C@H]2O)c1[O-] ZINC001192257516 840906187 /nfs/dbraw/zinc/90/61/87/840906187.db2.gz NVDFVVYNOLMKQY-YNEHKIRRSA-N -1 1 356.423 -0.768 20 0 FBADMM CS(=O)(=O)CC1(CN2C[C@@H](O)[C@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC001192374642 840920253 /nfs/dbraw/zinc/92/02/53/840920253.db2.gz GONBFOPUQJEJBS-DGCLKSJQSA-N -1 1 369.443 -0.613 20 0 FBADMM O=C(CN1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1)NCC(F)(F)F ZINC001192374696 840920134 /nfs/dbraw/zinc/92/01/34/840920134.db2.gz IITCGVPKSVGZAH-PSASIEDQSA-N -1 1 362.308 -0.759 20 0 FBADMM CC(C)[C@H](C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001192374956 840919604 /nfs/dbraw/zinc/91/96/04/840919604.db2.gz MZUZAEVFLOKPIS-OUCADQQQSA-N -1 1 350.419 -0.277 20 0 FBADMM CC(C)[C@@H](C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001192374957 840920286 /nfs/dbraw/zinc/92/02/86/840920286.db2.gz MZUZAEVFLOKPIS-YRGRVCCFSA-N -1 1 350.419 -0.277 20 0 FBADMM CCC(C)(C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001192375333 840920576 /nfs/dbraw/zinc/92/05/76/840920576.db2.gz YGSOICBCPISTCL-DGCLKSJQSA-N -1 1 350.419 -0.133 20 0 FBADMM CCOC(=O)c1n[n-]c([C@@H](C)NS(=O)(=O)C(COC)COC)n1 ZINC001192375565 840920167 /nfs/dbraw/zinc/92/01/67/840920167.db2.gz ADSZDYDCLOKGMD-MRVPVSSYSA-N -1 1 350.397 -0.377 20 0 FBADMM CCOC(=O)c1nc([C@@H](C)NS(=O)(=O)C(COC)COC)n[n-]1 ZINC001192375565 840920164 /nfs/dbraw/zinc/92/01/64/840920164.db2.gz ADSZDYDCLOKGMD-MRVPVSSYSA-N -1 1 350.397 -0.377 20 0 FBADMM CCOC(=O)c1nnc([C@@H](C)NS(=O)(=O)C(COC)COC)[n-]1 ZINC001192375565 840920161 /nfs/dbraw/zinc/92/01/61/840920161.db2.gz ADSZDYDCLOKGMD-MRVPVSSYSA-N -1 1 350.397 -0.377 20 0 FBADMM CCOC(=O)c1n[n-]c([C@H](C)NS(=O)(=O)C(COC)COC)n1 ZINC001192375566 840920690 /nfs/dbraw/zinc/92/06/90/840920690.db2.gz ADSZDYDCLOKGMD-QMMMGPOBSA-N -1 1 350.397 -0.377 20 0 FBADMM CCOC(=O)c1nc([C@H](C)NS(=O)(=O)C(COC)COC)n[n-]1 ZINC001192375566 840920683 /nfs/dbraw/zinc/92/06/83/840920683.db2.gz ADSZDYDCLOKGMD-QMMMGPOBSA-N -1 1 350.397 -0.377 20 0 FBADMM CCOC(=O)c1nnc([C@H](C)NS(=O)(=O)C(COC)COC)[n-]1 ZINC001192375566 840920675 /nfs/dbraw/zinc/92/06/75/840920675.db2.gz ADSZDYDCLOKGMD-QMMMGPOBSA-N -1 1 350.397 -0.377 20 0 FBADMM CCOC(=O)c1n[n-]c([C@@H](C)NS(=O)(=O)N(C)C2CCOCC2)n1 ZINC001192378395 840920625 /nfs/dbraw/zinc/92/06/25/840920625.db2.gz RCZQSWQHUSQARM-SECBINFHSA-N -1 1 361.424 -0.012 20 0 FBADMM CCOC(=O)c1nnc([C@@H](C)NS(=O)(=O)N(C)C2CCOCC2)[n-]1 ZINC001192378395 840920615 /nfs/dbraw/zinc/92/06/15/840920615.db2.gz RCZQSWQHUSQARM-SECBINFHSA-N -1 1 361.424 -0.012 20 0 FBADMM CCOC(=O)c1nc([C@@H](C)NS(=O)(=O)N(C)C2CCOCC2)n[n-]1 ZINC001192378395 840920607 /nfs/dbraw/zinc/92/06/07/840920607.db2.gz RCZQSWQHUSQARM-SECBINFHSA-N -1 1 361.424 -0.012 20 0 FBADMM CCOC(=O)c1n[n-]c([C@H](C)NS(=O)(=O)N(C)C2CCOCC2)n1 ZINC001192378398 840920089 /nfs/dbraw/zinc/92/00/89/840920089.db2.gz RCZQSWQHUSQARM-VIFPVBQESA-N -1 1 361.424 -0.012 20 0 FBADMM CCOC(=O)c1nnc([C@H](C)NS(=O)(=O)N(C)C2CCOCC2)[n-]1 ZINC001192378398 840920081 /nfs/dbraw/zinc/92/00/81/840920081.db2.gz RCZQSWQHUSQARM-VIFPVBQESA-N -1 1 361.424 -0.012 20 0 FBADMM CCOC(=O)c1nc([C@H](C)NS(=O)(=O)N(C)C2CCOCC2)n[n-]1 ZINC001192378398 840920076 /nfs/dbraw/zinc/92/00/76/840920076.db2.gz RCZQSWQHUSQARM-VIFPVBQESA-N -1 1 361.424 -0.012 20 0 FBADMM COC(=O)c1ccc(O)c(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1 ZINC001192395985 840927704 /nfs/dbraw/zinc/92/77/04/840927704.db2.gz KKDYTTQFYDMZMY-WKEGUHRASA-N -1 1 358.328 -0.689 20 0 FBADMM CCCCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001192419445 840922883 /nfs/dbraw/zinc/92/28/83/840922883.db2.gz CXUGIACOYLONIC-OUCADQQQSA-N -1 1 350.419 -0.133 20 0 FBADMM CCCCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001192419446 840923252 /nfs/dbraw/zinc/92/32/52/840923252.db2.gz CXUGIACOYLONIC-YRGRVCCFSA-N -1 1 350.419 -0.133 20 0 FBADMM CCC(CC)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001192419681 840923415 /nfs/dbraw/zinc/92/34/15/840923415.db2.gz GMGUTVODQYMLKQ-TZMCWYRMSA-N -1 1 350.419 -0.133 20 0 FBADMM CC(C)CNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001192419838 840923636 /nfs/dbraw/zinc/92/36/36/840923636.db2.gz JEKPIPCOZWXZLK-OUCADQQQSA-N -1 1 350.419 -0.277 20 0 FBADMM CC(C)CNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001192419839 840923851 /nfs/dbraw/zinc/92/38/51/840923851.db2.gz JEKPIPCOZWXZLK-YRGRVCCFSA-N -1 1 350.419 -0.277 20 0 FBADMM CCS(=O)(=O)CCCN1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001192420116 840922787 /nfs/dbraw/zinc/92/27/87/840922787.db2.gz LDPCFLZOXVKNCT-DGCLKSJQSA-N -1 1 357.432 -0.613 20 0 FBADMM C[C@@H](CN1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1)CS(C)(=O)=O ZINC001192420158 840923562 /nfs/dbraw/zinc/92/35/62/840923562.db2.gz 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C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCS(=O)(=O)C2)o1 ZINC001261120737 846489694 /nfs/dbraw/zinc/48/96/94/846489694.db2.gz PYYQNKKVQOXDCY-SECBINFHSA-N -1 1 350.418 -0.258 20 0 FBADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)o1 ZINC001261120738 846489786 /nfs/dbraw/zinc/48/97/86/846489786.db2.gz PYYQNKKVQOXDCY-VIFPVBQESA-N -1 1 350.418 -0.258 20 0 FBADMM Cn1nncc1NC(=O)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001261203352 846510594 /nfs/dbraw/zinc/51/05/94/846510594.db2.gz XJOZQOBWAKHALG-UHFFFAOYSA-N -1 1 362.312 -0.329 20 0 FBADMM Cn1cc(S(=O)(=O)[N-]CC2(C(N)=O)CCOCC2)c(C(F)(F)F)n1 ZINC001261236330 846514990 /nfs/dbraw/zinc/51/49/90/846514990.db2.gz FBELKHHGULIKNF-UHFFFAOYSA-N -1 1 370.353 -0.001 20 0 FBADMM COC(=O)CN(C)CC[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC001261237348 846515077 /nfs/dbraw/zinc/51/50/77/846515077.db2.gz OYGXYWIWQJZWCB-UHFFFAOYSA-N -1 1 358.342 -0.178 20 0 FBADMM CN(Cc1ccccc1S(N)(=O)=O)C(=O)CCn1cc[n-]c(=O)c1=O ZINC001261248477 846517347 /nfs/dbraw/zinc/51/73/47/846517347.db2.gz JGFRNXUXMQKYNZ-UHFFFAOYSA-N -1 1 366.399 -0.767 20 0 FBADMM C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001261251485 846517950 /nfs/dbraw/zinc/51/79/50/846517950.db2.gz AFUKSYVPARELLJ-MRVPVSSYSA-N -1 1 365.423 -0.488 20 0 FBADMM C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001261251486 846518607 /nfs/dbraw/zinc/51/86/07/846518607.db2.gz AFUKSYVPARELLJ-QMMMGPOBSA-N -1 1 365.423 -0.488 20 0 FBADMM COC(=O)C1([N-]S(=O)(=O)CCOCC2CC2)CCS(=O)(=O)CC1 ZINC001261439513 846533909 /nfs/dbraw/zinc/53/39/09/846533909.db2.gz MCBZBWPRQCVYFC-UHFFFAOYSA-N -1 1 369.461 -0.547 20 0 FBADMM O=C([N-]CC1CCN(C(=O)C(=O)N2CCC[C@@H](O)C2)CC1)C(F)(F)F ZINC001261518820 846555599 /nfs/dbraw/zinc/55/55/99/846555599.db2.gz FEWCXTNFUMWXFM-LLVKDONJSA-N -1 1 365.352 -0.113 20 0 FBADMM Cc1cc(C(N)=O)cc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c1 ZINC001261578146 846568586 /nfs/dbraw/zinc/56/85/86/846568586.db2.gz UDHFXERGXKXZNP-UHFFFAOYSA-N -1 1 355.416 -0.125 20 0 FBADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2CCN(CCC(=O)OC)C2=O)co1 ZINC001261587030 846570476 /nfs/dbraw/zinc/57/04/76/846570476.db2.gz QVXOCDFRQDGDMH-JTQLQIEISA-N -1 1 374.371 -0.492 20 0 FBADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H]2CCN(CCC(=O)OC)C2=O)co1 ZINC001261587031 846570463 /nfs/dbraw/zinc/57/04/63/846570463.db2.gz QVXOCDFRQDGDMH-SNVBAGLBSA-N -1 1 374.371 -0.492 20 0 FBADMM C[C@@H]1CCN(C(=O)C(=O)N2CCC(O)CC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001261629875 846583235 /nfs/dbraw/zinc/58/32/35/846583235.db2.gz TXXUINGTXLGOGZ-KOLCDFICSA-N -1 1 365.352 -0.115 20 0 FBADMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)CCc1nnc[nH]1 ZINC001261636212 846586653 /nfs/dbraw/zinc/58/66/53/846586653.db2.gz CBMFQYHSLUIKEC-GMSGAONNSA-N -1 1 363.296 -0.140 20 0 FBADMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CCc1nnc[nH]1 ZINC001261636213 846586377 /nfs/dbraw/zinc/58/63/77/846586377.db2.gz CBMFQYHSLUIKEC-OIBJUYFYSA-N -1 1 363.296 -0.140 20 0 FBADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)CCc1nnc[nH]1 ZINC001261636214 846586630 /nfs/dbraw/zinc/58/66/30/846586630.db2.gz CBMFQYHSLUIKEC-XCBNKYQSSA-N -1 1 363.296 -0.140 20 0 FBADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CCc1nnc[nH]1 ZINC001261636215 846586833 /nfs/dbraw/zinc/58/68/33/846586833.db2.gz CBMFQYHSLUIKEC-XVKPBYJWSA-N -1 1 363.296 -0.140 20 0 FBADMM C[C@H](NC(=O)CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C(=O)N1CCCCC1 ZINC001261642858 846587488 /nfs/dbraw/zinc/58/74/88/846587488.db2.gz XNTMYPSAHNMXRN-OGHNNQOOSA-N -1 1 353.419 -0.463 20 0 FBADMM C[C@@H](NC(=O)CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C(=O)N1CCCCC1 ZINC001261642859 846587961 /nfs/dbraw/zinc/58/79/61/846587961.db2.gz XNTMYPSAHNMXRN-PBFPGSCMSA-N -1 1 353.419 -0.463 20 0 FBADMM CCOC(=O)N1CCN(C(=O)[C@@H](C)S(=O)(=O)c2n[n-]c(C)n2)CC1 ZINC001261647198 846588973 /nfs/dbraw/zinc/58/89/73/846588973.db2.gz MEMCHJQKGZCQRM-SECBINFHSA-N -1 1 359.408 -0.424 20 0 FBADMM CCOC(=O)N1CCN(C(=O)[C@H](C)S(=O)(=O)c2n[n-]c(C)n2)CC1 ZINC001261647199 846588815 /nfs/dbraw/zinc/58/88/15/846588815.db2.gz MEMCHJQKGZCQRM-VIFPVBQESA-N -1 1 359.408 -0.424 20 0 FBADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@]3(C2)CCCOC3)o1 ZINC001261740589 846609846 /nfs/dbraw/zinc/60/98/46/846609846.db2.gz HLMWXZDECGZIGZ-HNNXBMFYSA-N -1 1 371.415 -0.314 20 0 FBADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(C2)CCCOC3)o1 ZINC001261740590 846610082 /nfs/dbraw/zinc/61/00/82/846610082.db2.gz HLMWXZDECGZIGZ-OAHLLOKOSA-N -1 1 371.415 -0.314 20 0 FBADMM CCNC(=O)CNC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC001261747611 846611048 /nfs/dbraw/zinc/61/10/48/846611048.db2.gz SOEZGPQLTPXELS-UHFFFAOYSA-N -1 1 351.407 -0.488 20 0 FBADMM Cc1cc(=O)n2[n-]c(NC(=O)CCCS(=O)(=O)N3CCCC3)nc2n1 ZINC001261779856 846616119 /nfs/dbraw/zinc/61/61/19/846616119.db2.gz YJDCIFWZBBGZTM-UHFFFAOYSA-N -1 1 368.419 -0.130 20 0 FBADMM CCc1cc(=O)n2[n-]c(NC(=O)CCN3CCCS3(=O)=O)nc2n1 ZINC001261781584 846616048 /nfs/dbraw/zinc/61/60/48/846616048.db2.gz ZQINELLKZHTIPF-UHFFFAOYSA-N -1 1 354.392 -0.656 20 0 FBADMM CSc1nc(C)c(CCC(=O)NN2CCS(=O)(=O)CC2)c(=O)[n-]1 ZINC001261831575 846630806 /nfs/dbraw/zinc/63/08/06/846630806.db2.gz JVPBZBFVGXLMME-UHFFFAOYSA-N -1 1 360.461 -0.093 20 0 FBADMM COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001261832464 846630268 /nfs/dbraw/zinc/63/02/68/846630268.db2.gz OSLXGWVIBMITRK-BDAKNGLRSA-N -1 1 355.347 -0.016 20 0 FBADMM COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001261832465 846630840 /nfs/dbraw/zinc/63/08/40/846630840.db2.gz OSLXGWVIBMITRK-DTWKUNHWSA-N -1 1 355.347 -0.016 20 0 FBADMM COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001261832466 846631808 /nfs/dbraw/zinc/63/18/08/846631808.db2.gz OSLXGWVIBMITRK-IUCAKERBSA-N -1 1 355.347 -0.016 20 0 FBADMM COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001261832467 846631457 /nfs/dbraw/zinc/63/14/57/846631457.db2.gz OSLXGWVIBMITRK-RKDXNWHRSA-N -1 1 355.347 -0.016 20 0 FBADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](CCF)C2)o1 ZINC001261833401 846631617 /nfs/dbraw/zinc/63/16/17/846631617.db2.gz WRQLNJGGTZRROM-SECBINFHSA-N -1 1 363.367 -0.756 20 0 FBADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](CCF)C2)o1 ZINC001261833402 846631940 /nfs/dbraw/zinc/63/19/40/846631940.db2.gz WRQLNJGGTZRROM-VIFPVBQESA-N -1 1 363.367 -0.756 20 0 FBADMM CNS(=O)(=O)c1ccc(N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)nc1 ZINC001261834484 846631533 /nfs/dbraw/zinc/63/15/33/846631533.db2.gz LLPAFYNZJXVKCM-HNNXBMFYSA-N -1 1 370.431 -0.645 20 0 FBADMM CNS(=O)(=O)c1ccc(N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)nc1 ZINC001261834485 846631388 /nfs/dbraw/zinc/63/13/88/846631388.db2.gz LLPAFYNZJXVKCM-OAHLLOKOSA-N -1 1 370.431 -0.645 20 0 FBADMM O=C([O-])[C@@]1(N2CCN(C(=O)CC(=O)NCC(F)(F)F)CC2)CCOC1 ZINC001261843698 846634632 /nfs/dbraw/zinc/63/46/32/846634632.db2.gz OJWDECOFKWAKBB-CYBMUJFWSA-N -1 1 367.324 -0.557 20 0 FBADMM O=C([O-])[C@]1(N2CCN(C(=O)CC(=O)NCC(F)(F)F)CC2)CCOC1 ZINC001261843699 846634952 /nfs/dbraw/zinc/63/49/52/846634952.db2.gz OJWDECOFKWAKBB-ZDUSSCGKSA-N -1 1 367.324 -0.557 20 0 FBADMM CN(CC(C)(C)O)C(=O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001261862920 846639384 /nfs/dbraw/zinc/63/93/84/846639384.db2.gz LPLIZMGXRONXBT-CYBMUJFWSA-N -1 1 353.341 -0.115 20 0 FBADMM CN(CC(C)(C)O)C(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001261862921 846639685 /nfs/dbraw/zinc/63/96/85/846639685.db2.gz LPLIZMGXRONXBT-ZDUSSCGKSA-N -1 1 353.341 -0.115 20 0 FBADMM CN(CCCCO)C(=O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001261863484 846639665 /nfs/dbraw/zinc/63/96/65/846639665.db2.gz CEQXDULCGTYLOU-CYBMUJFWSA-N -1 1 353.341 -0.113 20 0 FBADMM CN(CCCCO)C(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001261863485 846639923 /nfs/dbraw/zinc/63/99/23/846639923.db2.gz CEQXDULCGTYLOU-ZDUSSCGKSA-N -1 1 353.341 -0.113 20 0 FBADMM CN(C(=O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)[C@@H]1CCNC1=O ZINC001261865139 846640527 /nfs/dbraw/zinc/64/05/27/846640527.db2.gz VXSMREAPZPFSDY-AMIZOPFISA-N -1 1 364.324 -0.997 20 0 FBADMM CN(C(=O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)[C@H]1CCNC1=O ZINC001261865140 846640633 /nfs/dbraw/zinc/64/06/33/846640633.db2.gz VXSMREAPZPFSDY-ISVAXAHUSA-N -1 1 364.324 -0.997 20 0 FBADMM CN(C(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)[C@@H]1CCNC1=O ZINC001261865141 846640959 /nfs/dbraw/zinc/64/09/59/846640959.db2.gz VXSMREAPZPFSDY-OQPBUACISA-N -1 1 364.324 -0.997 20 0 FBADMM CN(C(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)[C@H]1CCNC1=O ZINC001261865142 846640814 /nfs/dbraw/zinc/64/08/14/846640814.db2.gz VXSMREAPZPFSDY-SDBXPKJASA-N -1 1 364.324 -0.997 20 0 FBADMM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)CC(=O)N1 ZINC001261873812 846644944 /nfs/dbraw/zinc/64/49/44/846644944.db2.gz JMXJDAMKNGXCCR-AMIZOPFISA-N -1 1 364.324 -0.997 20 0 FBADMM C[C@H]1CN(C(=O)C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)CC(=O)N1 ZINC001261873813 846644940 /nfs/dbraw/zinc/64/49/40/846644940.db2.gz JMXJDAMKNGXCCR-ISVAXAHUSA-N -1 1 364.324 -0.997 20 0 FBADMM 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CC(C)OC(=O)CN1CC[C@@]2(CCCN2C(=O)Cc2nn[n-]n2)C1=O ZINC001271183702 836327976 /nfs/dbraw/zinc/32/79/76/836327976.db2.gz NZYYECXQDVTCCN-HNNXBMFYSA-N -1 1 350.379 -0.713 20 0 FBADMM CC(C)OC(=O)CN1CC[C@]2(CCCN2C(=O)Cc2nn[n-]n2)C1=O ZINC001271183705 836329681 /nfs/dbraw/zinc/32/96/81/836329681.db2.gz NZYYECXQDVTCCN-OAHLLOKOSA-N -1 1 350.379 -0.713 20 0 FBADMM Cc1nc(CN2C(=O)COCC23CN(C(=O)Cc2nn[n-]n2)C3)cs1 ZINC001271183729 836330130 /nfs/dbraw/zinc/33/01/30/836330130.db2.gz OGYAZLAGZFREGU-UHFFFAOYSA-N -1 1 363.403 -0.853 20 0 FBADMM COC(CNC(=O)[C@@H]1CC12CCN(C(=O)Cc1nn[n-]n1)CC2)OC ZINC001271183882 836330429 /nfs/dbraw/zinc/33/04/29/836330429.db2.gz OOTMNTBRYFYJRU-JTQLQIEISA-N -1 1 352.395 -0.894 20 0 FBADMM COC(CNC(=O)[C@H]1CC12CCN(C(=O)Cc1nn[n-]n1)CC2)OC ZINC001271183885 836329292 /nfs/dbraw/zinc/32/92/92/836329292.db2.gz OOTMNTBRYFYJRU-SNVBAGLBSA-N -1 1 352.395 -0.894 20 0 FBADMM CCOC(=O)[C@@H]1CN(C)C(=O)C12CCN(C(=O)Cc1nn[n-]n1)CC2 ZINC001271184148 836328865 /nfs/dbraw/zinc/32/88/65/836328865.db2.gz SLQZHORGSAEOKJ-JTQLQIEISA-N -1 1 350.379 -0.998 20 0 FBADMM CCOC(=O)[C@H]1CN(C)C(=O)C12CCN(C(=O)Cc1nn[n-]n1)CC2 ZINC001271184149 836329411 /nfs/dbraw/zinc/32/94/11/836329411.db2.gz SLQZHORGSAEOKJ-SNVBAGLBSA-N -1 1 350.379 -0.998 20 0 FBADMM O=C(Cc1nn[n-]n1)N1C[C@@]2(F)C(=O)N(CC(F)(F)F)C[C@@]2(F)C1 ZINC001271184392 836329099 /nfs/dbraw/zinc/32/90/99/836329099.db2.gz SIKCPRWSTGYXPM-VHSXEESVSA-N -1 1 354.239 -0.595 20 0 FBADMM COCCOCNC(=O)[C@H]1CC12CCN(C(=O)Cc1nn[n-]n1)CC2 ZINC001271184398 836328790 /nfs/dbraw/zinc/32/87/90/836328790.db2.gz SINZVUJRJUHMGN-LLVKDONJSA-N -1 1 352.395 -0.892 20 0 FBADMM COCCOCNC(=O)[C@@H]1CC12CCN(C(=O)Cc1nn[n-]n1)CC2 ZINC001271184401 836329934 /nfs/dbraw/zinc/32/99/34/836329934.db2.gz SINZVUJRJUHMGN-NSHDSACASA-N -1 1 352.395 -0.892 20 0 FBADMM CC(C)OC(=O)CN1CC[C@@]2(CCN(C(=O)Cc3nn[n-]n3)C2)C1=O ZINC001271184452 836330078 /nfs/dbraw/zinc/33/00/78/836330078.db2.gz TYSBBQPDUBNJOK-HNNXBMFYSA-N -1 1 350.379 -0.855 20 0 FBADMM CC(C)OC(=O)CN1CC[C@]2(CCN(C(=O)Cc3nn[n-]n3)C2)C1=O ZINC001271184455 836329805 /nfs/dbraw/zinc/32/98/05/836329805.db2.gz TYSBBQPDUBNJOK-OAHLLOKOSA-N -1 1 350.379 -0.855 20 0 FBADMM COC(C)(C)CNC(=O)[C@H]1CC12CCN(C(=O)Cc1nn[n-]n1)CC2 ZINC001271184477 836329251 /nfs/dbraw/zinc/32/92/51/836329251.db2.gz XQHLRZUIRLPIJA-LLVKDONJSA-N -1 1 350.423 -0.088 20 0 FBADMM COC(C)(C)CNC(=O)[C@@H]1CC12CCN(C(=O)Cc1nn[n-]n1)CC2 ZINC001271184480 836330007 /nfs/dbraw/zinc/33/00/07/836330007.db2.gz XQHLRZUIRLPIJA-NSHDSACASA-N -1 1 350.423 -0.088 20 0 FBADMM O=C(Cc1nn[n-]n1)N1CCOC[C@]2(CC(=O)N(CC(F)(F)F)C2)C1 ZINC001271184548 836329902 /nfs/dbraw/zinc/32/99/02/836329902.db2.gz UUFXGKACRQDWKL-GFCCVEGCSA-N -1 1 362.312 -0.618 20 0 FBADMM O=C(Cc1nn[n-]n1)N1CCOC[C@@]2(CC(=O)N(CC(F)(F)F)C2)C1 ZINC001271184549 836329557 /nfs/dbraw/zinc/32/95/57/836329557.db2.gz UUFXGKACRQDWKL-LBPRGKRZSA-N -1 1 362.312 -0.618 20 0 FBADMM COC(=O)[C@@H](C)CN1CC[C@@]2(CCCN2C(=O)Cc2nn[n-]n2)C1=O ZINC001271184743 836329711 /nfs/dbraw/zinc/32/97/11/836329711.db2.gz VOJQNTBBKAMLPE-BONVTDFDSA-N -1 1 350.379 -0.855 20 0 FBADMM COC(=O)[C@@H](C)CN1CC[C@]2(CCCN2C(=O)Cc2nn[n-]n2)C1=O ZINC001271184744 836330388 /nfs/dbraw/zinc/33/03/88/836330388.db2.gz VOJQNTBBKAMLPE-ZUZCIYMTSA-N -1 1 350.379 -0.855 20 0 FBADMM O=C(Cc1nn[n-]n1)N1CCC[C@@]2(CC(=O)N(CC(F)(F)F)C2=O)C1 ZINC001271184754 836330276 /nfs/dbraw/zinc/33/02/76/836330276.db2.gz WBUVBSZBAWMMKE-GFCCVEGCSA-N -1 1 360.296 -0.328 20 0 FBADMM O=C(Cc1nn[n-]n1)N1CCC[C@]2(CC(=O)N(CC(F)(F)F)C2=O)C1 ZINC001271184755 836328983 /nfs/dbraw/zinc/32/89/83/836328983.db2.gz WBUVBSZBAWMMKE-LBPRGKRZSA-N -1 1 360.296 -0.328 20 0 FBADMM COC(CN1CCC2(CCN(C(=O)Cc3nn[n-]n3)CC2)C1=O)OC ZINC001271184763 836330032 /nfs/dbraw/zinc/33/00/32/836330032.db2.gz WJDNIZXAWBKRPW-UHFFFAOYSA-N -1 1 352.395 -0.798 20 0 FBADMM CC(C)OC(=O)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1nn[n-]n1 ZINC001271184780 836329326 /nfs/dbraw/zinc/32/93/26/836329326.db2.gz XEUPPMVDMDRYED-GHMZBOCLSA-N -1 1 350.379 -0.714 20 0 FBADMM COCCOCN1C[C@@]2(CC1=O)CCCCN2C(=O)Cc1nn[n-]n1 ZINC001271184789 836329583 /nfs/dbraw/zinc/32/95/83/836329583.db2.gz XKEAISLJQYPPDS-HNNXBMFYSA-N -1 1 352.395 -0.654 20 0 FBADMM COCCOCN1C[C@]2(CC1=O)CCCCN2C(=O)Cc1nn[n-]n1 ZINC001271184790 836328820 /nfs/dbraw/zinc/32/88/20/836328820.db2.gz XKEAISLJQYPPDS-OAHLLOKOSA-N -1 1 352.395 -0.654 20 0 FBADMM COCCOCN1CCC2(CCN(C(=O)Cc3nn[n-]n3)CC2)C1=O ZINC001271184946 836330345 /nfs/dbraw/zinc/33/03/45/836330345.db2.gz ZESFTXSJKHGEMR-UHFFFAOYSA-N -1 1 352.395 -0.796 20 0 FBADMM COC(=O)[C@@H](C)CN1CC[C@@]2(CCN(C(=O)Cc3nn[n-]n3)C2)C1=O ZINC001271184953 836329650 /nfs/dbraw/zinc/32/96/50/836329650.db2.gz ZMLJDEUEFIAFLA-BONVTDFDSA-N -1 1 350.379 -0.998 20 0 FBADMM COC(=O)[C@@H](C)CN1CC[C@]2(CCN(C(=O)Cc3nn[n-]n3)C2)C1=O ZINC001271184954 836329478 /nfs/dbraw/zinc/32/94/78/836329478.db2.gz ZMLJDEUEFIAFLA-ZUZCIYMTSA-N -1 1 350.379 -0.998 20 0 FBADMM CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)c3ccc([O-])cn3)C[C@H]21 ZINC001271767930 836389798 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CS(=O)(=O)CCNC(=O)C12CC(NC(=O)c3ccc([O-])cn3)(C1)C2 ZINC001272122224 836492021 /nfs/dbraw/zinc/49/20/21/836492021.db2.gz OEQUIVGOJFQNCL-UHFFFAOYSA-N -1 1 353.400 -0.400 20 0 FBADMM CS(=O)(=O)CCNC(=O)[C@H]1CC12CN(C(=O)c1ccc([O-])cn1)C2 ZINC001272123134 836491686 /nfs/dbraw/zinc/49/16/86/836491686.db2.gz VQVMSZILOOXUFD-LLVKDONJSA-N -1 1 353.400 -0.590 20 0 FBADMM CS(=O)(=O)CCNC(=O)[C@@H]1CC12CN(C(=O)c1ccc([O-])cn1)C2 ZINC001272123136 836491644 /nfs/dbraw/zinc/49/16/44/836491644.db2.gz VQVMSZILOOXUFD-NSHDSACASA-N -1 1 353.400 -0.590 20 0 FBADMM CS(=O)(=O)CCNC(=O)[C@@]12C[C@@H]1CN(C(=O)c1ccc([O-])cn1)C2 ZINC001272123167 836491978 /nfs/dbraw/zinc/49/19/78/836491978.db2.gz VVIZEVULMGZPLL-MEBBXXQBSA-N -1 1 353.400 -0.590 20 0 FBADMM O=C(Cc1nn[n-]n1)N1CC2(CCN2C(=O)Cn2cc(Cl)cn2)C1 ZINC001272169371 836495880 /nfs/dbraw/zinc/49/58/80/836495880.db2.gz AIYNONUYSONUID-UHFFFAOYSA-N -1 1 350.770 -0.894 20 0 FBADMM O=C(Cn1cc(Cl)cn1)N1[C@@H]2CC[C@H]1CN(C(=O)Cc1nn[n-]n1)C2 ZINC001272169411 836495860 /nfs/dbraw/zinc/49/58/60/836495860.db2.gz BOAUIRMQVDTIOX-PHIMTYICSA-N -1 1 364.797 -0.506 20 0 FBADMM O=C(Cc1nn[n-]n1)N1C[C@@H]2[C@H](C1)OCCN2C(=O)Cc1ccsc1 ZINC001272169456 836496058 /nfs/dbraw/zinc/49/60/58/836496058.db2.gz CPVXMVFDHAHDIY-NEPJUHHUSA-N -1 1 362.415 -0.515 20 0 FBADMM O=C(Cc1nn[n-]n1)N1C[C@@H]2OCCN(C(=O)Cc3ccsc3)[C@H]2C1 ZINC001272169458 836495845 /nfs/dbraw/zinc/49/58/45/836495845.db2.gz CPVXMVFDHAHDIY-RYUDHWBXSA-N -1 1 362.415 -0.515 20 0 FBADMM O=C(Cc1nn[n-]n1)N1C[C@@H]2COC[C@H](C1)N2C(=O)Cc1ccsc1 ZINC001272169698 836496091 /nfs/dbraw/zinc/49/60/91/836496091.db2.gz DQEIVADQGVQGML-TXEJJXNPSA-N -1 1 362.415 -0.515 20 0 FBADMM O=C(Cc1nn[n-]n1)N1[C@@H]2CC[C@H]1CN(C(=O)Cn1cc(Cl)cn1)C2 ZINC001272169746 836495716 /nfs/dbraw/zinc/49/57/16/836495716.db2.gz FNMMPLSVKDBUCR-PHIMTYICSA-N -1 1 364.797 -0.506 20 0 FBADMM O=C(Cc1nn[n-]n1)N1C[C@@H]2C[C@H]1CN(C(=O)Cn1cc(Cl)cn1)C2 ZINC001272170139 836496054 /nfs/dbraw/zinc/49/60/54/836496054.db2.gz IFVQLALMRUYVDR-KOLCDFICSA-N -1 1 364.797 -0.648 20 0 FBADMM O=C(Cc1ccsc1)N1C[C@@H]2CN(C(=O)Cc3nn[n-]n3)C[C@H](C1)O2 ZINC001272170432 836495967 /nfs/dbraw/zinc/49/59/67/836495967.db2.gz OSMKZUONNOCCSR-TXEJJXNPSA-N -1 1 362.415 -0.515 20 0 FBADMM O=C(Cc1ccsc1)N1C[C@@H]2COC[C@H](C1)N2C(=O)Cc1nn[n-]n1 ZINC001272170434 836495829 /nfs/dbraw/zinc/49/58/29/836495829.db2.gz OVBZKKIVWMKYOU-TXEJJXNPSA-N -1 1 362.415 -0.515 20 0 FBADMM O=C(Cc1nn[n-]n1)N1CC[C@H]2CN(C(=O)Cn3cc(Cl)cn3)C[C@H]21 ZINC001272170556 836496111 /nfs/dbraw/zinc/49/61/11/836496111.db2.gz SHMFQYYGPOQYRF-GXSJLCMTSA-N -1 1 364.797 -0.648 20 0 FBADMM COCCOCN1CCO[C@@]2(CCCN(C(=O)Cc3nn[n-]n3)C2)C1 ZINC001272170628 836496102 /nfs/dbraw/zinc/49/61/02/836496102.db2.gz VSHBKCFPOZGUEM-HNNXBMFYSA-N -1 1 354.411 -0.944 20 0 FBADMM COCCOCN1CCO[C@]2(CCCN(C(=O)Cc3nn[n-]n3)C2)C1 ZINC001272170629 836496136 /nfs/dbraw/zinc/49/61/36/836496136.db2.gz VSHBKCFPOZGUEM-OAHLLOKOSA-N -1 1 354.411 -0.944 20 0 FBADMM O=C(Cc1nn[n-]n1)N1[C@@H]2C[C@H]1CN(C(=O)Cn1cc(Cl)cn1)C2 ZINC001272170657 836496167 /nfs/dbraw/zinc/49/61/67/836496167.db2.gz WPLYAUQFUASQLW-AOOOYVTPSA-N -1 1 350.770 -0.896 20 0 FBADMM O=C(Cc1nn[n-]n1)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc(Cl)cn1 ZINC001272170668 836496207 /nfs/dbraw/zinc/49/62/07/836496207.db2.gz WYKVJBMLVVEDNM-QWRGUYRKSA-N -1 1 364.797 -0.506 20 0 FBADMM O=C(Cc1nn[n-]n1)N1CC2(C1)CCN(C(=O)Cn1cc(Cl)cn1)C2 ZINC001272170709 836495767 /nfs/dbraw/zinc/49/57/67/836495767.db2.gz XWYTUJALHKGYJD-UHFFFAOYSA-N -1 1 364.797 -0.647 20 0 FBADMM O=C(Cc1nn[n-]n1)N1CCC2(CN(C(=O)NCC(F)(F)F)C2)CC1 ZINC001272171496 836495935 /nfs/dbraw/zinc/49/59/35/836495935.db2.gz AVBZSSCGSYGAGQ-UHFFFAOYSA-N -1 1 361.328 -0.062 20 0 FBADMM CN(C)S(=O)(=O)N1CCCC2(CCN(C(=O)Cc3nn[n-]n3)CC2)C1 ZINC001272171554 836495786 /nfs/dbraw/zinc/49/57/86/836495786.db2.gz DBWMCLJTSPYZHE-UHFFFAOYSA-N -1 1 371.467 -0.747 20 0 FBADMM CC(C)NC(=O)N1CCO[C@]2(CCCN(C(=O)Cc3nn[n-]n3)C2)C1 ZINC001272171882 836496045 /nfs/dbraw/zinc/49/60/45/836496045.db2.gz JACGNWSCUUZUJB-HNNXBMFYSA-N -1 1 351.411 -0.446 20 0 FBADMM CC(C)NC(=O)N1CCO[C@@]2(CCCN(C(=O)Cc3nn[n-]n3)C2)C1 ZINC001272171886 836496006 /nfs/dbraw/zinc/49/60/06/836496006.db2.gz JACGNWSCUUZUJB-OAHLLOKOSA-N -1 1 351.411 -0.446 20 0 FBADMM CN(C)S(=O)(=O)N1CCC[C@]2(CCCN(C(=O)Cc3nn[n-]n3)C2)C1 ZINC001272171933 836496156 /nfs/dbraw/zinc/49/61/56/836496156.db2.gz KIRDKDKXRJMNDW-AWEZNQCLSA-N -1 1 371.467 -0.747 20 0 FBADMM CN(C)S(=O)(=O)N1CCC[C@@]2(CCCN(C(=O)Cc3nn[n-]n3)C2)C1 ZINC001272171934 836496022 /nfs/dbraw/zinc/49/60/22/836496022.db2.gz KIRDKDKXRJMNDW-CQSZACIVSA-N -1 1 371.467 -0.747 20 0 FBADMM CN(C)S(=O)(=O)N[C@@]12CC[C@@](NC(=O)Cc3nn[n-]n3)(C1)CCC2 ZINC001272172789 836495812 /nfs/dbraw/zinc/49/58/12/836495812.db2.gz WUYJJAYBKROSNG-OLZOCXBDSA-N -1 1 357.440 -0.900 20 0 FBADMM O=C(Cc1nn[n-]n1)N1CCCC2(CN(C(=O)NCC(F)(F)F)C2)C1 ZINC001272172882 836495987 /nfs/dbraw/zinc/49/59/87/836495987.db2.gz YIJCTUVZXGSOSR-UHFFFAOYSA-N -1 1 361.328 -0.062 20 0 FBADMM C[NH+](C)CCN1CC2(C1)CN(C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-])C2 ZINC001272191998 836498196 /nfs/dbraw/zinc/49/81/96/836498196.db2.gz NBAIQZGNFMFXSP-UHFFFAOYSA-N -1 1 369.443 -0.042 20 0 FBADMM CN(C)S(=O)(=O)N1C[C@H]2CN(C(=O)c3ncccc3[O-])C[C@@H](C1)O2 ZINC001272279795 836952207 /nfs/dbraw/zinc/95/22/07/836952207.db2.gz ASKPLEICESFVAX-PHIMTYICSA-N -1 1 356.404 -0.881 20 0 FBADMM CN(C)S(=O)(=O)N1C[C@@H]2COC[C@H](C1)N2C(=O)c1ncccc1[O-] ZINC001272280552 836953536 /nfs/dbraw/zinc/95/35/36/836953536.db2.gz IZZSWFAZMPSNSE-PHIMTYICSA-N -1 1 356.404 -0.881 20 0 FBADMM CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]21 ZINC001272280642 836953435 /nfs/dbraw/zinc/95/34/35/836953435.db2.gz KXCIWIAVBIBXLW-JQWIXIFHSA-N -1 1 356.404 -0.881 20 0 FBADMM CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001272280644 836952941 /nfs/dbraw/zinc/95/29/41/836952941.db2.gz KXCIWIAVBIBXLW-PWSUYJOCSA-N -1 1 356.404 -0.881 20 0 FBADMM Cn1cnc(S(=O)(=O)N2CC3(CN(C(=O)c4ncccc4[O-])C3)C2)c1 ZINC001272280672 836953248 /nfs/dbraw/zinc/95/32/48/836953248.db2.gz LEUWMQDRNQBNPY-UHFFFAOYSA-N -1 1 363.399 -0.333 20 0 FBADMM Cn1cnc(S(=O)(=O)N2CCC23CN(C(=O)c2ncccc2[O-])C3)c1 ZINC001272281033 836953298 /nfs/dbraw/zinc/95/32/98/836953298.db2.gz SJYSSXYZZWPLPK-UHFFFAOYSA-N -1 1 363.399 -0.190 20 0 FBADMM Cn1cnc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)N3C(=O)c2ncccc2[O-])c1 ZINC001272281378 836953450 /nfs/dbraw/zinc/95/34/50/836953450.db2.gz YGNHCBZXDJACBO-PHIMTYICSA-N -1 1 363.399 -0.192 20 0 FBADMM O=C(Cn1nn[n-]c1=S)N1CC[C@H]2CN(Cc3cccc(=O)[nH]3)C[C@H]21 ZINC001272326115 836962292 /nfs/dbraw/zinc/96/22/92/836962292.db2.gz IKUVLCHJRDOOOR-CMPLNLGQSA-N -1 1 361.431 -0.205 20 0 FBADMM O=C(Cn1nn[n-]c1=S)N1CC[C@H]2[C@@H]1CCN2Cc1cccc(=O)[nH]1 ZINC001272326170 836961815 /nfs/dbraw/zinc/96/18/15/836961815.db2.gz IXEUZUQUPWYZAY-RYUDHWBXSA-N -1 1 361.431 -0.062 20 0 FBADMM CN(C)C(=O)CN1CC[C@]2(C1)CCCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001272326897 836963170 /nfs/dbraw/zinc/96/31/70/836963170.db2.gz SBHOIRVXXXSGTP-HNNXBMFYSA-N -1 1 367.479 -0.636 20 0 FBADMM CN(C)C(=O)CN1CC[C@@]2(C1)CCCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001272326898 836962617 /nfs/dbraw/zinc/96/26/17/836962617.db2.gz SBHOIRVXXXSGTP-OAHLLOKOSA-N -1 1 367.479 -0.636 20 0 FBADMM O=C(Cn1nn[n-]c1=S)N1CC2(C1)CCN(Cc1cccc(=O)[nH]1)C2 ZINC001272327062 836962522 /nfs/dbraw/zinc/96/25/22/836962522.db2.gz VBLBFLYAIYSTAD-UHFFFAOYSA-N -1 1 361.431 -0.203 20 0 FBADMM Cc1cc(CN2CCC3(CN(C(=O)Cn4nn[n-]c4=S)C3)C2)n(C)n1 ZINC001272327807 836963984 /nfs/dbraw/zinc/96/39/84/836963984.db2.gz GLJWUFNGLPPEPX-UHFFFAOYSA-N -1 1 362.463 -0.262 20 0 FBADMM O=C(Cn1nn[n-]c1=S)N1CCCC2(CN(CCn3ccnc3)C2)C1 ZINC001272328696 836964245 /nfs/dbraw/zinc/96/42/45/836964245.db2.gz NQYSZOJKSDSJBI-UHFFFAOYSA-N -1 1 362.463 -0.217 20 0 FBADMM COCCOCN1CC[C@H]2CN(C(=O)Cn3nn[n-]c3=S)C[C@H]2CC1 ZINC001272329020 836963998 /nfs/dbraw/zinc/96/39/98/836963998.db2.gz QLOGTMYWVOUJAD-BETUJISGSA-N -1 1 370.479 -0.247 20 0 FBADMM Cc1ncc(CO)c(C(=O)N2CC3(C2)CN(S(=O)(=O)N(C)C)C3)c1[O-] ZINC001272417864 836984595 /nfs/dbraw/zinc/98/45/95/836984595.db2.gz NSGLHSFYVUFBSL-UHFFFAOYSA-N -1 1 370.431 -0.848 20 0 FBADMM Cc1ncc(CO)c(C(=O)N2CC3(CCN3S(=O)(=O)N(C)C)C2)c1[O-] ZINC001272418141 836984566 /nfs/dbraw/zinc/98/45/66/836984566.db2.gz QEFPJXKYLZGUFY-UHFFFAOYSA-N -1 1 370.431 -0.705 20 0 FBADMM COCCOCN1CC2(C1)CN(C(=O)c1c(CO)cnc(C)c1[O-])C2 ZINC001272418918 836986782 /nfs/dbraw/zinc/98/67/82/836986782.db2.gz VTIHSZPADWMADU-UHFFFAOYSA-N -1 1 351.403 -0.034 20 0 FBADMM Cn1ccnc1NC(=O)[C@H]1CCSC12CN(C(=O)Cc1nn[n-]n1)C2 ZINC001272975049 837550111 /nfs/dbraw/zinc/55/01/11/837550111.db2.gz HYSDRWAVIUYXHG-SECBINFHSA-N -1 1 362.419 -0.552 20 0 FBADMM Cn1ccnc1NC(=O)[C@@H]1CCSC12CN(C(=O)Cc1nn[n-]n1)C2 ZINC001272975050 837550874 /nfs/dbraw/zinc/55/08/74/837550874.db2.gz HYSDRWAVIUYXHG-VIFPVBQESA-N -1 1 362.419 -0.552 20 0 FBADMM CC(C)(C)NC(=O)[C@H]1CN(C(=O)Cc2nn[n-]n2)C[C@H]2CCCO[C@H]21 ZINC001272975282 837550803 /nfs/dbraw/zinc/55/08/03/837550803.db2.gz LPSIYTBKIDSESG-UHIISALHSA-N -1 1 350.423 -0.090 20 0 FBADMM O=C(Cc1nn[n-]n1)N1CC2(C1)SCC[C@@H]2C(=O)Nc1nnco1 ZINC001272975853 837550292 /nfs/dbraw/zinc/55/02/92/837550292.db2.gz WJEXYSHBQIJDQK-SSDOTTSWSA-N -1 1 350.364 -0.902 20 0 FBADMM O=C(Cc1nn[n-]n1)N1CC2(C1)SCC[C@H]2C(=O)Nc1nnco1 ZINC001272975854 837550204 /nfs/dbraw/zinc/55/02/04/837550204.db2.gz WJEXYSHBQIJDQK-ZETCQYMHSA-N -1 1 350.364 -0.902 20 0 FBADMM O=C(Cc1nn[n-]n1)N1CC2(C1)SCC[C@H]2C(=O)NCc1c[nH]cn1 ZINC001272977531 837551878 /nfs/dbraw/zinc/55/18/78/837551878.db2.gz BBODXGUHWQYHRX-JTQLQIEISA-N -1 1 362.419 -0.884 20 0 FBADMM O=C(Cc1nn[n-]n1)N1CC2(C1)SCC[C@@H]2C(=O)NCc1c[nH]cn1 ZINC001272977533 837552160 /nfs/dbraw/zinc/55/21/60/837552160.db2.gz BBODXGUHWQYHRX-SNVBAGLBSA-N -1 1 362.419 -0.884 20 0 FBADMM COCCN(C)C(=O)[C@@H]1CCC[C@]12CCN(C(=O)Cc1nn[n-]n1)C2 ZINC001272977954 837553001 /nfs/dbraw/zinc/55/30/01/837553001.db2.gz DRKNFGNQOXWHDI-BLLLJJGKSA-N -1 1 350.423 -0.134 20 0 FBADMM COCCN(C)C(=O)[C@@H]1CCC[C@@]12CCN(C(=O)Cc1nn[n-]n1)C2 ZINC001272977955 837553280 /nfs/dbraw/zinc/55/32/80/837553280.db2.gz DRKNFGNQOXWHDI-LRDDRELGSA-N -1 1 350.423 -0.134 20 0 FBADMM COCCN(C)C(=O)[C@H]1CCC[C@]12CCN(C(=O)Cc1nn[n-]n1)C2 ZINC001272977956 837553187 /nfs/dbraw/zinc/55/31/87/837553187.db2.gz DRKNFGNQOXWHDI-MLGOLLRUSA-N -1 1 350.423 -0.134 20 0 FBADMM COCCN(C)C(=O)[C@H]1CCC[C@@]12CCN(C(=O)Cc1nn[n-]n1)C2 ZINC001272977957 837552949 /nfs/dbraw/zinc/55/29/49/837552949.db2.gz DRKNFGNQOXWHDI-WBMJQRKESA-N -1 1 350.423 -0.134 20 0 FBADMM CCN(C(=O)[C@H]1COCCC12CN(C(=O)Cc1nn[n-]n1)C2)C(C)C ZINC001272978276 837552713 /nfs/dbraw/zinc/55/27/13/837552713.db2.gz FVNCONGWNCXZBF-GFCCVEGCSA-N -1 1 350.423 -0.136 20 0 FBADMM CCN(C(=O)[C@@H]1COCCC12CN(C(=O)Cc1nn[n-]n1)C2)C(C)C ZINC001272978278 837552636 /nfs/dbraw/zinc/55/26/36/837552636.db2.gz FVNCONGWNCXZBF-LBPRGKRZSA-N -1 1 350.423 -0.136 20 0 FBADMM O=C(Cc1nn[n-]n1)N1CC2(C1)SCC[C@H]2C(=O)N1CCCCO1 ZINC001272978448 837553121 /nfs/dbraw/zinc/55/31/21/837553121.db2.gz ICFFYWOZWKEWHB-JTQLQIEISA-N -1 1 352.420 -0.370 20 0 FBADMM O=C(Cc1nn[n-]n1)N1CC2(C1)SCC[C@@H]2C(=O)N1CCCCO1 ZINC001272978449 837552666 /nfs/dbraw/zinc/55/26/66/837552666.db2.gz ICFFYWOZWKEWHB-SNVBAGLBSA-N -1 1 352.420 -0.370 20 0 FBADMM O=C(Cc1nn[n-]n1)N1CC2(C1)CCOC[C@@H]2C(=O)N1CCCCO1 ZINC001272978852 837554619 /nfs/dbraw/zinc/55/46/19/837554619.db2.gz JONQMOVPKNQCMD-LLVKDONJSA-N -1 1 350.379 -0.839 20 0 FBADMM O=C(Cc1nn[n-]n1)N1CC2(C1)CCOC[C@H]2C(=O)N1CCCCO1 ZINC001272978864 837553681 /nfs/dbraw/zinc/55/36/81/837553681.db2.gz JONQMOVPKNQCMD-NSHDSACASA-N -1 1 350.379 -0.839 20 0 FBADMM O=C(Cc1nn[n-]n1)N1C[C@H]2C[C@H](CC(=O)N3CCCCO3)O[C@H]2C1 ZINC001272979569 837554579 /nfs/dbraw/zinc/55/45/79/837554579.db2.gz NFCYNTNZGNDJQM-UTUOFQBUSA-N -1 1 350.379 -0.698 20 0 FBADMM O=C(Cc1nn[n-]n1)N1C[C@H]2C[C@@H](CC(=O)N3CCCCO3)O[C@H]2C1 ZINC001272979570 837553655 /nfs/dbraw/zinc/55/36/55/837553655.db2.gz NFCYNTNZGNDJQM-WOPDTQHZSA-N -1 1 350.379 -0.698 20 0 FBADMM O=C(Cc1nn[n-]n1)N1C[C@H]2CCCO[C@H]2[C@@H](C(=O)NCC(F)F)C1 ZINC001272980061 837553917 /nfs/dbraw/zinc/55/39/17/837553917.db2.gz NJFDKFTTYNIXMN-VYUIOLGVSA-N -1 1 358.349 -0.623 20 0 FBADMM O=C(Cc1nn[n-]n1)N1CC[C@H](C(=O)NCC(F)F)n2nccc2C1 ZINC001272980121 837554504 /nfs/dbraw/zinc/55/45/04/837554504.db2.gz OLBQQJMIWHVTRY-SECBINFHSA-N -1 1 354.321 -0.706 20 0 FBADMM O=C(Cc1nn[n-]n1)N1CC[C@@H](C(=O)NCC(F)F)n2nccc2C1 ZINC001272980122 837554444 /nfs/dbraw/zinc/55/44/44/837554444.db2.gz OLBQQJMIWHVTRY-VIFPVBQESA-N -1 1 354.321 -0.706 20 0 FBADMM O=C(Cc1nn[n-]n1)N1CCc2nc(C(=O)NCC(F)F)ccc2C1 ZINC001272980217 837554264 /nfs/dbraw/zinc/55/42/64/837554264.db2.gz PEJBFRLWIIOREX-UHFFFAOYSA-N -1 1 351.317 -0.283 20 0 FBADMM C[C@@H]1c2nc(C(=O)NCC(F)F)cn2CCN1C(=O)Cc1nn[n-]n1 ZINC001272980748 837554221 /nfs/dbraw/zinc/55/42/21/837554221.db2.gz QSGGKVGGTSFMHA-SSDOTTSWSA-N -1 1 354.321 -0.463 20 0 FBADMM C[C@H]1c2nc(C(=O)NCC(F)F)cn2CCN1C(=O)Cc1nn[n-]n1 ZINC001272980749 837554365 /nfs/dbraw/zinc/55/43/65/837554365.db2.gz QSGGKVGGTSFMHA-ZETCQYMHSA-N -1 1 354.321 -0.463 20 0 FBADMM COCCN(C)C(=O)[C@@H]1CCSC12CN(C(=O)Cc1nn[n-]n1)C2 ZINC001272981168 837555885 /nfs/dbraw/zinc/55/58/85/837555885.db2.gz XYWPTGXMTLFSGP-JTQLQIEISA-N -1 1 354.436 -0.819 20 0 FBADMM COCCN(C)C(=O)[C@H]1CCSC12CN(C(=O)Cc1nn[n-]n1)C2 ZINC001272981169 837554959 /nfs/dbraw/zinc/55/49/59/837554959.db2.gz XYWPTGXMTLFSGP-SNVBAGLBSA-N -1 1 354.436 -0.819 20 0 FBADMM O=C(Cc1nn[n-]n1)N1Cc2ccnn2CC[C@@H]1C(=O)NCC(F)F ZINC001272981230 837555526 /nfs/dbraw/zinc/55/55/26/837555526.db2.gz ZKOGCTSZJLLIBU-SECBINFHSA-N -1 1 354.321 -0.879 20 0 FBADMM O=C(Cc1nn[n-]n1)N1Cc2ccnn2CC[C@H]1C(=O)NCC(F)F ZINC001272981232 837555019 /nfs/dbraw/zinc/55/50/19/837555019.db2.gz ZKOGCTSZJLLIBU-VIFPVBQESA-N -1 1 354.321 -0.879 20 0 FBADMM O=C(Cn1nn[n-]c1=S)N1CCc2n[nH]c(C(=O)N3CC=CC3)c2C1 ZINC001273165483 837794908 /nfs/dbraw/zinc/79/49/08/837794908.db2.gz AEWAKTGTANMCCK-UHFFFAOYSA-N -1 1 360.403 -0.718 20 0 FBADMM O=C(Cn1nn[n-]c1=S)N1CCc2c(n[nH]c2C(=O)N2CC=CC2)C1 ZINC001273165901 837794829 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