smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)CC(F)F ZINC000592067344 398379459 /nfs/dbraw/zinc/37/94/59/398379459.db2.gz FUYKUNQYLRCUMO-MRVPVSSYSA-N -1 3 322.764 2.781 20 30 DFEDHM CN(C)c1cccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000579392163 398380353 /nfs/dbraw/zinc/38/03/53/398380353.db2.gz UHLZDDYNNZCPDV-OAHLLOKOSA-N -1 3 323.400 2.561 20 30 DFEDHM CCc1ccc([C@@H](C#N)NC(=O)c2cccc3nn[n-]c32)cc1 ZINC000579786610 398383361 /nfs/dbraw/zinc/38/33/61/398383361.db2.gz HWWGYJQVJOBONT-OAHLLOKOSA-N -1 3 305.341 2.515 20 30 DFEDHM CCc1ccc([C@@H](C#N)NC(=O)c2cccc3[n-]nnc32)cc1 ZINC000579786610 398383365 /nfs/dbraw/zinc/38/33/65/398383365.db2.gz HWWGYJQVJOBONT-OAHLLOKOSA-N -1 3 305.341 2.515 20 30 DFEDHM CCc1ccc([C@@H](C#N)NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000579786610 398383367 /nfs/dbraw/zinc/38/33/67/398383367.db2.gz HWWGYJQVJOBONT-OAHLLOKOSA-N -1 3 305.341 2.515 20 30 DFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000132054636 334938313 /nfs/dbraw/zinc/93/83/13/334938313.db2.gz MFCDYKISPKBSGX-SECBINFHSA-N -1 3 301.795 2.786 20 30 DFEDHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@@](C)(C#N)C3)c(=O)c2c1 ZINC000588000137 398474856 /nfs/dbraw/zinc/47/48/56/398474856.db2.gz NGVXBNAPAGPGAZ-SFHVURJKSA-N -1 3 309.369 2.602 20 30 DFEDHM COc1ccccc1-c1nc(NC(=O)[C@H](C)OCC2CC2)n[n-]1 ZINC000068352897 398497598 /nfs/dbraw/zinc/49/75/98/398497598.db2.gz DPPYRTXMRNSSOX-JTQLQIEISA-N -1 3 316.361 2.883 20 30 DFEDHM CCOC(=O)c1ccc(NC(=O)CCCCCC#N)c([O-])c1 ZINC000588369092 398498146 /nfs/dbraw/zinc/49/81/46/398498146.db2.gz ASIQGBDQRCQGAO-UHFFFAOYSA-N -1 3 304.346 2.981 20 30 DFEDHM CC(C)n1ncc2cc(C([O-])=C(C#N)c3ccccn3)cnc21 ZINC000041492127 398569301 /nfs/dbraw/zinc/56/93/01/398569301.db2.gz VHCAVLMGCBXPTM-AWEZNQCLSA-N -1 3 305.341 2.897 20 30 DFEDHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(C#N)cc1 ZINC000042166913 398585657 /nfs/dbraw/zinc/58/56/57/398585657.db2.gz QWYPIHCLAWGPFW-JTQLQIEISA-N -1 3 322.336 2.876 20 30 DFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000593275750 398587065 /nfs/dbraw/zinc/58/70/65/398587065.db2.gz JVNYOVWAOPVHBR-SECBINFHSA-N -1 3 304.774 2.696 20 30 DFEDHM CCc1ccc(CC[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593547471 398654455 /nfs/dbraw/zinc/65/44/55/398654455.db2.gz QGKOBPUUMWCOSL-UHFFFAOYSA-N -1 3 320.439 2.703 20 30 DFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1C1CCCCC1 ZINC000593553171 398655456 /nfs/dbraw/zinc/65/54/56/398655456.db2.gz QONYYGPWNDOSKP-VXGBXAGGSA-N -1 3 310.444 2.867 20 30 DFEDHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593578850 398657336 /nfs/dbraw/zinc/65/73/36/398657336.db2.gz ZWXSBHPJRVINCM-ZETCQYMHSA-N -1 3 312.338 2.629 20 30 DFEDHM CCSCC[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000123914049 282856815 /nfs/dbraw/zinc/85/68/15/282856815.db2.gz LNZNDUOYMKOHMK-JTQLQIEISA-N -1 3 316.423 2.507 20 30 DFEDHM COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C)cc1[O-] ZINC000124739756 282870689 /nfs/dbraw/zinc/87/06/89/282870689.db2.gz NCNDEWXUMAQNAT-UHFFFAOYSA-N -1 3 324.380 2.861 20 30 DFEDHM C[C@H](C#N)S(=O)(=O)[N-][C@@H](c1ccccc1F)C1CCCC1 ZINC000416422393 398699980 /nfs/dbraw/zinc/69/99/80/398699980.db2.gz LLXJENHXBNDQQS-IAQYHMDHSA-N -1 3 310.394 2.888 20 30 DFEDHM CC(C)CCc1nnc([N-]C(=O)c2cnccc2C#N)s1 ZINC000597874233 398711013 /nfs/dbraw/zinc/71/10/13/398711013.db2.gz ZBNQDBDEJOMBLL-UHFFFAOYSA-N -1 3 301.375 2.646 20 30 DFEDHM COc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c(C)c1 ZINC000073353974 191308531 /nfs/dbraw/zinc/30/85/31/191308531.db2.gz MMEGIAGKTQHMLL-UHFFFAOYSA-N -1 3 316.382 2.985 20 30 DFEDHM N#Cc1ccc(OC(F)F)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000076194710 191593251 /nfs/dbraw/zinc/59/32/51/191593251.db2.gz QMFQKJRTHKEDDD-UHFFFAOYSA-N -1 3 323.211 2.913 20 30 DFEDHM CCC(CC)Nc1ccncc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000594361560 398787274 /nfs/dbraw/zinc/78/72/74/398787274.db2.gz CTRJXUWJQPFYFD-UHFFFAOYSA-N -1 3 324.384 2.934 20 30 DFEDHM N#CC1(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CCCCC1 ZINC000598301907 398787702 /nfs/dbraw/zinc/78/77/02/398787702.db2.gz VTPCFVBTINAEMD-UHFFFAOYSA-N -1 3 309.369 2.732 20 30 DFEDHM Cc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)cnn1C(C)(C)C ZINC000049407015 398795289 /nfs/dbraw/zinc/79/52/89/398795289.db2.gz RUTKLWQHHXZWDJ-ZDUSSCGKSA-N -1 3 311.389 2.843 20 30 DFEDHM CCCCOc1ccc(C(=O)N2CC[C@](C)(C#N)C2)c([O-])c1 ZINC000598415783 398809444 /nfs/dbraw/zinc/80/94/44/398809444.db2.gz WAJHUQSHGRDQJB-QGZVFWFLSA-N -1 3 302.374 2.947 20 30 DFEDHM Cc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1F ZINC000050821524 398813745 /nfs/dbraw/zinc/81/37/45/398813745.db2.gz MFDHEFGDBFBGAA-ZDUSSCGKSA-N -1 3 312.348 2.942 20 30 DFEDHM COc1cncc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)n1 ZINC000276715585 213063704 /nfs/dbraw/zinc/06/37/04/213063704.db2.gz FEYQGNYNOXARFK-UHFFFAOYSA-N -1 3 316.386 2.968 20 30 DFEDHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(C#N)c1C)C1CCCC1 ZINC000594703330 398845277 /nfs/dbraw/zinc/84/52/77/398845277.db2.gz CYYPDUIRHGAJOI-INIZCTEOSA-N -1 3 322.430 2.814 20 30 DFEDHM CC[C@H](C#N)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594720334 398848736 /nfs/dbraw/zinc/84/87/36/398848736.db2.gz JQQRGZNMUWDWIR-LLVKDONJSA-N -1 3 319.411 2.662 20 30 DFEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)CCc1ccccc1Cl ZINC000594720323 398848927 /nfs/dbraw/zinc/84/89/27/398848927.db2.gz JMHLAOWTEWJXCO-CYBMUJFWSA-N -1 3 314.838 2.740 20 30 DFEDHM C=CCCSCC[N-]S(=O)(=O)c1cccc(C)c1F ZINC000594814548 398859237 /nfs/dbraw/zinc/85/92/37/398859237.db2.gz AXTHGIDLOURLAL-UHFFFAOYSA-N -1 3 303.424 2.722 20 30 DFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C)CC#N ZINC000594752181 398855906 /nfs/dbraw/zinc/85/59/06/398855906.db2.gz MFQMAQLVOWPKEB-SECBINFHSA-N -1 3 319.411 2.662 20 30 DFEDHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C#N)cc1F ZINC000594835328 398862130 /nfs/dbraw/zinc/86/21/30/398862130.db2.gz OOENIMNCXRYQNM-GXFFZTMASA-N -1 3 314.357 2.634 20 30 DFEDHM N#C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000594832168 398860904 /nfs/dbraw/zinc/86/09/04/398860904.db2.gz HTROWOSRTICPDU-BXKDBHETSA-N -1 3 316.785 2.840 20 30 DFEDHM N#C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000594832171 398860992 /nfs/dbraw/zinc/86/09/92/398860992.db2.gz HTROWOSRTICPDU-SKDRFNHKSA-N -1 3 316.785 2.840 20 30 DFEDHM N#C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000594833571 398861591 /nfs/dbraw/zinc/86/15/91/398861591.db2.gz PJUXDIRCXOJMLD-GXSJLCMTSA-N -1 3 316.785 2.840 20 30 DFEDHM Cc1cc(C)c2[n-]cc(C(=O)N3CC[C@@](C)(C#N)C3)c(=O)c2c1 ZINC000598775846 398871976 /nfs/dbraw/zinc/87/19/76/398871976.db2.gz XWBWHRQMCWBEBM-SFHVURJKSA-N -1 3 309.369 2.521 20 30 DFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)C(C)C ZINC000187616412 200134511 /nfs/dbraw/zinc/13/45/11/200134511.db2.gz WHLIEYAJNRNMJQ-UHFFFAOYSA-N -1 3 317.433 2.594 20 30 DFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(Cl)c2)c(F)c1 ZINC000150998579 398922783 /nfs/dbraw/zinc/92/27/83/398922783.db2.gz AEOYXVQFOZYWGS-UHFFFAOYSA-N -1 3 324.764 2.829 20 30 DFEDHM CC(C)[C@H](C#N)N1CCN(Cc2cc([O-])ccc2Cl)CC1 ZINC000599336678 398956538 /nfs/dbraw/zinc/95/65/38/398956538.db2.gz MPISARKEEQHCQG-INIZCTEOSA-N -1 3 307.825 2.711 20 30 DFEDHM N#CC[C@@H]1CCCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000595623932 399007612 /nfs/dbraw/zinc/00/76/12/399007612.db2.gz ZAUMCYJCMPEYGY-AWEZNQCLSA-N -1 3 308.385 2.975 20 30 DFEDHM C=CCOc1ccc(CN[C@@H](COC(C)(C)C)C(=O)[O-])cc1 ZINC000417599926 335005262 /nfs/dbraw/zinc/00/52/62/335005262.db2.gz QFEQJBQBOVWGCQ-HNNXBMFYSA-N -1 3 307.390 2.609 20 30 DFEDHM C[C@@]1(C#N)CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000595841254 399109022 /nfs/dbraw/zinc/10/90/22/399109022.db2.gz UMLLVMSOQFVILZ-KRWDZBQOSA-N -1 3 308.341 2.817 20 30 DFEDHM Cc1cccc([O-])c1C(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000599903627 399110484 /nfs/dbraw/zinc/11/04/84/399110484.db2.gz MHOIVIWEISLSRR-UHFFFAOYSA-N -1 3 321.380 2.793 20 30 DFEDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1sccc1C#N ZINC000093314450 193228968 /nfs/dbraw/zinc/22/89/68/193228968.db2.gz MYGZICFCGIHQNB-UHFFFAOYSA-N -1 3 319.342 2.599 20 30 DFEDHM Cc1ccc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)c(F)c1 ZINC000182010735 399143543 /nfs/dbraw/zinc/14/35/43/399143543.db2.gz JAQKZTYASPTCIW-WFASDCNBSA-N -1 3 310.394 2.885 20 30 DFEDHM CC(C)(C)c1cnc(S(=O)(=O)Cc2ccc(C#N)cc2)[n-]1 ZINC000600894440 399167820 /nfs/dbraw/zinc/16/78/20/399167820.db2.gz WCPWCSWXMLQCFE-UHFFFAOYSA-N -1 3 303.387 2.553 20 30 DFEDHM CC(C)(C)c1c[n-]c(S(=O)(=O)Cc2ccc(C#N)cc2)n1 ZINC000600894440 399167823 /nfs/dbraw/zinc/16/78/23/399167823.db2.gz WCPWCSWXMLQCFE-UHFFFAOYSA-N -1 3 303.387 2.553 20 30 DFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2n[n-]nc2c1 ZINC000063251645 399182018 /nfs/dbraw/zinc/18/20/18/399182018.db2.gz JKZJINYSEFFJOJ-UHFFFAOYSA-N -1 3 317.352 2.658 20 30 DFEDHM C=CC[C@@H]1CCCN(C(=O)CCc2c(C)nc(C)[n-]c2=O)C1 ZINC000622144371 399208811 /nfs/dbraw/zinc/20/88/11/399208811.db2.gz BLOCZOVSVKKNBY-CQSZACIVSA-N -1 3 303.406 2.546 20 30 DFEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(SC)ccc1[O-] ZINC000614372515 399220610 /nfs/dbraw/zinc/22/06/10/399220610.db2.gz JQWJXLUFIWTPNZ-IAQYHMDHSA-N -1 3 307.415 2.825 20 30 DFEDHM N#CC1([N-]S(=O)(=O)c2ccc(Cl)s2)CCCCC1 ZINC000040215479 183046398 /nfs/dbraw/zinc/04/63/98/183046398.db2.gz SSKQQLNEZPZDDQ-UHFFFAOYSA-N -1 3 304.824 2.906 20 30 DFEDHM N#Cc1ccc(CSc2nc3nncc-3c(O)[n-]2)c(Cl)c1 ZINC000615170988 399307906 /nfs/dbraw/zinc/30/79/06/399307906.db2.gz PFDUECLCGDRAHM-UHFFFAOYSA-N -1 3 317.761 2.876 20 30 DFEDHM CN(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)[C@@H]1CCC[C@H]1C#N ZINC000601815085 399342071 /nfs/dbraw/zinc/34/20/71/399342071.db2.gz QNRPIPORCIIQBG-GXTWGEPZSA-N -1 3 314.385 2.870 20 30 DFEDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000610366430 399361735 /nfs/dbraw/zinc/36/17/35/399361735.db2.gz BBKZLPWDHPXFQP-NSHDSACASA-N -1 3 323.352 2.713 20 30 DFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000611029020 399428919 /nfs/dbraw/zinc/42/89/19/399428919.db2.gz XHQJWMAHZLBGHM-QMMMGPOBSA-N -1 3 307.202 2.964 20 30 DFEDHM C=CCn1c(=O)[n-]nc1S[C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000629161905 399531787 /nfs/dbraw/zinc/53/17/87/399531787.db2.gz PZCTTZGYPFQPPK-CHWSQXEVSA-N -1 3 318.402 2.577 20 30 DFEDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000286505705 219024959 /nfs/dbraw/zinc/02/49/59/219024959.db2.gz DTIDJDLHWAELJO-HNNXBMFYSA-N -1 3 304.371 2.827 20 30 DFEDHM COc1ccc([C@H](CC(=O)[O-])NCc2cccc(C#N)c2)cc1 ZINC000617339749 399667374 /nfs/dbraw/zinc/66/73/74/399667374.db2.gz XCPLEJPUVQVWRA-KRWDZBQOSA-N -1 3 310.353 2.872 20 30 DFEDHM Cc1cccc2c1[n-]cc(C(=O)N(C)[C@@H]1CCC[C@@H]1C#N)c2=O ZINC000603220722 399714575 /nfs/dbraw/zinc/71/45/75/399714575.db2.gz HBABNKCROOYGGR-IUODEOHRSA-N -1 3 309.369 2.601 20 30 DFEDHM Cc1cccc2c1[n-]cc(C(=O)N(C)[C@@H]1CCC[C@H]1C#N)c2=O ZINC000603220725 399714593 /nfs/dbraw/zinc/71/45/93/399714593.db2.gz HBABNKCROOYGGR-SWLSCSKDSA-N -1 3 309.369 2.601 20 30 DFEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(Br)cc1C ZINC000625055374 399836736 /nfs/dbraw/zinc/83/67/36/399836736.db2.gz HQIDICOMQAYUQE-MRVPVSSYSA-N -1 3 322.199 2.749 20 30 DFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]2CCC[C@H]21 ZINC000330321191 543111453 /nfs/dbraw/zinc/11/14/53/543111453.db2.gz SCQRENBQEQVHME-CZUORRHYSA-N -1 3 313.401 2.609 20 30 DFEDHM Cc1nc([C@@H]2CCOC2)sc1C([O-])=C(C#N)c1ccccn1 ZINC000633899557 399959140 /nfs/dbraw/zinc/95/91/40/399959140.db2.gz HVSLZAVRKRHQBQ-NEPJUHHUSA-N -1 3 313.382 2.841 20 30 DFEDHM C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000230684357 146015913 /nfs/dbraw/zinc/01/59/13/146015913.db2.gz GBBVCMMWBWZYQL-ZYHUDNBSSA-N -1 3 312.822 2.926 20 30 DFEDHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccccc1C#N ZINC000354661712 147108583 /nfs/dbraw/zinc/10/85/83/147108583.db2.gz BFRVPWRUGGPLQT-SNVBAGLBSA-N -1 3 306.309 2.568 20 30 DFEDHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000354693948 147118605 /nfs/dbraw/zinc/11/86/05/147118605.db2.gz PMAQCTPLQXQRBJ-JTQLQIEISA-N -1 3 320.336 2.876 20 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C[C@@H](C#N)S(=O)(=O)[N-]C1(c2c(Cl)cccc2Cl)CC1 ZINC000416427287 334667343 /nfs/dbraw/zinc/66/73/43/334667343.db2.gz MERVRWHFDQSJAH-QMMMGPOBSA-N -1 3 319.213 2.814 20 30 DFEDHM CC(C)c1ccc(C(=O)NC[C@@H](C)N2CCOCC2)c([O-])c1 ZINC000331229277 334843239 /nfs/dbraw/zinc/84/32/39/334843239.db2.gz GHGANFJPJNXOFN-CYBMUJFWSA-N -1 3 306.406 2.541 20 30 DFEDHM CC(C)[C@H](CO)CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331238306 334849664 /nfs/dbraw/zinc/84/96/64/334849664.db2.gz NSQBKWACOFRTDG-LBPRGKRZSA-N -1 3 307.390 2.675 20 30 DFEDHM Cc1cc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)ccc1[O-] ZINC000344910084 335284942 /nfs/dbraw/zinc/28/49/42/335284942.db2.gz JWFIQGDWQYZWHU-FUHWJXTLSA-N -1 3 314.385 2.768 20 30 DFEDHM CCc1nc(C([O-])=C(C#N)c2ccccn2)nn1-c1ccccc1 ZINC000344945826 335287060 /nfs/dbraw/zinc/28/70/60/335287060.db2.gz UPJFTQMOTPWONO-CQSZACIVSA-N -1 3 317.352 2.715 20 30 DFEDHM COc1cccc2c(C(=O)Nc3ccc(CC#N)cc3)[n-]nc21 ZINC000345134775 335300385 /nfs/dbraw/zinc/30/03/85/335300385.db2.gz 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C=C(C)CS(=O)(=O)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000435426301 338239878 /nfs/dbraw/zinc/23/98/78/338239878.db2.gz HJCXZHGIXKGUON-LLVKDONJSA-N -1 3 324.229 2.522 20 30 DFEDHM C=CCN(CCc1ccco1)C(=O)c1cccc(OC)c1[O-] ZINC000436978820 338296493 /nfs/dbraw/zinc/29/64/93/338296493.db2.gz IZGMSSYEAAMYHW-UHFFFAOYSA-N -1 3 301.342 2.865 20 30 DFEDHM COc1cc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)ccc1[O-] ZINC000442660455 338426947 /nfs/dbraw/zinc/42/69/47/338426947.db2.gz XEXWTNMZTOGIHH-ZDUSSCGKSA-N -1 3 300.289 2.535 20 30 DFEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000450977166 338715252 /nfs/dbraw/zinc/71/52/52/338715252.db2.gz GTWBBXURJPWBRO-GFCCVEGCSA-N -1 3 316.373 2.982 20 30 DFEDHM N#CCCN(CCC#N)Cc1cccc([O-])c1Br ZINC000459460991 339030502 /nfs/dbraw/zinc/03/05/02/339030502.db2.gz JIYSYXFADNBPJE-UHFFFAOYSA-N -1 3 308.179 2.784 20 30 DFEDHM C#CCN(C(=O)c1cc(OC)c([O-])c(OC)c1)C1CCCCC1 ZINC000491351864 339858965 /nfs/dbraw/zinc/85/89/65/339858965.db2.gz WBEFVSXWSGOGKZ-UHFFFAOYSA-N -1 3 317.385 2.818 20 30 DFEDHM C#CCOc1cc(F)ccc1NC(=O)/C=C\c1cncc([O-])c1 ZINC000492364820 339898728 /nfs/dbraw/zinc/89/87/28/339898728.db2.gz OPKRQAXNBFJSLU-UTCJRWHESA-N -1 3 312.300 2.590 20 30 DFEDHM C=CCO[N-]C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000496589721 340008420 /nfs/dbraw/zinc/00/84/20/340008420.db2.gz UPCGQPMWPIBXEG-UHFFFAOYSA-N -1 3 306.362 2.810 20 30 DFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(C2CCOCC2)c1 ZINC000530144307 340780772 /nfs/dbraw/zinc/78/07/72/340780772.db2.gz GSPLUWYUQPBVPM-HNNXBMFYSA-N -1 3 308.403 2.624 20 30 DFEDHM N#Cc1ccccc1N1CCC[C@H](NC(=O)c2cccc([O-])c2)C1 ZINC000365020674 526739553 /nfs/dbraw/zinc/73/95/53/526739553.db2.gz ZJZHOCYNULVFIG-INIZCTEOSA-N -1 3 321.380 2.663 20 30 DFEDHM N#CC(=C([O-])c1ccoc1C1CC1)c1nnc2n1CCCCC2 ZINC000684948590 546307426 /nfs/dbraw/zinc/30/74/26/546307426.db2.gz YPWWYJWNPYPFMS-CYBMUJFWSA-N -1 3 310.357 2.965 20 30 DFEDHM Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1C ZINC000737314771 598920429 /nfs/dbraw/zinc/92/04/29/598920429.db2.gz 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2.828 20 30 DFEDHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc2c(c1)OCO2 ZINC000736662259 600591918 /nfs/dbraw/zinc/59/19/18/600591918.db2.gz MWXSBHXGIBIUJL-APPDUMDISA-N -1 3 324.336 2.763 20 30 DFEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1cncc2ccccc12 ZINC000819718945 607462763 /nfs/dbraw/zinc/46/27/63/607462763.db2.gz VJLOARJPEDTPRL-UHFFFAOYSA-N -1 3 315.340 2.861 20 30 DFEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1cncc2ccccc12 ZINC000819718945 607462765 /nfs/dbraw/zinc/46/27/65/607462765.db2.gz VJLOARJPEDTPRL-UHFFFAOYSA-N -1 3 315.340 2.861 20 30 DFEDHM CCN(CC1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC000827099493 603514076 /nfs/dbraw/zinc/51/40/76/603514076.db2.gz OYXLFAICGCWFBS-UHFFFAOYSA-N -1 3 301.390 2.770 20 30 DFEDHM N#CC(C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccn1 ZINC000831065785 604152682 /nfs/dbraw/zinc/15/26/82/604152682.db2.gz SAFZKVUDMMYAKZ-GSPSYOTPSA-N -1 3 313.357 2.569 20 30 DFEDHM N#Cc1cccc([C@H](NCc2ccc3c(c2)COC3)C(=O)[O-])c1 ZINC000833075921 604401301 /nfs/dbraw/zinc/40/13/01/604401301.db2.gz OINZLWMDFMCTJC-KRWDZBQOSA-N -1 3 308.337 2.504 20 30 DFEDHM C[C@](CO)(NCc1cccc(C(=O)[O-])c1C#N)C1CCCCC1 ZINC000833517956 604609979 /nfs/dbraw/zinc/60/99/79/604609979.db2.gz GAWYFBLTIFCBCH-GOSISDBHSA-N -1 3 316.401 2.677 20 30 DFEDHM CCc1cnccc1[C@@H](C)N[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833672413 605270093 /nfs/dbraw/zinc/27/00/93/605270093.db2.gz CGRPKRKJRXYKRT-SJKOYZFVSA-N -1 3 309.369 2.992 20 30 DFEDHM N#CCCCOc1cccc(CN2CCC[C@H]2CNC(=O)[O-])c1 ZINC000833965273 605615211 /nfs/dbraw/zinc/61/52/11/605615211.db2.gz HARYDASHHRFCIO-HNNXBMFYSA-N -1 3 317.389 2.601 20 30 DFEDHM O=C1c2cc(F)ccc2OC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823503106 606306614 /nfs/dbraw/zinc/30/66/14/606306614.db2.gz BOIOHIOFBXZGFO-XGICHPGQSA-N -1 3 314.301 2.684 20 30 DFEDHM O=C1c2cc(F)ccc2OC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823503106 606306616 /nfs/dbraw/zinc/30/66/16/606306616.db2.gz BOIOHIOFBXZGFO-XGICHPGQSA-N -1 3 314.301 2.684 20 30 DFEDHM Fc1ccc2c(c1)C(=NNc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000822782723 606370640 /nfs/dbraw/zinc/37/06/40/606370640.db2.gz DEOATWJHJBXAPJ-UHFFFAOYSA-N -1 3 308.320 2.768 20 30 DFEDHM CCc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)o1 ZINC000821477114 606470207 /nfs/dbraw/zinc/47/02/07/606470207.db2.gz YYVCUZBBDINDMF-PLNGDYQASA-N -1 3 300.343 2.980 20 30 DFEDHM CCc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)o1 ZINC000821477114 606470208 /nfs/dbraw/zinc/47/02/08/606470208.db2.gz YYVCUZBBDINDMF-PLNGDYQASA-N -1 3 300.343 2.980 20 30 DFEDHM C=CCC(CC=C)C(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000819734884 606918428 /nfs/dbraw/zinc/91/84/28/606918428.db2.gz WLSINYURCFZXKZ-UHFFFAOYSA-N -1 3 314.345 2.549 20 30 DFEDHM C=CCC(CC=C)C(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000819734884 606918430 /nfs/dbraw/zinc/91/84/30/606918430.db2.gz WLSINYURCFZXKZ-UHFFFAOYSA-N -1 3 314.345 2.549 20 30 DFEDHM N#Cc1cccc(Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000822837350 606945002 /nfs/dbraw/zinc/94/50/02/606945002.db2.gz KSUFUHAPEPENIX-UHFFFAOYSA-N -1 3 324.325 2.798 20 30 DFEDHM N#Cc1cccc(Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000822837350 606945003 /nfs/dbraw/zinc/94/50/03/606945003.db2.gz KSUFUHAPEPENIX-UHFFFAOYSA-N -1 3 324.325 2.798 20 30 DFEDHM N#CCCCCSCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822806918 606987622 /nfs/dbraw/zinc/98/76/22/606987622.db2.gz VZJJXYDJLAMWFB-UHFFFAOYSA-N -1 3 303.391 2.673 20 30 DFEDHM N#CCCCCSCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822806918 606987624 /nfs/dbraw/zinc/98/76/24/606987624.db2.gz VZJJXYDJLAMWFB-UHFFFAOYSA-N -1 3 303.391 2.673 20 30 DFEDHM N#Cc1cccc(SCC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822837400 607014062 /nfs/dbraw/zinc/01/40/62/607014062.db2.gz NAPFXBTZCRFZPB-UHFFFAOYSA-N -1 3 321.365 2.713 20 30 DFEDHM N#Cc1cccc(SCC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822837400 607014064 /nfs/dbraw/zinc/01/40/64/607014064.db2.gz NAPFXBTZCRFZPB-UHFFFAOYSA-N -1 3 321.365 2.713 20 30 DFEDHM O=C1C(=Cc2cncs2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503772 607123212 /nfs/dbraw/zinc/12/32/12/607123212.db2.gz 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CC(C)C(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)C1CC1 ZINC000824178338 608533514 /nfs/dbraw/zinc/53/35/14/608533514.db2.gz QKDUXCIZMMWWAZ-UHFFFAOYSA-N -1 3 305.773 2.749 20 30 DFEDHM CC(C)C(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)C1CC1 ZINC000824178338 608533515 /nfs/dbraw/zinc/53/35/15/608533515.db2.gz QKDUXCIZMMWWAZ-UHFFFAOYSA-N -1 3 305.773 2.749 20 30 DFEDHM O=C1c2cc(F)ccc2CC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475432 608881068 /nfs/dbraw/zinc/88/10/68/608881068.db2.gz GENPXJRXTSLMLS-VZUCSPMQSA-N -1 3 324.290 2.967 20 30 DFEDHM O=C1c2cc(F)ccc2CC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475432 608881072 /nfs/dbraw/zinc/88/10/72/608881072.db2.gz GENPXJRXTSLMLS-VZUCSPMQSA-N -1 3 324.290 2.967 20 30 DFEDHM C#CCCCCCC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823842021 609133256 /nfs/dbraw/zinc/13/32/56/609133256.db2.gz XGYXLOSUBMZJSK-UHFFFAOYSA-N -1 3 316.336 2.633 20 30 DFEDHM C#CCCCCCC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823842021 609133255 /nfs/dbraw/zinc/13/32/55/609133255.db2.gz XGYXLOSUBMZJSK-UHFFFAOYSA-N -1 3 316.336 2.633 20 30 DFEDHM Cc1ncccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826330541 609270482 /nfs/dbraw/zinc/27/04/82/609270482.db2.gz YNASTQTVDQYAQN-FNORWQNLSA-N -1 3 309.304 2.605 20 30 DFEDHM Cc1ncccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826330541 609270483 /nfs/dbraw/zinc/27/04/83/609270483.db2.gz YNASTQTVDQYAQN-FNORWQNLSA-N -1 3 309.304 2.605 20 30 DFEDHM COc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826218392 609271851 /nfs/dbraw/zinc/27/18/51/609271851.db2.gz AQGXWPHNMNDUCD-CLFYSBASSA-N -1 3 324.315 2.911 20 30 DFEDHM COc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826218392 609271853 /nfs/dbraw/zinc/27/18/53/609271853.db2.gz AQGXWPHNMNDUCD-CLFYSBASSA-N -1 3 324.315 2.911 20 30 DFEDHM O=C(C=Cc1ccc(O)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400954 609274885 /nfs/dbraw/zinc/27/48/85/609274885.db2.gz LYQMEIHKAVMWPF-BAQGIRSFSA-N -1 3 310.288 2.608 20 30 DFEDHM O=C(C=Cc1ccc(O)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400954 609274887 /nfs/dbraw/zinc/27/48/87/609274887.db2.gz 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ZINC000823919988 609585984 /nfs/dbraw/zinc/58/59/84/609585984.db2.gz VSFAIAMLAINELD-UHFFFAOYSA-N -1 3 306.373 2.763 20 30 DFEDHM N#Cc1ccc([N-]S(=O)(=O)CCc2ccccc2)cc1F ZINC000307972577 231096662 /nfs/dbraw/zinc/09/66/62/231096662.db2.gz ZDHXKWPTNLDFIO-UHFFFAOYSA-N -1 3 304.346 2.682 20 30 DFEDHM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230337143 398356618 /nfs/dbraw/zinc/35/66/18/398356618.db2.gz MUTZBIVACXPSRR-VIFPVBQESA-N -1 3 312.441 2.591 20 30 DFEDHM Cc1ncc(CO)c(/C=N/CCCN(C)c2ccccc2)c1[O-] ZINC000005111059 398350428 /nfs/dbraw/zinc/35/04/28/398350428.db2.gz USHOGGZHEICWHB-XDHOZWIPSA-N -1 3 313.401 2.533 20 30 DFEDHM N#CC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000579666002 398382115 /nfs/dbraw/zinc/38/21/15/398382115.db2.gz XRBBAFPAYZTZIA-UHFFFAOYSA-N -1 3 305.186 2.575 20 30 DFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]2C[C@H]21 ZINC000592100236 398383760 /nfs/dbraw/zinc/38/37/60/398383760.db2.gz IMWYVCPHRUWQGZ-OPQQBVKSSA-N -1 3 310.806 2.679 20 30 DFEDHM 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Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(C#N)c1C ZINC000826250833 607711045 /nfs/dbraw/zinc/71/10/45/607711045.db2.gz UVKVATPVKGOXHF-UHFFFAOYSA-N -1 3 318.340 2.608 20 30 DFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(C#N)c1C ZINC000826250833 607711047 /nfs/dbraw/zinc/71/10/47/607711047.db2.gz UVKVATPVKGOXHF-UHFFFAOYSA-N -1 3 318.340 2.608 20 30 DFEDHM CC[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc2ccccc2s1 ZINC000827513559 605171436 /nfs/dbraw/zinc/17/14/36/605171436.db2.gz AAQQHHFXSQPQDI-IUCAKERBSA-N -1 3 303.343 2.519 20 30 DFEDHM CC(C)(C(=O)[O-])[C@H](NCc1ccnc(C#N)c1)c1ccccc1 ZINC000833414456 605178660 /nfs/dbraw/zinc/17/86/60/605178660.db2.gz NWKIEMTXYFHFQH-MRXNPFEDSA-N -1 3 309.369 2.895 20 30 DFEDHM CN(Cc1ccccc1C(C)(C)C#N)[C@H]1CCN(C(=O)[O-])C1 ZINC000828388331 605279186 /nfs/dbraw/zinc/27/91/86/605279186.db2.gz SLVAXRCBQCGUNS-AWEZNQCLSA-N -1 3 301.390 2.672 20 30 DFEDHM C=CCC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccccc1 ZINC000823894534 607754787 /nfs/dbraw/zinc/75/47/87/607754787.db2.gz SJPCIWCFBHUTJN-ZDUSSCGKSA-N -1 3 322.372 2.632 20 30 DFEDHM C=CCC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccccc1 ZINC000823894534 607754788 /nfs/dbraw/zinc/75/47/88/607754788.db2.gz SJPCIWCFBHUTJN-ZDUSSCGKSA-N -1 3 322.372 2.632 20 30 DFEDHM COc1ccc2c(c1)C(=O)C(=Cc1cccc(-c3nnn[n-]3)c1)C2 ZINC000821849741 606154652 /nfs/dbraw/zinc/15/46/52/606154652.db2.gz PAZIANGFOJDEDC-RIYZIHGNSA-N -1 3 318.336 2.698 20 30 DFEDHM COc1ccc2c(c1)C(=O)C(=Cc1cccc(-c3nn[n-]n3)c1)C2 ZINC000821849741 606154653 /nfs/dbraw/zinc/15/46/53/606154653.db2.gz PAZIANGFOJDEDC-RIYZIHGNSA-N -1 3 318.336 2.698 20 30 DFEDHM CCCCCCCCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821055733 606252736 /nfs/dbraw/zinc/25/27/36/606252736.db2.gz FKHSNQJSRNMRBP-UHFFFAOYSA-N -1 3 304.398 2.675 20 30 DFEDHM CCCCCCCCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821055733 606252738 /nfs/dbraw/zinc/25/27/38/606252738.db2.gz FKHSNQJSRNMRBP-UHFFFAOYSA-N -1 3 304.398 2.675 20 30 DFEDHM COc1cccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821854887 606302194 /nfs/dbraw/zinc/30/21/94/606302194.db2.gz ZLSKASWJSXGMCV-WAYWQWQTSA-N -1 3 312.354 2.833 20 30 DFEDHM COc1cccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000821854887 606302196 /nfs/dbraw/zinc/30/21/96/606302196.db2.gz ZLSKASWJSXGMCV-WAYWQWQTSA-N -1 3 312.354 2.833 20 30 DFEDHM C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000820513205 606354665 /nfs/dbraw/zinc/35/46/65/606354665.db2.gz XMBSPTIOFHMDSC-NSHDSACASA-N -1 3 319.324 2.656 20 30 DFEDHM C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000820513205 606354667 /nfs/dbraw/zinc/35/46/67/606354667.db2.gz XMBSPTIOFHMDSC-NSHDSACASA-N -1 3 319.324 2.656 20 30 DFEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)ccc1O ZINC000822160639 606391162 /nfs/dbraw/zinc/39/11/62/606391162.db2.gz JCNFENRFUJJGBP-ZZXKWVIFSA-N -1 3 312.354 2.838 20 30 DFEDHM Clc1ccc(C#CCOc2ccccc2-c2nnn[n-]2)cc1 ZINC000822573791 606429387 /nfs/dbraw/zinc/42/93/87/606429387.db2.gz ISQPPJGNTDKPAT-UHFFFAOYSA-N -1 3 310.744 2.951 20 30 DFEDHM Clc1ccc(C#CCOc2ccccc2-c2nn[n-]n2)cc1 ZINC000822573791 606429388 /nfs/dbraw/zinc/42/93/88/606429388.db2.gz ISQPPJGNTDKPAT-UHFFFAOYSA-N -1 3 310.744 2.951 20 30 DFEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1c[nH]c2ncccc12 ZINC000822929300 606778216 /nfs/dbraw/zinc/77/82/16/606778216.db2.gz RXBVKTARWSUTGR-VOTSOKGWSA-N -1 3 316.324 2.639 20 30 DFEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1c[nH]c2ncccc12 ZINC000822929300 606778217 /nfs/dbraw/zinc/77/82/17/606778217.db2.gz RXBVKTARWSUTGR-VOTSOKGWSA-N -1 3 316.324 2.639 20 30 DFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccccc1F ZINC000822924079 606857679 /nfs/dbraw/zinc/85/76/79/606857679.db2.gz WQUYYLVDJHVWME-WAYWQWQTSA-N -1 3 300.318 2.963 20 30 DFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccccc1F ZINC000822924079 606857680 /nfs/dbraw/zinc/85/76/80/606857680.db2.gz WQUYYLVDJHVWME-WAYWQWQTSA-N -1 3 300.318 2.963 20 30 DFEDHM N#Cc1ccc(NCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822829682 606862637 /nfs/dbraw/zinc/86/26/37/606862637.db2.gz DKAYDCFJOICMPL-UHFFFAOYSA-N -1 3 320.356 2.619 20 30 DFEDHM N#Cc1ccc(NCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822829682 606862638 /nfs/dbraw/zinc/86/26/38/606862638.db2.gz DKAYDCFJOICMPL-UHFFFAOYSA-N -1 3 320.356 2.619 20 30 DFEDHM C[C@@H]1C[C@@H]1CN=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820667006 606918182 /nfs/dbraw/zinc/91/81/82/606918182.db2.gz KLUVASKVGCPVBQ-HTQZYQBOSA-N -1 3 310.283 2.939 20 30 DFEDHM C[C@@H]1C[C@@H]1CN=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820667006 606918183 /nfs/dbraw/zinc/91/81/83/606918183.db2.gz KLUVASKVGCPVBQ-HTQZYQBOSA-N -1 3 310.283 2.939 20 30 DFEDHM Cc1ccc(C#N)cc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000822225296 607030500 /nfs/dbraw/zinc/03/05/00/607030500.db2.gz XFCIPLOOADXPSA-UHFFFAOYSA-N -1 3 309.304 2.765 20 30 DFEDHM Cc1ccc(C#N)cc1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000822225296 607030502 /nfs/dbraw/zinc/03/05/02/607030502.db2.gz XFCIPLOOADXPSA-UHFFFAOYSA-N -1 3 309.304 2.765 20 30 DFEDHM N#Cc1cc(F)ccc1COc1ccc(-c2nnn[n-]2)cc1F ZINC000822823082 607138946 /nfs/dbraw/zinc/13/89/46/607138946.db2.gz 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/nfs/dbraw/zinc/96/19/79/607961979.db2.gz SFGFXQOWOMHNBT-UHFFFAOYSA-N -1 3 324.388 2.893 20 30 DFEDHM CCc1cnccc1C(C)=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825736286 608229170 /nfs/dbraw/zinc/22/91/70/608229170.db2.gz YTAXLCIITOORNW-UHFFFAOYSA-N -1 3 307.361 2.660 20 30 DFEDHM C=C(CC)CSCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000823883708 608298697 /nfs/dbraw/zinc/29/86/97/608298697.db2.gz YMFKWSMKOFDWNJ-UHFFFAOYSA-N -1 3 320.418 2.954 20 30 DFEDHM C=C(CC)CSCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000823883708 608298698 /nfs/dbraw/zinc/29/86/98/608298698.db2.gz YMFKWSMKOFDWNJ-UHFFFAOYSA-N -1 3 320.418 2.954 20 30 DFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CC3(CCC3)C2)n1 ZINC000826350096 608541284 /nfs/dbraw/zinc/54/12/84/608541284.db2.gz IJDDVWOIQJNPQM-UHFFFAOYSA-N -1 3 303.757 2.647 20 30 DFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CC3(CCC3)C2)n1 ZINC000826350096 608541286 /nfs/dbraw/zinc/54/12/86/608541286.db2.gz IJDDVWOIQJNPQM-UHFFFAOYSA-N -1 3 303.757 2.647 20 30 DFEDHM N#Cc1ccc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000826385717 608572442 /nfs/dbraw/zinc/57/24/42/608572442.db2.gz XXMQGHDODPDHFD-UHFFFAOYSA-N -1 3 324.731 2.644 20 30 DFEDHM N#Cc1ccc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000826385717 608572443 /nfs/dbraw/zinc/57/24/43/608572443.db2.gz XXMQGHDODPDHFD-UHFFFAOYSA-N -1 3 324.731 2.644 20 30 DFEDHM CC(=[NH+][N-]c1cccc(-c2nnn[n-]2)c1)c1ccccc1N(C)C ZINC000823962313 608749003 /nfs/dbraw/zinc/74/90/03/608749003.db2.gz JEJJUYFVTSZMBC-UHFFFAOYSA-N -1 3 321.388 2.769 20 30 DFEDHM CC(=[NH+][N-]c1cccc(-c2nn[n-]n2)c1)c1ccccc1N(C)C ZINC000823962313 608749005 /nfs/dbraw/zinc/74/90/05/608749005.db2.gz JEJJUYFVTSZMBC-UHFFFAOYSA-N -1 3 321.388 2.769 20 30 DFEDHM CC(=NNc1cccc(F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823963127 609159443 /nfs/dbraw/zinc/15/94/43/609159443.db2.gz VZCUEMKECYIYKU-UHFFFAOYSA-N -1 3 314.299 2.981 20 30 DFEDHM CC(=NNc1cccc(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823963127 609159444 /nfs/dbraw/zinc/15/94/44/609159444.db2.gz VZCUEMKECYIYKU-UHFFFAOYSA-N -1 3 314.299 2.981 20 30 DFEDHM C=C(C)CN(C)c1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000823877595 609317453 /nfs/dbraw/zinc/31/74/53/609317453.db2.gz AHLVMDNWRAKNEY-UHFFFAOYSA-N -1 3 316.315 2.705 20 30 DFEDHM C=C(C)CN(C)c1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000823877595 609317454 /nfs/dbraw/zinc/31/74/54/609317454.db2.gz AHLVMDNWRAKNEY-UHFFFAOYSA-N -1 3 316.315 2.705 20 30 DFEDHM Cc1ncc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000826329471 609471686 /nfs/dbraw/zinc/47/16/86/609471686.db2.gz FHWFCQMOVSZCRV-UHFFFAOYSA-N -1 3 319.781 2.731 20 30 DFEDHM Cc1ncc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000826329471 609471688 /nfs/dbraw/zinc/47/16/88/609471688.db2.gz FHWFCQMOVSZCRV-UHFFFAOYSA-N -1 3 319.781 2.731 20 30 DFEDHM Cc1ncccc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826330177 609473929 /nfs/dbraw/zinc/47/39/29/609473929.db2.gz IIUHILZZBVYOGQ-UHFFFAOYSA-N -1 3 313.752 2.670 20 30 DFEDHM Cc1ncccc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826330177 609473931 /nfs/dbraw/zinc/47/39/31/609473931.db2.gz IIUHILZZBVYOGQ-UHFFFAOYSA-N -1 3 313.752 2.670 20 30 DFEDHM C#CCOc1ccc(CNc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000823856830 609484920 /nfs/dbraw/zinc/48/49/20/609484920.db2.gz ZXKBOYLLCUYTCO-UHFFFAOYSA-N -1 3 319.368 2.799 20 30 DFEDHM C#CCOc1ccc(CNc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000823856830 609484921 /nfs/dbraw/zinc/48/49/21/609484921.db2.gz ZXKBOYLLCUYTCO-UHFFFAOYSA-N -1 3 319.368 2.799 20 30 DFEDHM CC1(C#N)CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000824776872 609561635 /nfs/dbraw/zinc/56/16/35/609561635.db2.gz FCEOXQKUHFAYMX-UHFFFAOYSA-N -1 3 302.769 2.650 20 30 DFEDHM CC1(C#N)CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000824776872 609561637 /nfs/dbraw/zinc/56/16/37/609561637.db2.gz FCEOXQKUHFAYMX-UHFFFAOYSA-N -1 3 302.769 2.650 20 30 DFEDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1 ZINC000076839301 185045908 /nfs/dbraw/zinc/04/59/08/185045908.db2.gz IJWCYWOAVIENIC-UHFFFAOYSA-N -1 3 320.345 2.897 20 30 DFEDHM N#CC(=C([O-])c1cnc2n1CCCC2)c1cnc2ccccc2n1 ZINC000578432056 398373035 /nfs/dbraw/zinc/37/30/35/398373035.db2.gz 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C#Cc1cccc(N(CC)C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000735390917 598659658 /nfs/dbraw/zinc/65/96/58/598659658.db2.gz IRYARBAOPIQAEK-UHFFFAOYSA-N -1 3 317.352 2.515 20 30 DFEDHM C#Cc1cccc(N(CC)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000735390917 598659660 /nfs/dbraw/zinc/65/96/60/598659660.db2.gz IRYARBAOPIQAEK-UHFFFAOYSA-N -1 3 317.352 2.515 20 30 DFEDHM C=CCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735431406 598662598 /nfs/dbraw/zinc/66/25/98/598662598.db2.gz DCFCSPWEONNRQL-UHFFFAOYSA-N -1 3 321.340 2.575 20 30 DFEDHM C=CCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735431406 598662597 /nfs/dbraw/zinc/66/25/97/598662597.db2.gz DCFCSPWEONNRQL-UHFFFAOYSA-N -1 3 321.340 2.575 20 30 DFEDHM COc1ccc(C#N)cc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737066209 599327064 /nfs/dbraw/zinc/32/70/64/599327064.db2.gz RVFBWNAXNLJUGH-NSHDSACASA-N -1 3 320.356 2.920 20 30 DFEDHM COc1ccc(C#N)cc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737066209 599327067 /nfs/dbraw/zinc/32/70/67/599327067.db2.gz RVFBWNAXNLJUGH-NSHDSACASA-N -1 3 320.356 2.920 20 30 DFEDHM COc1ccc(-c2nnn[n-]2)cc1N[C@H](C)c1ccc(C#N)cc1 ZINC000737062886 599327190 /nfs/dbraw/zinc/32/71/90/599327190.db2.gz SVFQEEIVSSIAMW-LLVKDONJSA-N -1 3 320.356 2.920 20 30 DFEDHM COc1ccc(-c2nn[n-]n2)cc1N[C@H](C)c1ccc(C#N)cc1 ZINC000737062886 599327192 /nfs/dbraw/zinc/32/71/92/599327192.db2.gz SVFQEEIVSSIAMW-LLVKDONJSA-N -1 3 320.356 2.920 20 30 DFEDHM COc1ccc(O)c(C=N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821839627 599400218 /nfs/dbraw/zinc/40/02/18/599400218.db2.gz WLNSWVKTQRSNDO-VDCVXVNISA-N -1 3 323.356 2.761 20 30 DFEDHM COc1ccc(O)c(C=N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821839627 599400219 /nfs/dbraw/zinc/40/02/19/599400219.db2.gz WLNSWVKTQRSNDO-VDCVXVNISA-N -1 3 323.356 2.761 20 30 DFEDHM CCN(CC)c1ccc(/C=[NH+]\[C@H]2CCCN(C(=O)[O-])C2)c([O-])c1 ZINC000737088155 599801095 /nfs/dbraw/zinc/80/10/95/599801095.db2.gz HAUXBHKKJDYNBT-DZBQEORWSA-N -1 3 319.405 2.800 20 30 DFEDHM C[C@H](OC(=O)C#Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820481249 607403100 /nfs/dbraw/zinc/40/31/00/607403100.db2.gz UEMXUJUASQBBAI-ZDUSSCGKSA-N -1 3 318.336 2.523 20 30 DFEDHM C[C@H](OC(=O)C#Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820481249 607403101 /nfs/dbraw/zinc/40/31/01/607403101.db2.gz UEMXUJUASQBBAI-ZDUSSCGKSA-N -1 3 318.336 2.523 20 30 DFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821768828 607454686 /nfs/dbraw/zinc/45/46/86/607454686.db2.gz ACZPJDMYPHEGTI-TWGQIWQCSA-N -1 3 324.315 2.911 20 30 DFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821768828 607454687 /nfs/dbraw/zinc/45/46/87/607454687.db2.gz ACZPJDMYPHEGTI-TWGQIWQCSA-N -1 3 324.315 2.911 20 30 DFEDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(C#N)c1 ZINC000827709884 600761561 /nfs/dbraw/zinc/76/15/61/600761561.db2.gz HPCYKHVHTYJUQE-SJKOYZFVSA-N -1 3 305.337 2.906 20 30 DFEDHM COc1cc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1C ZINC000831999934 601302255 /nfs/dbraw/zinc/30/22/55/601302255.db2.gz DNOMHUSUVZJKJQ-QGZVFWFLSA-N -1 3 310.353 2.791 20 30 DFEDHM C[C@]1(C(=O)[O-])CCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000828029325 601929690 /nfs/dbraw/zinc/92/96/90/601929690.db2.gz YWPAASQYIGCJFX-HNNXBMFYSA-N -1 3 308.765 2.539 20 30 DFEDHM Clc1ccccc1C#CCOc1cccc(-c2nnn[n-]2)c1 ZINC000826353563 607539599 /nfs/dbraw/zinc/53/95/99/607539599.db2.gz VGTLFEHGRULRRE-UHFFFAOYSA-N -1 3 310.744 2.951 20 30 DFEDHM Clc1ccccc1C#CCOc1cccc(-c2nn[n-]n2)c1 ZINC000826353563 607539600 /nfs/dbraw/zinc/53/96/00/607539600.db2.gz VGTLFEHGRULRRE-UHFFFAOYSA-N -1 3 310.744 2.951 20 30 DFEDHM COc1ccc(NN=C(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826210411 607571263 /nfs/dbraw/zinc/57/12/63/607571263.db2.gz QJEMJRKGBSNODR-UHFFFAOYSA-N -1 3 308.345 2.711 20 30 DFEDHM COc1ccc(NN=C(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826210411 607571265 /nfs/dbraw/zinc/57/12/65/607571265.db2.gz QJEMJRKGBSNODR-UHFFFAOYSA-N -1 3 308.345 2.711 20 30 DFEDHM CCN(CC(=O)C(C#N)c1nc2cc(F)ccc2s1)C(=O)[O-] ZINC000739384966 602867322 /nfs/dbraw/zinc/86/73/22/602867322.db2.gz NTGCZRWDWPAJOP-VIFPVBQESA-N -1 3 321.333 2.612 20 30 DFEDHM COc1cc(F)cc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000833728565 604686056 /nfs/dbraw/zinc/68/60/56/604686056.db2.gz FYPODYVVXDZFJL-INIZCTEOSA-N -1 3 314.316 2.621 20 30 DFEDHM N#CCC[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC000826381179 607708317 /nfs/dbraw/zinc/70/83/17/607708317.db2.gz ALQLOFCGQQIDGQ-CQSZACIVSA-N -1 3 308.345 2.594 20 30 DFEDHM N#CCC[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC000826381179 607708319 /nfs/dbraw/zinc/70/83/19/607708319.db2.gz ALQLOFCGQQIDGQ-CQSZACIVSA-N -1 3 308.345 2.594 20 30 DFEDHM C=CC1CCN(Cc2cc(C(=O)[O-])cc(C(=O)OC)c2)CC1 ZINC000833371327 605203161 /nfs/dbraw/zinc/20/31/61/605203161.db2.gz NONTTXAUPMMWRE-UHFFFAOYSA-N -1 3 303.358 2.569 20 30 DFEDHM CC(C)(C#N)c1ccccc1CN1CCC[C@@H](NC(=O)[O-])C1 ZINC000823737622 605273486 /nfs/dbraw/zinc/27/34/86/605273486.db2.gz ISRUNPHGHNXZKP-CQSZACIVSA-N -1 3 301.390 2.720 20 30 DFEDHM C[C@@]1(C(=O)[O-])CCN(Cc2ccc(C#N)cc2Br)C1 ZINC000833553739 605354334 /nfs/dbraw/zinc/35/43/34/605354334.db2.gz HXIQQNWWMXERGR-CQSZACIVSA-N -1 3 323.190 2.617 20 30 DFEDHM N#Cc1ccc(F)c(CN2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@@H]3C2)c1 ZINC000833973179 605430923 /nfs/dbraw/zinc/43/09/23/605430923.db2.gz HLDCSCHNLNDVJI-JGGQBBKZSA-N -1 3 317.364 2.565 20 30 DFEDHM O=C([O-])N1CCC(N(CC#Cc2ccc(F)cc2)C2CC2)CC1 ZINC000834085037 605747132 /nfs/dbraw/zinc/74/71/32/605747132.db2.gz XVRDYBQACZUWRW-UHFFFAOYSA-N -1 3 316.376 2.784 20 30 DFEDHM C[C@H]1Cc2ccccc2C1=NNc1cccc(-c2nn[n-]n2)c1 ZINC000820813340 606201576 /nfs/dbraw/zinc/20/15/76/606201576.db2.gz DUIGLSBWTUMPKK-NSHDSACASA-N -1 3 304.357 2.875 20 30 DFEDHM Cc1ncsc1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822482696 606305512 /nfs/dbraw/zinc/30/55/12/606305512.db2.gz XKFKXMJXRMNAAT-IHWYPQMZSA-N -1 3 303.372 2.589 20 30 DFEDHM Cc1ncsc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822482696 606305514 /nfs/dbraw/zinc/30/55/14/606305514.db2.gz XKFKXMJXRMNAAT-IHWYPQMZSA-N -1 3 303.372 2.589 20 30 DFEDHM N#Cc1csc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822846232 606306602 /nfs/dbraw/zinc/30/66/02/606306602.db2.gz QQRGPKXFRACFPN-PLNGDYQASA-N -1 3 307.338 2.696 20 30 DFEDHM N#Cc1csc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822846232 606306604 /nfs/dbraw/zinc/30/66/04/606306604.db2.gz QQRGPKXFRACFPN-PLNGDYQASA-N -1 3 307.338 2.696 20 30 DFEDHM COc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000821854588 606386944 /nfs/dbraw/zinc/38/69/44/606386944.db2.gz OMPVMCBOYZSDEX-FNORWQNLSA-N -1 3 312.354 2.833 20 30 DFEDHM O=C(C=Cc1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822927990 606388120 /nfs/dbraw/zinc/38/81/20/606388120.db2.gz CCZAQJPPCXDMRN-XFSBKJJWSA-N -1 3 311.732 2.811 20 30 DFEDHM O=C(C=Cc1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822927990 606388122 /nfs/dbraw/zinc/38/81/22/606388122.db2.gz CCZAQJPPCXDMRN-XFSBKJJWSA-N -1 3 311.732 2.811 20 30 DFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1c[nH]c2ncccc12 ZINC000822923064 606778080 /nfs/dbraw/zinc/77/80/80/606778080.db2.gz NNDQHUBBLUNMFS-YVMONPNESA-N -1 3 316.324 2.639 20 30 DFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c2ncccc12 ZINC000822923064 606778082 /nfs/dbraw/zinc/77/80/82/606778082.db2.gz NNDQHUBBLUNMFS-YVMONPNESA-N -1 3 316.324 2.639 20 30 DFEDHM CC1(C)CCCC(=Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1=O ZINC000820589923 606860086 /nfs/dbraw/zinc/86/00/86/606860086.db2.gz NOYWLCQGQOLFMO-FLIBITNWSA-N -1 3 322.372 2.677 20 30 DFEDHM CC1(C)CCCC(=Cc2cnc3ccc(-c4nn[n-]n4)cn23)C1=O ZINC000820589923 606860088 /nfs/dbraw/zinc/86/00/88/606860088.db2.gz NOYWLCQGQOLFMO-FLIBITNWSA-N -1 3 322.372 2.677 20 30 DFEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(F)ccc1C#N ZINC000821609573 607058882 /nfs/dbraw/zinc/05/88/82/607058882.db2.gz CRFNIGZCEIWOAI-UHFFFAOYSA-N -1 3 322.347 2.509 20 30 DFEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc(F)ccc1C#N ZINC000821609573 607058884 /nfs/dbraw/zinc/05/88/84/607058884.db2.gz CRFNIGZCEIWOAI-UHFFFAOYSA-N -1 3 322.347 2.509 20 30 DFEDHM C[C@@H]1CC[C@@H](CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1 ZINC000820683854 607092722 /nfs/dbraw/zinc/09/27/22/607092722.db2.gz IGIWTMGNGXVUPD-GHMZBOCLSA-N -1 3 310.361 2.503 20 30 DFEDHM C[C@@H]1CC[C@@H](CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1 ZINC000820683854 607092724 /nfs/dbraw/zinc/09/27/24/607092724.db2.gz IGIWTMGNGXVUPD-GHMZBOCLSA-N -1 3 310.361 2.503 20 30 DFEDHM COc1cccc2c1CC(=Cc1ccc(-c3nnn[n-]3)s1)C2=O ZINC000821877318 607111477 /nfs/dbraw/zinc/11/14/77/607111477.db2.gz HJCSFDDMYBVKKD-VQHVLOKHSA-N -1 3 324.365 2.759 20 30 DFEDHM C=C(C)CN(CC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819723080 607198818 /nfs/dbraw/zinc/19/88/18/607198818.db2.gz XOWBOVHAXRBGHH-UHFFFAOYSA-N -1 3 320.784 2.950 20 30 DFEDHM C=C(C)CN(CC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819723080 607198819 /nfs/dbraw/zinc/19/88/19/607198819.db2.gz XOWBOVHAXRBGHH-UHFFFAOYSA-N -1 3 320.784 2.950 20 30 DFEDHM N#Cc1c(F)cccc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000826383344 607864638 /nfs/dbraw/zinc/86/46/38/607864638.db2.gz WKBILKVHBRVDSX-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM N#Cc1c(F)cccc1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000826383344 607864639 /nfs/dbraw/zinc/86/46/39/607864639.db2.gz WKBILKVHBRVDSX-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM N#CCCOc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826382293 607878268 /nfs/dbraw/zinc/87/82/68/607878268.db2.gz XICVJQYQZMAKGL-UHFFFAOYSA-N -1 3 307.313 2.951 20 30 DFEDHM N#CCCOc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826382293 607878269 /nfs/dbraw/zinc/87/82/69/607878269.db2.gz XICVJQYQZMAKGL-UHFFFAOYSA-N -1 3 307.313 2.951 20 30 DFEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccccc1-c1nnn[n-]1)C2 ZINC000826293875 607884870 /nfs/dbraw/zinc/88/48/70/607884870.db2.gz DCCGIGZUIKZRHL-NTEUORMPSA-N -1 3 302.337 2.998 20 30 DFEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccccc1-c1nn[n-]n1)C2 ZINC000826293875 607884871 /nfs/dbraw/zinc/88/48/71/607884871.db2.gz DCCGIGZUIKZRHL-NTEUORMPSA-N -1 3 302.337 2.998 20 30 DFEDHM O=C1c2cc(F)ccc2OCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826476279 607885018 /nfs/dbraw/zinc/88/50/18/607885018.db2.gz DWEDKSSZZOZKMT-YRNVUSSQSA-N -1 3 322.299 2.665 20 30 DFEDHM O=C1c2cc(F)ccc2OCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826476279 607885019 /nfs/dbraw/zinc/88/50/19/607885019.db2.gz DWEDKSSZZOZKMT-YRNVUSSQSA-N -1 3 322.299 2.665 20 30 DFEDHM O=C1c2cccc(F)c2CC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826476596 607885127 /nfs/dbraw/zinc/88/51/27/607885127.db2.gz KXURWXOOQKTOFB-FLIBITNWSA-N -1 3 306.300 2.828 20 30 DFEDHM O=C1c2cccc(F)c2CC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826476596 607885128 /nfs/dbraw/zinc/88/51/28/607885128.db2.gz KXURWXOOQKTOFB-FLIBITNWSA-N -1 3 306.300 2.828 20 30 DFEDHM O=C1c2ccccc2OCCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475522 607885193 /nfs/dbraw/zinc/88/51/93/607885193.db2.gz IOVNNWPLKROXAC-QBFSEMIESA-N -1 3 318.336 2.916 20 30 DFEDHM O=C1c2ccccc2OCCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475522 607885194 /nfs/dbraw/zinc/88/51/94/607885194.db2.gz IOVNNWPLKROXAC-QBFSEMIESA-N -1 3 318.336 2.916 20 30 DFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(Cl)nc1 ZINC000826401943 607982306 /nfs/dbraw/zinc/98/23/06/607982306.db2.gz JWGRBXRMLGQDRT-FNORWQNLSA-N 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C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccsc1 ZINC000735550758 599197288 /nfs/dbraw/zinc/19/72/88/599197288.db2.gz LANWZPSECWGWLX-VIFPVBQESA-N -1 3 324.369 2.542 20 30 DFEDHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccsc1 ZINC000735550758 599197289 /nfs/dbraw/zinc/19/72/89/599197289.db2.gz LANWZPSECWGWLX-VIFPVBQESA-N -1 3 324.369 2.542 20 30 DFEDHM C[C@H](C#N)Oc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1 ZINC000817727694 597135723 /nfs/dbraw/zinc/13/57/23/597135723.db2.gz CAOFOGHBRQGYKG-CYBMUJFWSA-N -1 3 310.353 2.965 20 30 DFEDHM Cc1c(C(=O)C=Cc2ccccc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202017 598377095 /nfs/dbraw/zinc/37/70/95/598377095.db2.gz INAVOVGVXLOKHR-MDZDMXLPSA-N -1 3 319.368 2.819 20 30 DFEDHM Cc1c(C(=O)C=Cc2ccccc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202017 598377097 /nfs/dbraw/zinc/37/70/97/598377097.db2.gz INAVOVGVXLOKHR-MDZDMXLPSA-N -1 3 319.368 2.819 20 30 DFEDHM N#CCOc1ccc(CNc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737697681 598521701 /nfs/dbraw/zinc/52/17/01/598521701.db2.gz 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C=CCCCC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000819733872 607397732 /nfs/dbraw/zinc/39/77/32/607397732.db2.gz DJDNZCMAFXYHPH-UHFFFAOYSA-N -1 3 315.377 2.949 20 30 DFEDHM CN(Cc1ccc(OCC#N)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC000737487701 599923376 /nfs/dbraw/zinc/92/33/76/599923376.db2.gz QVKZVJFJPCJUPF-UHFFFAOYSA-N -1 3 310.353 2.919 20 30 DFEDHM N#Cc1c(F)cccc1OCc1cc(-c2nnn[n-]2)ccc1F ZINC000826383268 607863759 /nfs/dbraw/zinc/86/37/59/607863759.db2.gz RYNWHYQEWCKVJK-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM N#Cc1c(F)cccc1OCc1cc(-c2nn[n-]n2)ccc1F ZINC000826383268 607863760 /nfs/dbraw/zinc/86/37/60/607863760.db2.gz RYNWHYQEWCKVJK-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM COCc1cccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737834658 600593718 /nfs/dbraw/zinc/59/37/18/600593718.db2.gz TZRBEAOYSXKHKU-KRWDZBQOSA-N -1 3 310.353 2.620 20 30 DFEDHM O=C1c2cc(F)ccc2CC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823504802 607460837 /nfs/dbraw/zinc/46/08/37/607460837.db2.gz UTVUTMFWBOHUBD-WUXMJOGZSA-N -1 3 324.290 2.967 20 30 DFEDHM O=C1c2cc(F)ccc2CC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823504802 607460840 /nfs/dbraw/zinc/46/08/40/607460840.db2.gz UTVUTMFWBOHUBD-WUXMJOGZSA-N -1 3 324.290 2.967 20 30 DFEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CCC[C@H](C(F)(F)F)C2)c1 ZINC000833074372 601310142 /nfs/dbraw/zinc/31/01/42/601310142.db2.gz WQIBNQQYKNRRLY-QWHCGFSZSA-N -1 3 312.291 2.958 20 30 DFEDHM C[C@H](CN(Cc1ccc(C#N)cc1OC(F)F)C1CC1)C(=O)[O-] ZINC000827448716 601786897 /nfs/dbraw/zinc/78/68/97/601786897.db2.gz CHGPGTCYRFYXHP-SNVBAGLBSA-N -1 3 324.327 2.845 20 30 DFEDHM C[C@H](Oc1ccc(CNCc2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC000833540512 605079305 /nfs/dbraw/zinc/07/93/05/605079305.db2.gz LLFRVIVOJINUDY-ZDUSSCGKSA-N -1 3 310.353 2.700 20 30 DFEDHM CCc1cnccc1[C@@H](C)N[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833672740 605270232 /nfs/dbraw/zinc/27/02/32/605270232.db2.gz DLMFNGUWTRNKAB-SJKOYZFVSA-N -1 3 309.369 2.992 20 30 DFEDHM CN(Cc1ccccc1C(C)(C)C#N)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828388332 605279277 /nfs/dbraw/zinc/27/92/77/605279277.db2.gz SLVAXRCBQCGUNS-CQSZACIVSA-N -1 3 301.390 2.672 20 30 DFEDHM CCc1nc2ccccc2n1N=Cc1cc(-c2nnn[n-]2)cs1 ZINC000821510093 606203932 /nfs/dbraw/zinc/20/39/32/606203932.db2.gz WHEXOKJQNGRCKV-UHFFFAOYSA-N -1 3 323.385 2.723 20 30 DFEDHM CCc1nc2ccccc2n1N=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821510093 606203935 /nfs/dbraw/zinc/20/39/35/606203935.db2.gz WHEXOKJQNGRCKV-UHFFFAOYSA-N -1 3 323.385 2.723 20 30 DFEDHM C=CCCCC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819734072 606253756 /nfs/dbraw/zinc/25/37/56/606253756.db2.gz HOPMIRTVHINXDO-UHFFFAOYSA-N -1 3 313.405 2.962 20 30 DFEDHM C=CCCCC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819734072 606253758 /nfs/dbraw/zinc/25/37/58/606253758.db2.gz HOPMIRTVHINXDO-UHFFFAOYSA-N -1 3 313.405 2.962 20 30 DFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cccc(F)c1 ZINC000822922592 606302632 /nfs/dbraw/zinc/30/26/32/606302632.db2.gz HWZVTCCQHSEPPX-PLNGDYQASA-N -1 3 300.318 2.963 20 30 DFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cccc(F)c1 ZINC000822922592 606302634 /nfs/dbraw/zinc/30/26/34/606302634.db2.gz HWZVTCCQHSEPPX-PLNGDYQASA-N -1 3 300.318 2.963 20 30 DFEDHM Fc1ccc(NN=Cc2ccc(-c3nnn[n-]3)s2)c(F)c1 ZINC000822782724 606367946 /nfs/dbraw/zinc/36/79/46/606367946.db2.gz DFHWKXRASXNBQM-UHFFFAOYSA-N -1 3 306.301 2.652 20 30 DFEDHM Fc1cc(F)cc(NN=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822753255 606370779 /nfs/dbraw/zinc/37/07/79/606370779.db2.gz KPJKNTITHOVZKT-UHFFFAOYSA-N -1 3 306.301 2.652 20 30 DFEDHM Clc1ccccc1CNN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822585630 606371001 /nfs/dbraw/zinc/37/10/01/606371001.db2.gz IAONKIZJIIDXHL-UHFFFAOYSA-N -1 3 318.793 2.705 20 30 DFEDHM C=CCCCC(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000819734321 606396193 /nfs/dbraw/zinc/39/61/93/606396193.db2.gz LVUGBIRYQBZPRM-LBPRGKRZSA-N -1 3 316.361 2.534 20 30 DFEDHM C=CCCCC(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000819734321 606396194 /nfs/dbraw/zinc/39/61/94/606396194.db2.gz LVUGBIRYQBZPRM-LBPRGKRZSA-N -1 3 316.361 2.534 20 30 DFEDHM CCc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)o1 ZINC000821476872 606470315 /nfs/dbraw/zinc/47/03/15/606470315.db2.gz SCQDBHHUWOLIHY-XQRVVYSFSA-N -1 3 300.343 2.980 20 30 DFEDHM C#Cc1cccc(N(CC)C(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000819709775 606507145 /nfs/dbraw/zinc/50/71/45/606507145.db2.gz OSHCXYZNIDMPPB-UHFFFAOYSA-N -1 3 323.381 2.576 20 30 DFEDHM C#Cc1cccc(N(CC)C(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000819709775 606507146 /nfs/dbraw/zinc/50/71/46/606507146.db2.gz OSHCXYZNIDMPPB-UHFFFAOYSA-N -1 3 323.381 2.576 20 30 DFEDHM C[C@H]1C[C@H]1CN=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820667010 606918203 /nfs/dbraw/zinc/91/82/03/606918203.db2.gz KLUVASKVGCPVBQ-YUMQZZPRSA-N -1 3 310.283 2.939 20 30 DFEDHM C[C@H]1C[C@H]1CN=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820667010 606918204 /nfs/dbraw/zinc/91/82/04/606918204.db2.gz KLUVASKVGCPVBQ-YUMQZZPRSA-N -1 3 310.283 2.939 20 30 DFEDHM C=CCCCC(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819733717 606949396 /nfs/dbraw/zinc/94/93/96/606949396.db2.gz AQPUHOBOPZUXMY-UHFFFAOYSA-N -1 3 316.361 2.535 20 30 DFEDHM C=CCCCC(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819733717 606949397 /nfs/dbraw/zinc/94/93/97/606949397.db2.gz AQPUHOBOPZUXMY-UHFFFAOYSA-N -1 3 316.361 2.535 20 30 DFEDHM C=CC[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819730326 607202169 /nfs/dbraw/zinc/20/21/69/607202169.db2.gz VTBDOGGBYFYWIN-QMMMGPOBSA-N -1 3 306.757 2.606 20 30 DFEDHM C=CC[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819730326 607202170 /nfs/dbraw/zinc/20/21/70/607202170.db2.gz VTBDOGGBYFYWIN-QMMMGPOBSA-N -1 3 306.757 2.606 20 30 DFEDHM CCCCCCCCNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825270691 607854472 /nfs/dbraw/zinc/85/44/72/607854472.db2.gz BQPYTXCBGXMDBX-UHFFFAOYSA-N -1 3 315.421 2.886 20 30 DFEDHM CCCCCCCCNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825270691 607854473 /nfs/dbraw/zinc/85/44/73/607854473.db2.gz BQPYTXCBGXMDBX-UHFFFAOYSA-N -1 3 315.421 2.886 20 30 DFEDHM O=C(C=Cc1ccc([O-])c(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826401397 607883950 /nfs/dbraw/zinc/88/39/50/607883950.db2.gz XLTBETNIZOXIFX-XFSBKJJWSA-N -1 3 310.288 2.608 20 30 DFEDHM COc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1F ZINC000826187536 607884272 /nfs/dbraw/zinc/88/42/72/607884272.db2.gz VJNPHVCOKNSEPA-SOFGYWHQSA-N -1 3 324.315 2.911 20 30 DFEDHM COc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1F ZINC000826187536 607884273 /nfs/dbraw/zinc/88/42/73/607884273.db2.gz VJNPHVCOKNSEPA-SOFGYWHQSA-N -1 3 324.315 2.911 20 30 DFEDHM Cc1ccc2c(c1)CC(=Cc1ccccc1-c1nnn[n-]1)C2=O ZINC000826294152 607884967 /nfs/dbraw/zinc/88/49/67/607884967.db2.gz KFCRJVJULPTILN-NTEUORMPSA-N -1 3 302.337 2.998 20 30 DFEDHM Cc1ccc2c(c1)CC(=Cc1ccccc1-c1nn[n-]n1)C2=O ZINC000826294152 607884968 /nfs/dbraw/zinc/88/49/68/607884968.db2.gz KFCRJVJULPTILN-NTEUORMPSA-N -1 3 302.337 2.998 20 30 DFEDHM O=C1c2cc(F)cc(F)c2CC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826476519 607885600 /nfs/dbraw/zinc/88/56/00/607885600.db2.gz JLDQJLDYPNMKDO-BJMVGYQFSA-N -1 3 324.290 2.967 20 30 DFEDHM O=C1c2cc(F)cc(F)c2CC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826476519 607885601 /nfs/dbraw/zinc/88/56/01/607885601.db2.gz JLDQJLDYPNMKDO-BJMVGYQFSA-N -1 3 324.290 2.967 20 30 DFEDHM O=C1C(=Cc2ccccc2-c2nnn[n-]2)Cc2c1c(F)ccc2F ZINC000826476329 607885648 /nfs/dbraw/zinc/88/56/48/607885648.db2.gz FUXJEINPPDTSMV-YFHOEESVSA-N -1 3 324.290 2.967 20 30 DFEDHM O=C1C(=Cc2ccccc2-c2nn[n-]n2)Cc2c1c(F)ccc2F ZINC000826476329 607885649 /nfs/dbraw/zinc/88/56/49/607885649.db2.gz FUXJEINPPDTSMV-YFHOEESVSA-N -1 3 324.290 2.967 20 30 DFEDHM Fc1cc(F)cc(C=NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826372640 607886228 /nfs/dbraw/zinc/88/62/28/607886228.db2.gz GLHFJVZKDAKFRN-UHFFFAOYSA-N -1 3 300.272 2.591 20 30 DFEDHM COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000826187549 607915670 /nfs/dbraw/zinc/91/56/70/607915670.db2.gz VUMJJHGTDZBTRG-OQFOIZHKSA-N -1 3 324.315 2.911 20 30 DFEDHM COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826187549 607915671 /nfs/dbraw/zinc/91/56/71/607915671.db2.gz VUMJJHGTDZBTRG-OQFOIZHKSA-N -1 3 324.315 2.911 20 30 DFEDHM N#Cc1cccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000826386561 607916125 /nfs/dbraw/zinc/91/61/25/607916125.db2.gz JQIAMSOLFYRDDH-FNORWQNLSA-N -1 3 319.299 2.774 20 30 DFEDHM N#Cc1cccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000826386561 607916126 /nfs/dbraw/zinc/91/61/26/607916126.db2.gz JQIAMSOLFYRDDH-FNORWQNLSA-N -1 3 319.299 2.774 20 30 DFEDHM C=C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000823883266 608003702 /nfs/dbraw/zinc/00/37/02/608003702.db2.gz MPTWHJLHCZVTRK-LBPRGKRZSA-N -1 3 320.356 2.560 20 30 DFEDHM C=C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000823883266 608003703 /nfs/dbraw/zinc/00/37/03/608003703.db2.gz MPTWHJLHCZVTRK-LBPRGKRZSA-N -1 3 320.356 2.560 20 30 DFEDHM N#Cc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)s1 ZINC000826384451 608091871 /nfs/dbraw/zinc/09/18/71/608091871.db2.gz WIQMODWIIRZCOX-GQCTYLIASA-N -1 3 307.338 2.696 20 30 DFEDHM N#Cc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)s1 ZINC000826384451 608091872 /nfs/dbraw/zinc/09/18/72/608091872.db2.gz WIQMODWIIRZCOX-GQCTYLIASA-N -1 3 307.338 2.696 20 30 DFEDHM C=CCCC(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823888616 608344290 /nfs/dbraw/zinc/34/42/90/608344290.db2.gz RUWLSUFNTLBECC-UHFFFAOYSA-N -1 3 305.769 2.839 20 30 DFEDHM C=CCCC(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823888616 608344291 /nfs/dbraw/zinc/34/42/91/608344291.db2.gz RUWLSUFNTLBECC-UHFFFAOYSA-N -1 3 305.769 2.839 20 30 DFEDHM N#Cc1c(F)cccc1OCc1cccc(-c2nnn[n-]2)c1F ZINC000826383002 608673179 /nfs/dbraw/zinc/67/31/79/608673179.db2.gz FTWJEJJBIPTBPC-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM N#Cc1c(F)cccc1OCc1cccc(-c2nn[n-]n2)c1F ZINC000826383002 608673180 /nfs/dbraw/zinc/67/31/80/608673180.db2.gz FTWJEJJBIPTBPC-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM Cc1ncsc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826331432 609272325 /nfs/dbraw/zinc/27/23/25/609272325.db2.gz ICYZPHYREPFKNY-SNAWJCMRSA-N -1 3 315.333 2.667 20 30 DFEDHM Cc1ncsc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826331432 609272326 /nfs/dbraw/zinc/27/23/26/609272326.db2.gz ICYZPHYREPFKNY-SNAWJCMRSA-N -1 3 315.333 2.667 20 30 DFEDHM C=C(C)CN(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823872733 609377827 /nfs/dbraw/zinc/37/78/27/609377827.db2.gz CZXAIIDSYWYRAC-UHFFFAOYSA-N -1 3 306.757 2.560 20 30 DFEDHM C=C(C)CN(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823872733 609377829 /nfs/dbraw/zinc/37/78/29/609377829.db2.gz CZXAIIDSYWYRAC-UHFFFAOYSA-N -1 3 306.757 2.560 20 30 DFEDHM Cc1noc(C)c1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826338654 609471916 /nfs/dbraw/zinc/47/19/16/609471916.db2.gz CQTDFMOQFVQICG-UHFFFAOYSA-N -1 3 317.740 2.571 20 30 DFEDHM Cc1noc(C)c1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826338654 609471919 /nfs/dbraw/zinc/47/19/19/609471919.db2.gz CQTDFMOQFVQICG-UHFFFAOYSA-N -1 3 317.740 2.571 20 30 DFEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1nccs1 ZINC000823958359 609472433 /nfs/dbraw/zinc/47/24/33/609472433.db2.gz LCAISJKWOARWBC-UHFFFAOYSA-N -1 3 319.781 2.813 20 30 DFEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1nccs1 ZINC000823958359 609472434 /nfs/dbraw/zinc/47/24/34/609472434.db2.gz LCAISJKWOARWBC-UHFFFAOYSA-N -1 3 319.781 2.813 20 30 DFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1ccc(C#N)o1 ZINC000824324550 609479022 /nfs/dbraw/zinc/47/90/22/609479022.db2.gz PDWXZIXVDOGVLU-UHFFFAOYSA-N -1 3 324.344 2.731 20 30 DFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1ccc(C#N)o1 ZINC000824324550 609479024 /nfs/dbraw/zinc/47/90/24/609479024.db2.gz PDWXZIXVDOGVLU-UHFFFAOYSA-N -1 3 324.344 2.731 20 30 DFEDHM N#CCc1ccc(COc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000826382499 609488715 /nfs/dbraw/zinc/48/87/15/609488715.db2.gz HMTFBUCGMITKJZ-UHFFFAOYSA-N -1 3 309.304 2.651 20 30 DFEDHM N#CCc1ccc(COc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826382499 609488716 /nfs/dbraw/zinc/48/87/16/609488716.db2.gz HMTFBUCGMITKJZ-UHFFFAOYSA-N -1 3 309.304 2.651 20 30 DFEDHM Cc1ccnc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1C#N ZINC000826311695 609564629 /nfs/dbraw/zinc/56/46/29/609564629.db2.gz LHUMGSSWIBKVEQ-NSHDSACASA-N -1 3 305.345 2.615 20 30 DFEDHM Cc1ccnc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1C#N ZINC000826311695 609564632 /nfs/dbraw/zinc/56/46/32/609564632.db2.gz LHUMGSSWIBKVEQ-NSHDSACASA-N -1 3 305.345 2.615 20 30 DFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC000076935854 185058025 /nfs/dbraw/zinc/05/80/25/185058025.db2.gz NTBUXGUZLPJTJK-UHFFFAOYSA-N -1 3 314.366 2.602 20 30 DFEDHM CC[C@H]([N-]S(=O)(=O)c1cccnc1C#N)C1CCCCC1 ZINC000234035151 398358789 /nfs/dbraw/zinc/35/87/89/398358789.db2.gz BGEAERCIUAELOE-ZDUSSCGKSA-N -1 3 307.419 2.590 20 30 DFEDHM COc1cc(C)c(/N=C/c2c([O-])c(C)ncc2CO)cc1OC ZINC000005110749 398350772 /nfs/dbraw/zinc/35/07/72/398350772.db2.gz ZQKMWRRPJVDSOK-UFWORHAWSA-N -1 3 316.357 2.664 20 30 DFEDHM C[C@@H]1CCn2ncc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)c2C1 ZINC000581011487 398386980 /nfs/dbraw/zinc/38/69/80/398386980.db2.gz UJMIVVPVIZVXAM-VXGBXAGGSA-N -1 3 319.368 2.832 20 30 DFEDHM COC(=O)C[C@H](C)/N=C/c1cc(Br)ccc1[O-] ZINC000016936772 398403153 /nfs/dbraw/zinc/40/31/53/398403153.db2.gz 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CCCCc1nc(C(=O)OCC)c(NC(=O)CCCC#N)[n-]1 ZINC000292363973 334187330 /nfs/dbraw/zinc/18/73/30/334187330.db2.gz PZWVCOUMYIIARU-UHFFFAOYSA-N -1 3 306.366 2.561 20 30 DFEDHM CCCCc1nc(NC(=O)CCCC#N)c(C(=O)OCC)[n-]1 ZINC000292363973 334187331 /nfs/dbraw/zinc/18/73/31/334187331.db2.gz PZWVCOUMYIIARU-UHFFFAOYSA-N -1 3 306.366 2.561 20 30 DFEDHM CCn1ncc(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)n1 ZINC000294003343 334204557 /nfs/dbraw/zinc/20/45/57/334204557.db2.gz FAUQCVZCMHJGJO-LLVKDONJSA-N -1 3 315.402 2.945 20 30 DFEDHM CCCOc1ccc(C/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000298627547 334250241 /nfs/dbraw/zinc/25/02/41/334250241.db2.gz CMKPELKJBZREAL-YBFXNURJSA-N -1 3 314.385 2.996 20 30 DFEDHM N#CCc1ccnc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000531928174 334295239 /nfs/dbraw/zinc/29/52/39/334295239.db2.gz CBJLPPNRQVELGS-UHFFFAOYSA-N -1 3 307.353 2.984 20 30 DFEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000416424532 334667364 /nfs/dbraw/zinc/66/73/64/334667364.db2.gz DQORGWCJXRBYTI-MRVPVSSYSA-N -1 3 322.199 2.749 20 30 DFEDHM Cc1ccccc1[C@H](CC(F)(F)F)[N-]S(=O)(=O)[C@H](C)C#N ZINC000416478299 334668421 /nfs/dbraw/zinc/66/84/21/334668421.db2.gz ZZVXDLOAYXBPDI-PWSUYJOCSA-N -1 3 320.336 2.820 20 30 DFEDHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CCc3nncn3C2)c1[O-] ZINC000328926412 334769019 /nfs/dbraw/zinc/76/90/19/334769019.db2.gz FGCNVUDYNIJCCF-SECBINFHSA-N -1 3 306.753 2.796 20 30 DFEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000331329876 334854335 /nfs/dbraw/zinc/85/43/35/334854335.db2.gz SGDVGNYYHWHMOQ-LBPRGKRZSA-N -1 3 321.229 2.961 20 30 DFEDHM CC(=O)c1ccc(C(=O)NC[C@]2(C)CCCC[C@@H]2O)cc1[O-] ZINC000331355349 334858031 /nfs/dbraw/zinc/85/80/31/334858031.db2.gz QNVCGMIHQYXNTD-RDJZCZTQSA-N -1 3 305.374 2.841 20 30 DFEDHM CC(C)C(=O)Nc1cc(C([O-])=C(C#N)c2ccccn2)ccn1 ZINC000344734297 335272300 /nfs/dbraw/zinc/27/23/00/335272300.db2.gz IEJHSABWRQEUCI-ZDUSSCGKSA-N -1 3 308.341 2.561 20 30 DFEDHM CC(C)(C#N)C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000344913909 335285179 /nfs/dbraw/zinc/28/51/79/335285179.db2.gz ZBHJDMJKOBAELL-UHFFFAOYSA-N -1 3 321.229 2.963 20 30 DFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc(C4CC4)[nH]n3)nc21 ZINC000345393311 335322919 /nfs/dbraw/zinc/32/29/19/335322919.db2.gz IUZPBRJKLXKXKT-NSHDSACASA-N -1 3 305.341 2.962 20 30 DFEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000345638985 335338853 /nfs/dbraw/zinc/33/88/53/335338853.db2.gz RLNVNFXAIAZQAQ-SNVBAGLBSA-N -1 3 324.299 2.671 20 30 DFEDHM CCCS(=O)(=O)[N-][C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000346413087 335405683 /nfs/dbraw/zinc/40/56/83/335405683.db2.gz SVJRBWDLZQWHEZ-NSHDSACASA-N -1 3 306.309 2.599 20 30 DFEDHM Cc1cc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)[n-]c(=O)n1 ZINC000347800825 335529381 /nfs/dbraw/zinc/52/93/81/335529381.db2.gz HUHDQLQLUMACPS-UHFFFAOYSA-N -1 3 316.405 2.719 20 30 DFEDHM N#CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000519278903 335827162 /nfs/dbraw/zinc/82/71/62/335827162.db2.gz HIOVTPVISDTAAE-UHFFFAOYSA-N -1 3 305.186 2.575 20 30 DFEDHM C=C(C)CN(C)Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000351066563 336010670 /nfs/dbraw/zinc/01/06/70/336010670.db2.gz STTRPOZSQYJZOB-UHFFFAOYSA-N -1 3 309.373 2.529 20 30 DFEDHM CCc1ccc(S(=O)(=O)[N-][C@](C)(C#N)CCSC)s1 ZINC000351161575 336018550 /nfs/dbraw/zinc/01/85/50/336018550.db2.gz GEPNRWHYTLEMFE-LBPRGKRZSA-N -1 3 318.489 2.624 20 30 DFEDHM Cc1cn(C2CCCCC2)nc1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000329754747 336078309 /nfs/dbraw/zinc/07/83/09/336078309.db2.gz KYRPATBLTVOLPU-NSHDSACASA-N -1 3 319.365 2.928 20 30 DFEDHM O=C(NCc1ccc(N2CCCCC2)nc1)c1csc(=O)[n-]1 ZINC000329904721 336093770 /nfs/dbraw/zinc/09/37/70/336093770.db2.gz JFTJODSDGWKGSM-UHFFFAOYSA-N -1 3 318.402 2.739 20 30 DFEDHM CC[C@H]1OCCC[C@@H]1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000330277723 336132677 /nfs/dbraw/zinc/13/26/77/336132677.db2.gz OQQVUHQQKLLTNE-CMPLNLGQSA-N -1 3 301.350 2.660 20 30 DFEDHM CC[C@H]1OCCC[C@@H]1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000330277723 336132678 /nfs/dbraw/zinc/13/26/78/336132678.db2.gz OQQVUHQQKLLTNE-CMPLNLGQSA-N -1 3 301.350 2.660 20 30 DFEDHM CC[C@H]1OCCC[C@@H]1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000330277723 336132680 /nfs/dbraw/zinc/13/26/80/336132680.db2.gz OQQVUHQQKLLTNE-CMPLNLGQSA-N -1 3 301.350 2.660 20 30 DFEDHM C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000352788562 336236720 /nfs/dbraw/zinc/23/67/20/336236720.db2.gz ABCWKWAYWFQCOP-CYBMUJFWSA-N -1 3 317.389 2.715 20 30 DFEDHM Cc1ccc([O-])c(NC(=O)[C@@]2(C#N)CCc3ccccc3C2)n1 ZINC000368283071 336841740 /nfs/dbraw/zinc/84/17/40/336841740.db2.gz IHEMOFVDKRLDTK-SFHVURJKSA-N -1 3 307.353 2.733 20 30 DFEDHM C=CCCS(=O)(=O)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000120355880 336908764 /nfs/dbraw/zinc/90/87/64/336908764.db2.gz VQVKTXAYSHURAX-CYBMUJFWSA-N -1 3 308.428 2.728 20 30 DFEDHM C#CCC(CC#C)C(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000376603394 337037781 /nfs/dbraw/zinc/03/77/81/337037781.db2.gz ZQTNDNDLXIBRJP-UHFFFAOYSA-N -1 3 319.364 2.759 20 30 DFEDHM CC(C)(C#N)[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000582705223 337122754 /nfs/dbraw/zinc/12/27/54/337122754.db2.gz FHNJERWTRBSZDF-UHFFFAOYSA-N -1 3 307.202 2.715 20 30 DFEDHM Cc1onc(-c2ccncc2)c1C([O-])=C(C#N)c1ccccn1 ZINC000132190800 337441404 /nfs/dbraw/zinc/44/14/04/337441404.db2.gz BENNAXBIESZTGV-CYBMUJFWSA-N -1 3 304.309 2.930 20 30 DFEDHM C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(OC)cc1[O-] ZINC000121326205 337891796 /nfs/dbraw/zinc/89/17/96/337891796.db2.gz CTXMAAVQBUHBSP-UHFFFAOYSA-N -1 3 313.328 2.816 20 30 DFEDHM C=CCN(CCc1ccco1)C(=O)c1ccc(OC)cc1[O-] ZINC000436978942 338296606 /nfs/dbraw/zinc/29/66/06/338296606.db2.gz IPASSGGOIRCGER-UHFFFAOYSA-N -1 3 301.342 2.865 20 30 DFEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000437502829 338311838 /nfs/dbraw/zinc/31/18/38/338311838.db2.gz WAJKDLSTYYSOAN-KSSFIOAISA-N -1 3 321.392 2.951 20 30 DFEDHM C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000451022760 338717830 /nfs/dbraw/zinc/71/78/30/338717830.db2.gz IYSKZICPFVJNFR-JMCQJSRRSA-N -1 3 300.236 2.779 20 30 DFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000451389996 338732297 /nfs/dbraw/zinc/73/22/97/338732297.db2.gz BILSDPICADKLSO-LBPRGKRZSA-N -1 3 306.362 2.949 20 30 DFEDHM N#CCC[C@@H](NC(=O)/C=C\c1cncc([O-])c1)c1ccccc1 ZINC000492474558 339901646 /nfs/dbraw/zinc/90/16/46/339901646.db2.gz OSHNRYTVJWPYOY-XZVRFQMRSA-N -1 3 307.353 2.962 20 30 DFEDHM C#CCO[N-]C(=O)/C=C\c1cc(Cl)c(OCCC)c(OC)c1 ZINC000493048996 339915965 /nfs/dbraw/zinc/91/59/65/339915965.db2.gz NMVKOBSOOLSCBJ-SREVYHEPSA-N -1 3 323.776 2.832 20 30 DFEDHM C=C[C@H](C)ON=C([O-])Nc1ccc(CNC(=O)OC(C)C)cc1 ZINC000496365324 340003933 /nfs/dbraw/zinc/00/39/33/340003933.db2.gz SGBQVHHFAVCSET-LBPRGKRZSA-N -1 3 321.377 2.949 20 30 DFEDHM C=C[C@H](C)O[N-]C(=O)Nc1ccc(CNC(=O)OC(C)C)cc1 ZINC000496365324 340003934 /nfs/dbraw/zinc/00/39/34/340003934.db2.gz SGBQVHHFAVCSET-LBPRGKRZSA-N -1 3 321.377 2.949 20 30 DFEDHM C=C[C@@H](C)O[N-]C(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000496766983 340012432 /nfs/dbraw/zinc/01/24/32/340012432.db2.gz ORSRCLADMFENIC-CHWSQXEVSA-N -1 3 324.421 2.646 20 30 DFEDHM C=C[C@@H](C)O[N-]C(=O)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000496774455 340012648 /nfs/dbraw/zinc/01/26/48/340012648.db2.gz RRTZACSORGLZMJ-CHWSQXEVSA-N -1 3 312.410 2.646 20 30 DFEDHM C=C(C)CN(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000183319232 340487440 /nfs/dbraw/zinc/48/74/40/340487440.db2.gz ZPZFYNPEELDKCH-UHFFFAOYSA-N -1 3 313.195 2.872 20 30 DFEDHM C=CCCCCCNC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000522013707 340562551 /nfs/dbraw/zinc/56/25/51/340562551.db2.gz JDTUIDSGQCHGEF-UHFFFAOYSA-N -1 3 310.419 2.534 20 30 DFEDHM Cc1ccc2oc(C[N-]S(=O)(=O)CC3(C#N)CCC3)cc2c1 ZINC000569259530 341695745 /nfs/dbraw/zinc/69/57/45/341695745.db2.gz CWANVFVEXYOFFN-UHFFFAOYSA-N -1 3 318.398 2.855 20 30 DFEDHM CC(C)c1ccc(C[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000318533498 528101101 /nfs/dbraw/zinc/10/11/01/528101101.db2.gz IERNBNYHCGYJQM-UHFFFAOYSA-N -1 3 315.398 2.555 20 30 DFEDHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230349907 535727421 /nfs/dbraw/zinc/72/74/21/535727421.db2.gz ZMMLIPPUULERCS-MNOVXSKESA-N -1 3 316.473 2.572 20 30 DFEDHM CCc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736691619 598914008 /nfs/dbraw/zinc/91/40/08/598914008.db2.gz XLSWDJMOWPZJKS-UHFFFAOYSA-N -1 3 318.340 2.553 20 30 DFEDHM CCc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736691619 598914009 /nfs/dbraw/zinc/91/40/09/598914009.db2.gz XLSWDJMOWPZJKS-UHFFFAOYSA-N -1 3 318.340 2.553 20 30 DFEDHM CC#CCSc1nc(C)cc(C(F)(F)F)c1-c1nnn[n-]1 ZINC000735449550 599067040 /nfs/dbraw/zinc/06/70/40/599067040.db2.gz QSKWVLBORANLFS-UHFFFAOYSA-N -1 3 313.308 2.704 20 30 DFEDHM COCc1cccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821695938 599110869 /nfs/dbraw/zinc/11/08/69/599110869.db2.gz OAXJKSDSQRKYNR-CMDGGOBGSA-N -1 3 320.352 2.909 20 30 DFEDHM COCc1cccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821695938 599110871 /nfs/dbraw/zinc/11/08/71/599110871.db2.gz OAXJKSDSQRKYNR-CMDGGOBGSA-N -1 3 320.352 2.909 20 30 DFEDHM COc1ccc(C=CC(=O)c2cccs2)cc1-c1nnn[n-]1 ZINC000737082075 599150810 /nfs/dbraw/zinc/15/08/10/599150810.db2.gz UAYUSCNXUSVDMX-XQRVVYSFSA-N -1 3 312.354 2.833 20 30 DFEDHM COc1ccc(C=CC(=O)c2cccs2)cc1-c1nn[n-]n1 ZINC000737082075 599150813 /nfs/dbraw/zinc/15/08/13/599150813.db2.gz UAYUSCNXUSVDMX-XQRVVYSFSA-N -1 3 312.354 2.833 20 30 DFEDHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736262487 599198653 /nfs/dbraw/zinc/19/86/53/599198653.db2.gz NADUJWCJEDFEMS-NWDGAFQWSA-N -1 3 324.388 2.893 20 30 DFEDHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736262487 599198655 /nfs/dbraw/zinc/19/86/55/599198655.db2.gz NADUJWCJEDFEMS-NWDGAFQWSA-N -1 3 324.388 2.893 20 30 DFEDHM C[C@H]1CCC[C@H](CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC000736253973 599198755 /nfs/dbraw/zinc/19/87/55/599198755.db2.gz WYVXVZSQSFSBPX-RYUDHWBXSA-N -1 3 324.388 2.893 20 30 DFEDHM C[C@H]1CCC[C@H](CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC000736253973 599198758 /nfs/dbraw/zinc/19/87/58/599198758.db2.gz WYVXVZSQSFSBPX-RYUDHWBXSA-N -1 3 324.388 2.893 20 30 DFEDHM C=CC[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735410190 599215741 /nfs/dbraw/zinc/21/57/41/599215741.db2.gz WPYDIOQGRWNVGP-QMMMGPOBSA-N -1 3 306.757 2.606 20 30 DFEDHM C=CC[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735410190 599215744 /nfs/dbraw/zinc/21/57/44/599215744.db2.gz WPYDIOQGRWNVGP-QMMMGPOBSA-N -1 3 306.757 2.606 20 30 DFEDHM Cc1c(NC(=O)C2(C#N)CCCCC2)cccc1-c1nnn[n-]1 ZINC000822060431 607296358 /nfs/dbraw/zinc/29/63/58/607296358.db2.gz HELGXMIDLIBCQL-UHFFFAOYSA-N -1 3 310.361 2.588 20 30 DFEDHM Cc1c(NC(=O)C2(C#N)CCCCC2)cccc1-c1nn[n-]n1 ZINC000822060431 607296359 /nfs/dbraw/zinc/29/63/59/607296359.db2.gz HELGXMIDLIBCQL-UHFFFAOYSA-N -1 3 310.361 2.588 20 30 DFEDHM O=C(C=Cc1cccnc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000737803576 598309063 /nfs/dbraw/zinc/30/90/63/598309063.db2.gz UOSOOGWUIPXCDA-SREVYHEPSA-N -1 3 311.732 2.811 20 30 DFEDHM O=C(C=Cc1cccnc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000737803576 598309064 /nfs/dbraw/zinc/30/90/64/598309064.db2.gz UOSOOGWUIPXCDA-SREVYHEPSA-N -1 3 311.732 2.811 20 30 DFEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1sc(C)nc1C ZINC000735451181 598363029 /nfs/dbraw/zinc/36/30/29/598363029.db2.gz RTJKQFMDPLPXKD-UHFFFAOYSA-N -1 3 313.390 2.776 20 30 DFEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1sc(C)nc1C ZINC000735451181 598363031 /nfs/dbraw/zinc/36/30/31/598363031.db2.gz RTJKQFMDPLPXKD-UHFFFAOYSA-N -1 3 313.390 2.776 20 30 DFEDHM Cc1c(C(=O)C=Cc2ccccc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202013 598377277 /nfs/dbraw/zinc/37/72/77/598377277.db2.gz INAVOVGVXLOKHR-KTKRTIGZSA-N -1 3 319.368 2.819 20 30 DFEDHM Cc1c(C(=O)C=Cc2ccccc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202013 598377279 /nfs/dbraw/zinc/37/72/79/598377279.db2.gz INAVOVGVXLOKHR-KTKRTIGZSA-N -1 3 319.368 2.819 20 30 DFEDHM C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000736163896 598492010 /nfs/dbraw/zinc/49/20/10/598492010.db2.gz SGTULVOYVDQUIF-NSHDSACASA-N -1 3 319.324 2.656 20 30 DFEDHM C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000736163896 598492012 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OWPSTVBVEFANCB-UHFFFAOYSA-N -1 3 324.731 2.644 20 30 DFEDHM COc1cccc(O)c1C=Nc1cccc(-c2nnn[n-]2)c1C ZINC000821872422 607251347 /nfs/dbraw/zinc/25/13/47/607251347.db2.gz MDYBPJWYGIQMOJ-UHFFFAOYSA-N -1 3 309.329 2.640 20 30 DFEDHM COc1cccc(O)c1C=Nc1cccc(-c2nn[n-]n2)c1C ZINC000821872422 607251348 /nfs/dbraw/zinc/25/13/48/607251348.db2.gz MDYBPJWYGIQMOJ-UHFFFAOYSA-N -1 3 309.329 2.640 20 30 DFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(Cl)nc1 ZINC000826401942 607982086 /nfs/dbraw/zinc/98/20/86/607982086.db2.gz JWGRBXRMLGQDRT-ALCCZGGFSA-N -1 3 311.732 2.811 20 30 DFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(Cl)nc1 ZINC000826401942 607982087 /nfs/dbraw/zinc/98/20/87/607982087.db2.gz JWGRBXRMLGQDRT-ALCCZGGFSA-N -1 3 311.732 2.811 20 30 DFEDHM CC(C)(C)CN(CCC#N)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000824086546 607986866 /nfs/dbraw/zinc/98/68/66/607986866.db2.gz NFGLDFQKAAIIEZ-UHFFFAOYSA-N -1 3 319.800 2.681 20 30 DFEDHM CC(C)(C)CN(CCC#N)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000824086546 607986867 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C[C@@H](CC#N)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824384987 608290731 /nfs/dbraw/zinc/29/07/31/608290731.db2.gz JHHDVOSEPATEND-ZDUSSCGKSA-N -1 3 318.384 2.925 20 30 DFEDHM C=CCCC[C@@H](C)OC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823894249 608332885 /nfs/dbraw/zinc/33/28/85/608332885.db2.gz LJVKKDXQMJPCJP-GFCCVEGCSA-N -1 3 300.362 2.697 20 30 DFEDHM C=CCCC[C@@H](C)OC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823894249 608332887 /nfs/dbraw/zinc/33/28/87/608332887.db2.gz LJVKKDXQMJPCJP-GFCCVEGCSA-N -1 3 300.362 2.697 20 30 DFEDHM N#Cc1cccc(CSc2ccc(-c3nnn[n-]3)cn2)c1F ZINC000826386415 608397002 /nfs/dbraw/zinc/39/70/02/608397002.db2.gz CPMHHUUOPJQCRK-UHFFFAOYSA-N -1 3 312.333 2.565 20 30 DFEDHM N#Cc1cccc(CSc2ccc(-c3nn[n-]n3)cn2)c1F ZINC000826386415 608397003 /nfs/dbraw/zinc/39/70/03/608397003.db2.gz CPMHHUUOPJQCRK-UHFFFAOYSA-N -1 3 312.333 2.565 20 30 DFEDHM CC(C)(CCC#N)CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824152831 608538703 /nfs/dbraw/zinc/53/87/03/608538703.db2.gz PAANQWDOJPTUGV-UHFFFAOYSA-N -1 3 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/nfs/dbraw/zinc/86/78/38/608867838.db2.gz UNDDMHYIZPOSIM-UHFFFAOYSA-N -1 3 319.368 2.881 20 30 DFEDHM C#CCCOc1ccc(CNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823845476 608867841 /nfs/dbraw/zinc/86/78/41/608867841.db2.gz UNDDMHYIZPOSIM-UHFFFAOYSA-N -1 3 319.368 2.881 20 30 DFEDHM C#CCCCCCC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000823841986 609135054 /nfs/dbraw/zinc/13/50/54/609135054.db2.gz WTCMVOSNUNUSHJ-UHFFFAOYSA-N -1 3 316.336 2.633 20 30 DFEDHM C#CCCCCCC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000823841986 609135055 /nfs/dbraw/zinc/13/50/55/609135055.db2.gz WTCMVOSNUNUSHJ-UHFFFAOYSA-N -1 3 316.336 2.633 20 30 DFEDHM CC(=NNCc1cccc(C)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823954104 609161058 /nfs/dbraw/zinc/16/10/58/609161058.db2.gz ZIKVROCGVNPNMV-UHFFFAOYSA-N -1 3 324.363 2.828 20 30 DFEDHM CC(=NNCc1cccc(C)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823954104 609161060 /nfs/dbraw/zinc/16/10/60/609161060.db2.gz ZIKVROCGVNPNMV-UHFFFAOYSA-N -1 3 324.363 2.828 20 30 DFEDHM N#Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 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311.389 2.628 20 30 DFEDHM CC(=NNc1ccc2n[nH]cc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000823958093 609521030 /nfs/dbraw/zinc/52/10/30/609521030.db2.gz BPTMZPFTKCOXTI-UHFFFAOYSA-N -1 3 318.344 2.579 20 30 DFEDHM CC(=NNc1ccc2n[nH]cc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000823958093 609521032 /nfs/dbraw/zinc/52/10/32/609521032.db2.gz BPTMZPFTKCOXTI-UHFFFAOYSA-N -1 3 318.344 2.579 20 30 DFEDHM C#CCCCCCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823840922 609570322 /nfs/dbraw/zinc/57/03/22/609570322.db2.gz GQRKQEHJADJFIH-ZDUSSCGKSA-N -1 3 311.389 2.628 20 30 DFEDHM C#CCCCCCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823840922 609570325 /nfs/dbraw/zinc/57/03/25/609570325.db2.gz GQRKQEHJADJFIH-ZDUSSCGKSA-N -1 3 311.389 2.628 20 30 DFEDHM CCC(CC)CN(CCC#N)c1nccc(C)c1-c1nnn[n-]1 ZINC000825106841 609579699 /nfs/dbraw/zinc/57/96/99/609579699.db2.gz JPZNFWZCLGHQGO-UHFFFAOYSA-N -1 3 313.409 2.726 20 30 DFEDHM CCC(CC)CN(CCC#N)c1nccc(C)c1-c1nn[n-]n1 ZINC000825106841 609579700 /nfs/dbraw/zinc/57/97/00/609579700.db2.gz 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O=C(Cc1c(F)cccc1F)Nc1nc(C(F)(F)F)n[n-]1 ZINC000087167886 398426770 /nfs/dbraw/zinc/42/67/70/398426770.db2.gz ANXVLXJRPGGRSY-UHFFFAOYSA-N -1 3 306.194 2.932 20 30 DFEDHM N#Cc1ccncc1C(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000588814446 398508821 /nfs/dbraw/zinc/50/88/21/398508821.db2.gz LKTCIBVRQWWMGD-UHFFFAOYSA-N -1 3 321.365 2.648 20 30 DFEDHM N#Cc1ccc(OC2CCN(Cc3ncccc3[O-])CC2)cc1 ZINC000589163480 398531355 /nfs/dbraw/zinc/53/13/55/398531355.db2.gz HAYPPIXVDIEWRH-UHFFFAOYSA-N -1 3 309.369 2.702 20 30 DFEDHM N#Cc1cccc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)n1 ZINC000589469076 398555155 /nfs/dbraw/zinc/55/51/55/398555155.db2.gz HWZNCEVAYXJSKX-SREVYHEPSA-N -1 3 323.337 2.820 20 30 DFEDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CCCCCC#N)c1 ZINC000589839528 398578896 /nfs/dbraw/zinc/57/88/96/398578896.db2.gz KPGXAZJZJOKRJI-UHFFFAOYSA-N -1 3 323.418 2.779 20 30 DFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1)C(F)(F)F ZINC000593278838 398587942 /nfs/dbraw/zinc/58/79/42/398587942.db2.gz BTGOFAXISXNQDM-SECBINFHSA-N -1 3 320.336 2.717 20 30 DFEDHM CSc1ccc([O-])c(C(=O)NC2(C#N)CCSCC2)c1 ZINC000597444326 398642153 /nfs/dbraw/zinc/64/21/53/398642153.db2.gz ZOFFZYNXHNZQFN-UHFFFAOYSA-N -1 3 308.428 2.633 20 30 DFEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1c1ccccc1 ZINC000593600913 398660917 /nfs/dbraw/zinc/66/09/17/398660917.db2.gz CKDDUEMKFFDJJF-STQMWFEESA-N -1 3 318.423 2.702 20 30 DFEDHM CC[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)c1nccs1 ZINC000080276765 192020168 /nfs/dbraw/zinc/02/01/68/192020168.db2.gz BYCOHVIBQQEHNU-ZDUSSCGKSA-N -1 3 321.427 2.585 20 30 DFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000594721656 398848774 /nfs/dbraw/zinc/84/87/74/398848774.db2.gz VIQCFZUFJYKOHB-GFCCVEGCSA-N -1 3 318.801 2.837 20 30 DFEDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CC1(F)F ZINC000594850843 398862470 /nfs/dbraw/zinc/86/24/70/398862470.db2.gz GOCHPPDBFHZNIE-NSHDSACASA-N -1 3 320.748 2.535 20 30 DFEDHM CC(C)(F)CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000594844166 398862652 /nfs/dbraw/zinc/86/26/52/398862652.db2.gz 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CC1=NN(c2ccc(C([O-])=C(C#N)c3ccncn3)cc2)CC1 ZINC000354476674 428992215 /nfs/dbraw/zinc/99/22/15/428992215.db2.gz ZZBNVSDXSYGBDH-OAHLLOKOSA-N -1 3 305.341 2.553 20 30 DFEDHM Cc1c(C[N-]S(=O)(=O)CC2(C#N)CCC2)oc2ccccc12 ZINC000349591828 429009614 /nfs/dbraw/zinc/00/96/14/429009614.db2.gz VQXINWWNCWKAAD-UHFFFAOYSA-N -1 3 318.398 2.855 20 30 DFEDHM Cc1nn(CC(F)F)c(C)c1C([O-])=C(C#N)c1ccccn1 ZINC000355294566 429037470 /nfs/dbraw/zinc/03/74/70/429037470.db2.gz HYSQWYSOCFDIKO-NSHDSACASA-N -1 3 304.300 2.650 20 30 DFEDHM Cc1nn(CC(F)F)c(C)c1C([O-])=C(C#N)c1ccccn1 ZINC000355294565 429038588 /nfs/dbraw/zinc/03/85/88/429038588.db2.gz HYSQWYSOCFDIKO-LLVKDONJSA-N -1 3 304.300 2.650 20 30 DFEDHM Cc1cc(NC(=O)c2cc([O-])c3ccccc3c2)nn1CCC#N ZINC000355507656 429050872 /nfs/dbraw/zinc/05/08/72/429050872.db2.gz KINPUDHNIIHYSM-UHFFFAOYSA-N -1 3 320.352 3.216 20 30 DFEDHM CCCOc1cc(OC)ccc1C([O-])=C(C#N)c1ccncn1 ZINC000355530559 429051148 /nfs/dbraw/zinc/05/11/48/429051148.db2.gz BMOKELCLHRRCCE-AWEZNQCLSA-N -1 3 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N#Cc1cc(NCc2cccc(-c3nn[n-]n3)c2F)ccc1F ZINC000826384495 609480183 /nfs/dbraw/zinc/48/01/83/609480183.db2.gz XVDKWUYOFIWHAL-UHFFFAOYSA-N -1 3 312.283 2.629 20 30 DFEDHM C[C@H](C#N)Oc1ccccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000824035525 609512281 /nfs/dbraw/zinc/51/22/81/609512281.db2.gz ZFZPXMGPOFDDBS-GFCCVEGCSA-N -1 3 320.356 2.770 20 30 DFEDHM C[C@H](C#N)Oc1ccccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000824035525 609512282 /nfs/dbraw/zinc/51/22/82/609512282.db2.gz ZFZPXMGPOFDDBS-GFCCVEGCSA-N -1 3 320.356 2.770 20 30 DFEDHM CC(=NNc1ccc2n[nH]cc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823958592 609521417 /nfs/dbraw/zinc/52/14/17/609521417.db2.gz RRKQIANBFTTYER-UHFFFAOYSA-N -1 3 318.344 2.579 20 30 DFEDHM CC(=NNc1ccc2n[nH]cc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823958592 609521418 /nfs/dbraw/zinc/52/14/18/609521418.db2.gz RRKQIANBFTTYER-UHFFFAOYSA-N -1 3 318.344 2.579 20 30 DFEDHM COc1ccc(F)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000088279695 185244667 /nfs/dbraw/zinc/24/46/67/185244667.db2.gz 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ZINC000331177611 427363913 /nfs/dbraw/zinc/36/39/13/427363913.db2.gz QDYJHGQIVHKRES-QMMMGPOBSA-N -1 3 305.304 2.502 20 30 DFEDHM CC[C@H]1CCCCN1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000331177611 427363917 /nfs/dbraw/zinc/36/39/17/427363917.db2.gz QDYJHGQIVHKRES-QMMMGPOBSA-N -1 3 305.304 2.502 20 30 DFEDHM CC[C@H]1CCCCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000331177611 427363923 /nfs/dbraw/zinc/36/39/23/427363923.db2.gz QDYJHGQIVHKRES-QMMMGPOBSA-N -1 3 305.304 2.502 20 30 DFEDHM CCN(C(=O)NCc1nnc(C(F)(F)F)[n-]1)[C@@H](C)C(C)C ZINC000331196370 427368034 /nfs/dbraw/zinc/36/80/34/427368034.db2.gz ZARKNMRSSXONFQ-QMMMGPOBSA-N -1 3 307.320 2.604 20 30 DFEDHM CCN(C(=O)NCc1n[n-]c(C(F)(F)F)n1)[C@@H](C)C(C)C ZINC000331196370 427368042 /nfs/dbraw/zinc/36/80/42/427368042.db2.gz ZARKNMRSSXONFQ-QMMMGPOBSA-N -1 3 307.320 2.604 20 30 DFEDHM CCN(C(=O)NCc1nc(C(F)(F)F)n[n-]1)[C@@H](C)C(C)C ZINC000331196370 427368049 /nfs/dbraw/zinc/36/80/49/427368049.db2.gz ZARKNMRSSXONFQ-QMMMGPOBSA-N -1 3 307.320 2.604 20 30 DFEDHM C[C@@H]1CCC[C@H](N(C)C(=O)NCc2nnc(C(F)(F)F)[n-]2)C1 ZINC000331192946 427368169 /nfs/dbraw/zinc/36/81/69/427368169.db2.gz XUEXENSPPJZFEX-BDAKNGLRSA-N -1 3 319.331 2.748 20 30 DFEDHM C[C@@H]1CCC[C@H](N(C)C(=O)NCc2n[n-]c(C(F)(F)F)n2)C1 ZINC000331192946 427368175 /nfs/dbraw/zinc/36/81/75/427368175.db2.gz XUEXENSPPJZFEX-BDAKNGLRSA-N -1 3 319.331 2.748 20 30 DFEDHM C[C@@H]1CCC[C@H](N(C)C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000331192946 427368184 /nfs/dbraw/zinc/36/81/84/427368184.db2.gz XUEXENSPPJZFEX-BDAKNGLRSA-N -1 3 319.331 2.748 20 30 DFEDHM Cc1nsc([N-]C(=O)Nc2cc([C@H]3C[C@H]3C)[nH]n2)c1C#N ZINC000294079626 427541937 /nfs/dbraw/zinc/54/19/37/427541937.db2.gz AAKYCEBWVHRLBW-SVRRBLITSA-N -1 3 302.363 2.814 20 30 DFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCCCC2)s1 ZINC000333304061 427631520 /nfs/dbraw/zinc/63/15/20/427631520.db2.gz UCBJECUCNLSDAD-QWHCGFSZSA-N -1 3 310.444 2.867 20 30 DFEDHM COCc1ncc(C(=O)[N-]c2sc3c(c2C#N)CCC3)s1 ZINC000288039467 427731409 /nfs/dbraw/zinc/73/14/09/427731409.db2.gz DIVWGVBLRKRCHB-UHFFFAOYSA-N -1 3 319.411 2.964 20 30 DFEDHM CC[C@H]1CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000340555578 427879063 /nfs/dbraw/zinc/87/90/63/427879063.db2.gz IASCIVGYBYMTPO-ZDUSSCGKSA-N -1 3 301.390 2.609 20 30 DFEDHM N#Cc1ccnc(C(=O)[N-]c2nc(-c3cccs3)ns2)c1 ZINC000355823259 427908970 /nfs/dbraw/zinc/90/89/70/427908970.db2.gz WFQSTIKRJOQFOQ-UHFFFAOYSA-N -1 3 313.367 2.786 20 30 DFEDHM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)ccc2[nH]1 ZINC000340151700 427938847 /nfs/dbraw/zinc/93/88/47/427938847.db2.gz ODEOZHNTIBJJEX-UHFFFAOYSA-N -1 3 312.354 2.544 20 30 DFEDHM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2[nH]1 ZINC000340151700 427938852 /nfs/dbraw/zinc/93/88/52/427938852.db2.gz ODEOZHNTIBJJEX-UHFFFAOYSA-N -1 3 312.354 2.544 20 30 DFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC2(CC2)CC1 ZINC000369767392 428058396 /nfs/dbraw/zinc/05/83/96/428058396.db2.gz RVJRLIGDGIMGTJ-UHFFFAOYSA-N -1 3 313.401 2.611 20 30 DFEDHM COc1cc(C(=O)N2C[C@@H](C#N)[C@@H](c3ccccc3)C2)ccc1[O-] ZINC000346402809 428158073 /nfs/dbraw/zinc/15/80/73/428158073.db2.gz BEKCQYSQHHEKIS-HZPDHXFCSA-N -1 3 322.364 2.780 20 30 DFEDHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)c3cccc(C#N)c3)[n-]2)o1 ZINC000360359967 428265248 /nfs/dbraw/zinc/26/52/48/428265248.db2.gz BPMOOKLTSAHDNI-NSHDSACASA-N -1 3 321.340 2.987 20 30 DFEDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)c3cccc(C#N)c3)n2)o1 ZINC000360359967 428265251 /nfs/dbraw/zinc/26/52/51/428265251.db2.gz BPMOOKLTSAHDNI-NSHDSACASA-N -1 3 321.340 2.987 20 30 DFEDHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)c3cccc(C#N)c3)n[n-]2)o1 ZINC000360359967 428265254 /nfs/dbraw/zinc/26/52/54/428265254.db2.gz BPMOOKLTSAHDNI-NSHDSACASA-N -1 3 321.340 2.987 20 30 DFEDHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cc(F)ccc1[O-] ZINC000356619898 428257520 /nfs/dbraw/zinc/25/75/20/428257520.db2.gz LVTIHMUHRDFGKY-INIZCTEOSA-N -1 3 322.336 2.731 20 30 DFEDHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cc(F)ccc1[O-] ZINC000356619919 428257527 /nfs/dbraw/zinc/25/75/27/428257527.db2.gz LVTIHMUHRDFGKY-MRXNPFEDSA-N -1 3 322.336 2.731 20 30 DFEDHM C=CCN(CCc1ccco1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000353111312 428389242 /nfs/dbraw/zinc/38/92/42/428389242.db2.gz LDBKBLTXTXLPKU-UHFFFAOYSA-N -1 3 322.364 2.992 20 30 DFEDHM Cc1cccc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1[O-] ZINC000378300446 428357329 /nfs/dbraw/zinc/35/73/29/428357329.db2.gz AQEJKBHXTPYXPA-QGZVFWFLSA-N -1 3 322.364 2.786 20 30 DFEDHM CCOc1nc2cc(C(=O)N(C)CC(C)(C)C#N)ccc2[n-]1 ZINC000353243529 428447482 /nfs/dbraw/zinc/44/74/82/428447482.db2.gz FXHNUWTTXALUBZ-UHFFFAOYSA-N -1 3 300.362 2.583 20 30 DFEDHM CCOc1nc2ccc(C(=O)N(C)CC(C)(C)C#N)cc2[n-]1 ZINC000353243529 428447487 /nfs/dbraw/zinc/44/74/87/428447487.db2.gz FXHNUWTTXALUBZ-UHFFFAOYSA-N -1 3 300.362 2.583 20 30 DFEDHM C=CCCOCCCCC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000342833348 428465009 /nfs/dbraw/zinc/46/50/09/428465009.db2.gz ZBSUOYCIICHQIZ-UHFFFAOYSA-N -1 3 304.350 2.766 20 30 DFEDHM C=CCCOCCCCC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000342833348 428465012 /nfs/dbraw/zinc/46/50/12/428465012.db2.gz ZBSUOYCIICHQIZ-UHFFFAOYSA-N -1 3 304.350 2.766 20 30 DFEDHM C=CCCOCCCCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000342833348 428465016 /nfs/dbraw/zinc/46/50/16/428465016.db2.gz ZBSUOYCIICHQIZ-UHFFFAOYSA-N -1 3 304.350 2.766 20 30 DFEDHM Cc1ccc2[n-]cc(C(=O)N(C[C@H](C)C#N)C3CC3)c(=O)c2c1 ZINC000342403769 428425916 /nfs/dbraw/zinc/42/59/16/428425916.db2.gz PSYKVKVZIUTLCG-GFCCVEGCSA-N -1 3 309.369 2.601 20 30 DFEDHM COc1ncc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1Cl ZINC000342462305 428428555 /nfs/dbraw/zinc/42/85/55/428428555.db2.gz NNTIIALLIUHXCC-NSHDSACASA-N -1 3 316.748 2.641 20 30 DFEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000357562252 428545424 /nfs/dbraw/zinc/54/54/24/428545424.db2.gz YXRYCMOKDMPUNI-CYBMUJFWSA-N -1 3 316.785 2.591 20 30 DFEDHM N#CC(=C([O-])c1ccc2nncn2c1)c1nccc2ccccc21 ZINC000361528557 428574245 /nfs/dbraw/zinc/57/42/45/428574245.db2.gz AIWIZJZARUPEFS-OAHLLOKOSA-N -1 3 313.320 2.768 20 30 DFEDHM N#C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000408339397 428641772 /nfs/dbraw/zinc/64/17/72/428641772.db2.gz PNQCEMOGCRHUJG-WCBMZHEXSA-N -1 3 319.213 2.964 20 30 DFEDHM Cn1cc(C#N)cc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362191300 428655775 /nfs/dbraw/zinc/65/57/75/428655775.db2.gz QUQXNAJPAGMIEI-LLVKDONJSA-N -1 3 318.258 2.801 20 30 DFEDHM C[C@]([N-]S(=O)(=O)c1ccc(C#N)cc1)(C1CC1)C(F)(F)F ZINC000358797177 428680871 /nfs/dbraw/zinc/68/08/71/428680871.db2.gz GVHFUOCNHVUXMU-LBPRGKRZSA-N -1 3 318.320 2.568 20 30 DFEDHM CCNc1ccc(C#N)cc1NC(=O)c1cc([O-])ccc1OC ZINC000354088846 428856673 /nfs/dbraw/zinc/85/66/73/428856673.db2.gz VEPGZUSXHKGHIE-UHFFFAOYSA-N -1 3 311.341 2.957 20 30 DFEDHM COc1ccc(NC(=O)c2cc(C#N)cc(N(C)C)c2)c([O-])c1 ZINC000349210180 428939295 /nfs/dbraw/zinc/93/92/95/428939295.db2.gz SRZFLGOFEWDFDU-UHFFFAOYSA-N -1 3 311.341 2.591 20 30 DFEDHM Cn1cnc2cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)ccc21 ZINC000355155973 429029613 /nfs/dbraw/zinc/02/96/13/429029613.db2.gz YJCBOTJBZAPHHS-LBPRGKRZSA-N -1 3 315.336 2.940 20 30 DFEDHM N#CC(=C([O-])c1cccc(Br)c1)c1ccncn1 ZINC000354470541 428987664 /nfs/dbraw/zinc/98/76/64/428987664.db2.gz SKYGNCKCOITIED-LLVKDONJSA-N -1 3 302.131 2.729 20 30 DFEDHM CC1=NN(c2ccc(C([O-])=C(C#N)c3ccncn3)cc2)CC1 ZINC000354476671 428990474 /nfs/dbraw/zinc/99/04/74/428990474.db2.gz ZZBNVSDXSYGBDH-HNNXBMFYSA-N -1 3 305.341 2.553 20 30 DFEDHM N#Cc1cccc(C2(C(=O)NCc3ccc([O-])c(F)c3)CC2)c1 ZINC000435583369 429149483 /nfs/dbraw/zinc/14/94/83/429149483.db2.gz GMXKOFUJYRSGHD-UHFFFAOYSA-N -1 3 310.328 2.751 20 30 DFEDHM Cc1ccc2[n-]cc(C(=O)N[C@H]3CC[C@@H](CC#N)C3)c(=O)c2c1 ZINC000452553497 429127338 /nfs/dbraw/zinc/12/73/38/429127338.db2.gz APHPZBLMCHSBTR-STQMWFEESA-N -1 3 309.369 2.649 20 30 DFEDHM N#C[C@H]1CC[C@@H](NC(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000424966226 429213257 /nfs/dbraw/zinc/21/32/57/429213257.db2.gz LXNGNBKBJKHKFT-JOYOIKCWSA-N -1 3 323.190 2.506 20 30 DFEDHM C=CCn1c(SCc2ccc(C#N)cc2Cl)n[n-]c1=O ZINC000438884581 429214035 /nfs/dbraw/zinc/21/40/35/429214035.db2.gz RBVKOSFKJWCXEB-UHFFFAOYSA-N -1 3 306.778 2.987 20 30 DFEDHM C=CCCS(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1O ZINC000442835762 429239848 /nfs/dbraw/zinc/23/98/48/429239848.db2.gz FDECMEVRYIQCKM-UHFFFAOYSA-N -1 3 311.281 2.609 20 30 DFEDHM CCC1(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)CCCC1 ZINC000443483087 429251287 /nfs/dbraw/zinc/25/12/87/429251287.db2.gz AITLVCAJLHWGKF-UHFFFAOYSA-N -1 3 310.394 2.946 20 30 DFEDHM CC1(C)CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000443502084 429252580 /nfs/dbraw/zinc/25/25/80/429252580.db2.gz VFDRVIMTDSNXSV-AWEZNQCLSA-N -1 3 310.394 2.944 20 30 DFEDHM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443727078 429255733 /nfs/dbraw/zinc/25/57/33/429255733.db2.gz BEXTWZCDGULGHO-SNVBAGLBSA-N -1 3 300.811 2.925 20 30 DFEDHM CCCc1c(NC(=O)[N-]OCC)cnn1-c1cccc(C#N)c1 ZINC000364747714 429262231 /nfs/dbraw/zinc/26/22/31/429262231.db2.gz CBHLZJLEKFIHJH-UHFFFAOYSA-N -1 3 313.361 2.769 20 30 DFEDHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccccc1C#N ZINC000445700769 429289131 /nfs/dbraw/zinc/28/91/31/429289131.db2.gz XYZKHEMPWMGROL-NSHDSACASA-N -1 3 320.336 2.814 20 30 DFEDHM C=CC[C@H]1N(Cc2cc(=O)n3[n-]ccc3n2)CCCC1(C)C ZINC000444777991 429276230 /nfs/dbraw/zinc/27/62/30/429276230.db2.gz UVYWKSVAXDDQOS-CQSZACIVSA-N -1 3 300.406 2.589 20 30 DFEDHM C#CCN(CC)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000490575247 429293953 /nfs/dbraw/zinc/29/39/53/429293953.db2.gz PRLCMTAFWICSCI-UHFFFAOYSA-N -1 3 310.357 2.645 20 30 DFEDHM C=C(C)CON=C([O-])Nc1cccc(NC(=O)OCCOC)c1 ZINC000496100105 429306761 /nfs/dbraw/zinc/30/67/61/429306761.db2.gz DTCRAQLCMMIPMB-UHFFFAOYSA-N -1 3 323.349 2.511 20 30 DFEDHM C=C(C)CO[N-]C(=O)Nc1cccc(NC(=O)OCCOC)c1 ZINC000496100105 429306765 /nfs/dbraw/zinc/30/67/65/429306765.db2.gz DTCRAQLCMMIPMB-UHFFFAOYSA-N -1 3 323.349 2.511 20 30 DFEDHM COc1cc(C(=O)N2CCC(CCC#N)CC2)cc(OC)c1[O-] ZINC000517938709 429404742 /nfs/dbraw/zinc/40/47/42/429404742.db2.gz CEZCKDJJRZVRAU-UHFFFAOYSA-N -1 3 318.373 2.565 20 30 DFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cnc(C2CC2)nc1 ZINC000519085764 429446252 /nfs/dbraw/zinc/44/62/52/429446252.db2.gz QQDRMPWRSFEQNX-CYBMUJFWSA-N -1 3 317.352 2.731 20 30 DFEDHM COc1cccc([C@H](CC(=O)[O-])NCc2cccc(C#N)c2)c1 ZINC000426768909 429416252 /nfs/dbraw/zinc/41/62/52/429416252.db2.gz DHEPGTSCHIYCKN-KRWDZBQOSA-N -1 3 310.353 2.872 20 30 DFEDHM CCCC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000428242512 429503344 /nfs/dbraw/zinc/50/33/44/429503344.db2.gz GFHKZGRLTSIUFX-OLZOCXBDSA-N -1 3 307.419 2.590 20 30 DFEDHM COC(=O)c1cccc(NC(=O)/C=C\c2ccc(C#N)cc2)c1[O-] ZINC000492286899 429503493 /nfs/dbraw/zinc/50/34/93/429503493.db2.gz KCNYIVKAUMNHFU-KTKRTIGZSA-N -1 3 322.320 2.702 20 30 DFEDHM C[C@H](CC[N-]S(=O)(=O)c1cccnc1C#N)CC(C)(C)C ZINC000428377025 429516327 /nfs/dbraw/zinc/51/63/27/429516327.db2.gz GVMCFPRHSAGRRR-GFCCVEGCSA-N -1 3 309.435 2.694 20 30 DFEDHM C=CCC1(C(=O)NCc2nnc(C(F)(F)F)[n-]2)CCCC1 ZINC000450746994 429691263 /nfs/dbraw/zinc/69/12/63/429691263.db2.gz MDFKREIFPOPIGG-UHFFFAOYSA-N -1 3 302.300 2.576 20 30 DFEDHM C=CCC1(C(=O)NCc2n[n-]c(C(F)(F)F)n2)CCCC1 ZINC000450746994 429691266 /nfs/dbraw/zinc/69/12/66/429691266.db2.gz MDFKREIFPOPIGG-UHFFFAOYSA-N -1 3 302.300 2.576 20 30 DFEDHM C=CCC1(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CCCC1 ZINC000450746994 429691270 /nfs/dbraw/zinc/69/12/70/429691270.db2.gz MDFKREIFPOPIGG-UHFFFAOYSA-N -1 3 302.300 2.576 20 30 DFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H]2CCCC[C@H]21 ZINC000367765687 429713461 /nfs/dbraw/zinc/71/34/61/429713461.db2.gz PYNFOMWEKISUKN-CZUORRHYSA-N -1 3 313.401 2.609 20 30 DFEDHM CC#CCC[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000476504315 429717522 /nfs/dbraw/zinc/71/75/22/429717522.db2.gz BPZFYRANKZNHOC-UHFFFAOYSA-N -1 3 322.213 2.694 20 30 DFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(C3CC3)c2)cc1 ZINC000528921199 429935379 /nfs/dbraw/zinc/93/53/79/429935379.db2.gz SEMZTEYBZKKHFH-INIZCTEOSA-N -1 3 322.368 2.742 20 30 DFEDHM CC[C@](C)([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)C(F)(F)F ZINC000562577476 430150397 /nfs/dbraw/zinc/15/03/97/430150397.db2.gz FVAFFLSWTLPKFZ-LBPRGKRZSA-N -1 3 320.336 2.876 20 30 DFEDHM N#CC1CCC(CNC(=O)c2c[n-]nc2-c2ccccn2)CC1 ZINC000569655430 430474043 /nfs/dbraw/zinc/47/40/43/430474043.db2.gz PJPSCTRMBFVMKZ-UHFFFAOYSA-N -1 3 309.373 2.531 20 30 DFEDHM CCC(CC)c1nnc([N-]C(=O)c2ncc(C#N)cc2C)s1 ZINC000549536014 430527995 /nfs/dbraw/zinc/52/79/95/430527995.db2.gz NHJRJCQAPFAZNU-UHFFFAOYSA-N -1 3 315.402 3.269 20 30 DFEDHM Cc1cccc(C(=O)NCc2cc(F)c(C#N)c(F)c2)c1[O-] ZINC000549719088 430531298 /nfs/dbraw/zinc/53/12/98/430531298.db2.gz OJAHTTXDHDPSOH-UHFFFAOYSA-N -1 3 302.280 2.781 20 30 DFEDHM C[C@@H]1Cc2c(C#N)c([N-]C(=O)c3cnn(C)n3)sc2[C@@H](C)C1 ZINC000297850266 279010574 /nfs/dbraw/zinc/01/05/74/279010574.db2.gz NUABKMSZQLUPGC-IUCAKERBSA-N -1 3 315.402 2.686 20 30 DFEDHM C=CCCC1(C[N-]S(=O)(=O)c2cn(C)c(C)n2)CCCC1 ZINC000657064777 431589784 /nfs/dbraw/zinc/58/97/84/431589784.db2.gz RMIJNRMNUAQYIW-UHFFFAOYSA-N -1 3 311.451 2.533 20 30 DFEDHM N#Cc1ccccc1OCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153584912 289052205 /nfs/dbraw/zinc/05/22/05/289052205.db2.gz ADHGWBJDLKREAM-UHFFFAOYSA-N -1 3 302.717 2.935 20 30 DFEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c(F)c1 ZINC000135365364 295289259 /nfs/dbraw/zinc/28/92/59/295289259.db2.gz WHKTYADETZEZOW-UHFFFAOYSA-N -1 3 312.272 2.776 20 30 DFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCc2cccs2)c(F)c1 ZINC000536705168 301288813 /nfs/dbraw/zinc/28/88/13/301288813.db2.gz OFXPZZOTGFCVCD-UHFFFAOYSA-N -1 3 324.402 2.670 20 30 DFEDHM CSCCCCC[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000548150297 301569846 /nfs/dbraw/zinc/56/98/46/301569846.db2.gz VWVBMRXDENOQPQ-UHFFFAOYSA-N -1 3 316.423 2.509 20 30 DFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2=CCCCC2)c1 ZINC000379990685 323291983 /nfs/dbraw/zinc/29/19/83/323291983.db2.gz SXSWLBAHMZJWBW-UHFFFAOYSA-N -1 3 310.806 2.990 20 30 DFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CC3CCC2CC3)c(F)c1 ZINC000580611323 323410260 /nfs/dbraw/zinc/41/02/60/323410260.db2.gz GFRVHPHQNHXMHE-OVGLSYRBSA-N -1 3 308.378 2.554 20 30 DFEDHM CC1(C)CC(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000581982329 323596862 /nfs/dbraw/zinc/59/68/62/323596862.db2.gz AGEZKFRQOODHNS-UHFFFAOYSA-N -1 3 312.822 2.926 20 30 DFEDHM C=C[C@@](C)(CC)C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000188249274 331546137 /nfs/dbraw/zinc/54/61/37/331546137.db2.gz XGRKGLTXZXJMOH-AWEZNQCLSA-N -1 3 314.382 2.738 20 30 DFEDHM N#CCc1ccc(S(=O)(=O)[N-]C2(CF)CCC2)c(Cl)c1 ZINC000584229254 331871948 /nfs/dbraw/zinc/87/19/48/331871948.db2.gz NXACENASCMKTNZ-UHFFFAOYSA-N -1 3 316.785 2.577 20 30 DFEDHM C=CCc1cc(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc(OC)c1O ZINC000564655390 332130007 /nfs/dbraw/zinc/13/00/07/332130007.db2.gz KMFWEJKDHMZBGX-WFASDCNBSA-N -1 3 319.401 2.672 20 30 DFEDHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C)c1 ZINC000121789581 332399996 /nfs/dbraw/zinc/39/99/96/332399996.db2.gz ZYLDRHAKOSMFSJ-LBPRGKRZSA-N -1 3 316.810 2.565 20 30 DFEDHM O=C(/C=C/c1cnc(N2CCOCC2)s1)c1cccc([O-])c1 ZINC000171044986 333044647 /nfs/dbraw/zinc/04/46/47/333044647.db2.gz GGIVAEFYXQZJOV-SNAWJCMRSA-N -1 3 316.382 2.581 20 30 DFEDHM N#CC(=C([O-])c1cnn(CCC(F)(F)F)c1)c1ccccn1 ZINC000181484758 333169647 /nfs/dbraw/zinc/16/96/47/333169647.db2.gz SILKDHHURQCBHE-NSHDSACASA-N -1 3 308.263 2.721 20 30 DFEDHM CCCOc1ccc(/C=N/[C@H]2CCN(C(=O)OCC)C2)c([O-])c1 ZINC000184534038 333197897 /nfs/dbraw/zinc/19/78/97/333197897.db2.gz JGKVTBWLTVAYHX-BGARDKSCSA-N -1 3 320.389 2.831 20 30 DFEDHM CCN(C[C@@H](C)C#N)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000119005565 333342703 /nfs/dbraw/zinc/34/27/03/333342703.db2.gz GDQIEPLSIYVAPA-NSHDSACASA-N -1 3 302.374 2.727 20 30 DFEDHM C=CCC(F)(F)C(=O)[N-][C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000295460449 335134903 /nfs/dbraw/zinc/13/49/03/335134903.db2.gz VVKMVFICWSSHGN-ZDUSSCGKSA-N -1 3 321.327 2.989 20 30 DFEDHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1 ZINC000337845061 333461124 /nfs/dbraw/zinc/46/11/24/333461124.db2.gz HIQHBDMKXCPXDJ-UHFFFAOYSA-N -1 3 315.398 2.619 20 30 DFEDHM C=CCOc1ccccc1CNC(=O)c1cccc(OC)c1[O-] ZINC000110427365 333582044 /nfs/dbraw/zinc/58/20/44/333582044.db2.gz PQSVQEUYMCXDLF-UHFFFAOYSA-N -1 3 313.353 2.896 20 30 DFEDHM C=C1CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)CC1 ZINC000412048175 333723464 /nfs/dbraw/zinc/72/34/64/333723464.db2.gz UJIRDKVRSPMSSE-UHFFFAOYSA-N -1 3 302.761 2.974 20 30 DFEDHM Cc1ccc2c(c1C)OC[C@@H]2/N=C/c1c([O-])c(C)ncc1CO ZINC000264001434 333949764 /nfs/dbraw/zinc/94/97/64/333949764.db2.gz KWXZNWYOECYOPU-IMJKKVIQSA-N -1 3 312.369 2.757 20 30 DFEDHM C=CCCC[C@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000343535533 335170419 /nfs/dbraw/zinc/17/04/19/335170419.db2.gz SIISVQHRTBBKQV-LBPRGKRZSA-N -1 3 310.419 2.533 20 30 DFEDHM Cc1ccc(-c2cc(C(=O)Nc3cc(C)n(CCC#N)n3)n[n-]2)o1 ZINC000271161397 334019390 /nfs/dbraw/zinc/01/93/90/334019390.db2.gz WATMWKFDGFBQOU-UHFFFAOYSA-N -1 3 324.344 2.649 20 30 DFEDHM Cc1ccc(-c2cc(C(=O)Nc3cc(C)n(CCC#N)n3)[n-]n2)o1 ZINC000271161397 334019391 /nfs/dbraw/zinc/01/93/91/334019391.db2.gz WATMWKFDGFBQOU-UHFFFAOYSA-N -1 3 324.344 2.649 20 30 DFEDHM Cc1ccc(C(=O)N(CCC#N)Cc2ccccn2)c([O-])c1C ZINC000271303137 334020950 /nfs/dbraw/zinc/02/09/50/334020950.db2.gz RERSOYHTQHGGDX-UHFFFAOYSA-N -1 3 309.369 2.960 20 30 DFEDHM CC1CCC2(CC1)OC[C@@H](C/N=C/c1ccc(O)c([O-])c1O)O2 ZINC000271921593 334028761 /nfs/dbraw/zinc/02/87/61/334028761.db2.gz IEGACPVJZQBICS-SKYJPVEESA-N -1 3 321.373 2.544 20 30 DFEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000272530919 334036684 /nfs/dbraw/zinc/03/66/84/334036684.db2.gz ZNCOVMGPORGMNR-ZDUSSCGKSA-N -1 3 302.346 2.571 20 30 DFEDHM Cc1cc(S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C)sc1Cl ZINC000276714533 334084827 /nfs/dbraw/zinc/08/48/27/334084827.db2.gz YURDWTMXESEQRD-QMMMGPOBSA-N -1 3 306.840 2.927 20 30 DFEDHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](C#N)CC)c1 ZINC000280356047 334116906 /nfs/dbraw/zinc/11/69/06/334116906.db2.gz SSSKQKLSBKFJTL-JTQLQIEISA-N -1 3 314.794 2.513 20 30 DFEDHM [O-]c1ccccc1/C=N/Cc1ccncc1OC[C@H]1CCOC1 ZINC000287193471 334156591 /nfs/dbraw/zinc/15/65/91/334156591.db2.gz LEUFBPLIKUKGRK-IEEVUCOHSA-N -1 3 312.369 2.822 20 30 DFEDHM O=S1(=O)CCC[C@H](C/N=C/c2c([O-])ccc3ccccc32)C1 ZINC000287313172 334157087 /nfs/dbraw/zinc/15/70/87/334157087.db2.gz UQIRLNGFCLAVDH-VBEHJTROSA-N -1 3 317.410 2.789 20 30 DFEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000290945980 334175250 /nfs/dbraw/zinc/17/52/50/334175250.db2.gz MCJRUCOLMUBNFY-ZDUSSCGKSA-N -1 3 316.785 2.591 20 30 DFEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC000290952782 334175412 /nfs/dbraw/zinc/17/54/12/334175412.db2.gz NCVPXROVEDOFHN-HSBSLETESA-N -1 3 310.806 2.922 20 30 DFEDHM COc1cc(/N=C/c2c([O-])c(C)ncc2CO)cc(OC)c1C ZINC000292299459 334186433 /nfs/dbraw/zinc/18/64/33/334186433.db2.gz KFLJBUDYDUEKKG-UFWORHAWSA-N -1 3 316.357 2.664 20 30 DFEDHM Cc1ncc(CO)c(/C=N/CCc2ccccc2Cl)c1[O-] ZINC000299308786 334254551 /nfs/dbraw/zinc/25/45/51/334254551.db2.gz UHQAHYWOORZRQK-GIJQJNRQSA-N -1 3 304.777 2.903 20 30 DFEDHM C[C@@H]([N-]S(=O)(=O)[C@@H](C)C#N)c1nc(-c2ccccc2)cs1 ZINC000416382474 334664203 /nfs/dbraw/zinc/66/42/03/334664203.db2.gz FLGLWEVXUZMFTE-WDEREUQCSA-N -1 3 321.427 2.703 20 30 DFEDHM C[C@H](C#N)S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000416458109 334668083 /nfs/dbraw/zinc/66/80/83/334668083.db2.gz YRCHZWMVVOFEQJ-KCJUWKMLSA-N -1 3 324.299 2.651 20 30 DFEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000416529667 334668953 /nfs/dbraw/zinc/66/89/53/334668953.db2.gz KHKUZJZHECDVMH-UHFFFAOYSA-N -1 3 304.774 2.697 20 30 DFEDHM CCOc1ccc([N-]S(=O)(=O)[C@H](C#N)CC)cc1Cl ZINC000416939237 334686192 /nfs/dbraw/zinc/68/61/92/334686192.db2.gz MRNLHSYDIPMOCF-JTQLQIEISA-N -1 3 302.783 2.783 20 30 DFEDHM CC(C)(C)n1cnc([N-]C(=O)c2ncccc2Br)n1 ZINC000331065857 334832629 /nfs/dbraw/zinc/83/26/29/334832629.db2.gz PSKJXJVSXWKBDA-UHFFFAOYSA-N -1 3 324.182 2.827 20 30 DFEDHM C=C(C[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000344905025 335284409 /nfs/dbraw/zinc/28/44/09/335284409.db2.gz HLGMRLNIUTYINE-UHFFFAOYSA-N -1 3 309.337 2.957 20 30 DFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc(C(N)=O)s3)nc21 ZINC000345391677 335322556 /nfs/dbraw/zinc/32/25/56/335322556.db2.gz GLKGEBVFTDCXBE-SECBINFHSA-N -1 3 324.365 2.522 20 30 DFEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000345592337 335339300 /nfs/dbraw/zinc/33/93/00/335339300.db2.gz SRFZMYNEKAFIMN-LBPRGKRZSA-N -1 3 320.336 2.673 20 30 DFEDHM N#C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(F)cc1 ZINC000349585446 335682642 /nfs/dbraw/zinc/68/26/42/335682642.db2.gz NEQIKPVASMZIEI-INIZCTEOSA-N -1 3 321.311 2.662 20 30 DFEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000351183959 336019914 /nfs/dbraw/zinc/01/99/14/336019914.db2.gz XGEFETLYZBXNQT-SNVBAGLBSA-N -1 3 324.880 2.715 20 30 DFEDHM Cc1nc(C)c(CCC(=O)N[C@@H]2CCOC3(CCC3)C2)c(=O)[n-]1 ZINC000330199486 336123492 /nfs/dbraw/zinc/12/34/92/336123492.db2.gz VMVCCAXQBWREOG-CYBMUJFWSA-N -1 3 319.405 2.790 20 30 DFEDHM Cc1onc(-c2cccnc2)c1C([O-])=C(C#N)c1ccccn1 ZINC000353519599 336422132 /nfs/dbraw/zinc/42/21/32/336422132.db2.gz MXAFCRGTKGKHNQ-CYBMUJFWSA-N -1 3 304.309 2.930 20 30 DFEDHM N#CC1(NC(=O)Cc2ccc(Br)cc2[O-])CCCC1 ZINC000357597714 336591857 /nfs/dbraw/zinc/59/18/57/336591857.db2.gz JVJLDIIASFIDEM-UHFFFAOYSA-N -1 3 323.190 2.650 20 30 DFEDHM Cc1nn(CC(F)(F)F)cc1C([O-])=C(C#N)c1ccccn1 ZINC000357811623 336599792 /nfs/dbraw/zinc/59/97/92/336599792.db2.gz WAYVQIXUFFGTBG-SNVBAGLBSA-N -1 3 308.263 2.639 20 30 DFEDHM COc1cncc(C(=O)[N-]c2ccccc2SCCC#N)n1 ZINC000359560114 336677934 /nfs/dbraw/zinc/67/79/34/336677934.db2.gz RGGWEKYBEMHWGL-UHFFFAOYSA-N -1 3 314.370 2.743 20 30 DFEDHM C=CCCC[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000303990783 336981158 /nfs/dbraw/zinc/98/11/58/336981158.db2.gz VASWLYVPTTUTEY-UHFFFAOYSA-N -1 3 322.199 2.833 20 30 DFEDHM C=CCC[C@H](O)CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000305073173 337012289 /nfs/dbraw/zinc/01/22/89/337012289.db2.gz KCWOEXAZTCOFLI-KRWDZBQOSA-N -1 3 303.402 2.614 20 30 DFEDHM C=CCC1(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000582646462 337120271 /nfs/dbraw/zinc/12/02/71/337120271.db2.gz IKQHPQRKLJIRRP-UHFFFAOYSA-N -1 3 311.389 2.619 20 30 DFEDHM C=CCC1(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000582646462 337120272 /nfs/dbraw/zinc/12/02/72/337120272.db2.gz IKQHPQRKLJIRRP-UHFFFAOYSA-N -1 3 311.389 2.619 20 30 DFEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000186583451 337257719 /nfs/dbraw/zinc/25/77/19/337257719.db2.gz FZYXGMFKAYRLBB-DOMZBBRYSA-N -1 3 310.394 2.718 20 30 DFEDHM N#CC(=C([O-])c1cc(=O)[nH]c(C2CC2)c1)c1nc2ccccc2[nH]1 ZINC000187467972 337266185 /nfs/dbraw/zinc/26/61/85/337266185.db2.gz UAIZQQIXTIRILD-GFCCVEGCSA-N -1 3 318.336 2.619 20 30 DFEDHM CC(=O)c1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)n(C)c1 ZINC000190923678 337291377 /nfs/dbraw/zinc/29/13/77/337291377.db2.gz NPEBAGQLYYMKEY-CYBMUJFWSA-N -1 3 318.336 2.661 20 30 DFEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000425192165 337437150 /nfs/dbraw/zinc/43/71/50/337437150.db2.gz ZGZVFNABPUBLDT-DTWKUNHWSA-N -1 3 319.213 2.964 20 30 DFEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420665849 337510034 /nfs/dbraw/zinc/51/00/34/337510034.db2.gz NYCQIZQKWDFTAA-ZETCQYMHSA-N -1 3 324.736 2.522 20 30 DFEDHM C=C(C)COCCNCc1cccc([O-])c1Br ZINC000315370944 337985766 /nfs/dbraw/zinc/98/57/66/337985766.db2.gz BTXFQUUTLKGJGQ-UHFFFAOYSA-N -1 3 300.196 2.837 20 30 DFEDHM COC(=O)Cc1n[n-]c(NC(=O)CC=Cc2ccc(C)cc2)n1 ZINC000084766082 338004881 /nfs/dbraw/zinc/00/48/81/338004881.db2.gz LTAIEEWJRIOETG-ONEGZZNKSA-N -1 3 314.345 2.520 20 30 DFEDHM COC(=O)Cc1nnc(NC(=O)CC=Cc2ccc(C)cc2)[n-]1 ZINC000084766082 338004882 /nfs/dbraw/zinc/00/48/82/338004882.db2.gz LTAIEEWJRIOETG-ONEGZZNKSA-N -1 3 314.345 2.520 20 30 DFEDHM COC(=O)Cc1nc(NC(=O)CC=Cc2ccc(C)cc2)n[n-]1 ZINC000084766082 338004883 /nfs/dbraw/zinc/00/48/83/338004883.db2.gz LTAIEEWJRIOETG-ONEGZZNKSA-N -1 3 314.345 2.520 20 30 DFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(CC#N)c3)nc1-2 ZINC000429592659 338085613 /nfs/dbraw/zinc/08/56/13/338085613.db2.gz UEAAOYIUKMZBDY-AWEZNQCLSA-N -1 3 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DFEDHM N#Cc1cc(-c2ccc(CCN3CCOCC3)cc2)ccc1[O-] ZINC000596634599 398466655 /nfs/dbraw/zinc/46/66/55/398466655.db2.gz LVVCMJKZULPOSL-UHFFFAOYSA-N -1 3 308.381 2.806 20 30 DFEDHM COc1ccc(C)cc1[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000286761019 219152163 /nfs/dbraw/zinc/15/21/63/219152163.db2.gz VRQAYASWYXEPPF-LLVKDONJSA-N -1 3 320.370 2.508 20 30 DFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000588942659 398518660 /nfs/dbraw/zinc/51/86/60/398518660.db2.gz BWEUMJHZBCUKTD-ZDUSSCGKSA-N -1 3 300.811 2.698 20 30 DFEDHM N#Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])n1 ZINC000589341801 398547089 /nfs/dbraw/zinc/54/70/89/398547089.db2.gz VZYVTYWLTIQBDS-UHFFFAOYSA-N -1 3 307.231 2.930 20 30 DFEDHM N#Cc1cccc(C(=O)Nc2cc(Br)ccc2[O-])n1 ZINC000589442846 398552534 /nfs/dbraw/zinc/55/25/34/398552534.db2.gz WGJZDZCPECDQCI-UHFFFAOYSA-N -1 3 318.130 2.674 20 30 DFEDHM COc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1ccccn1 ZINC000041493227 398569166 /nfs/dbraw/zinc/56/91/66/398569166.db2.gz IZTBDNAFYFTVOF-CQSZACIVSA-N 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/nfs/dbraw/zinc/66/76/64/398667664.db2.gz ZEYGQTAOUQQPHO-UHFFFAOYSA-N -1 3 310.806 2.823 20 30 DFEDHM CC[C@@H](C)C[C@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000080681282 192180673 /nfs/dbraw/zinc/18/06/73/192180673.db2.gz XWTPXBAAOQZTOC-NEPJUHHUSA-N -1 3 317.433 2.737 20 30 DFEDHM N#CCC[C@H](C#N)CNCc1ccc([O-])c(Br)c1 ZINC000591756580 398784048 /nfs/dbraw/zinc/78/40/48/398784048.db2.gz GXSNAWUQUKABRU-LLVKDONJSA-N -1 3 308.179 2.688 20 30 DFEDHM N#CC1(CNC(=O)c2c[n-]c3ccccc3c2=O)CCCCC1 ZINC000598302944 398787965 /nfs/dbraw/zinc/78/79/65/398787965.db2.gz RJVSLNYNNBTROA-UHFFFAOYSA-N -1 3 309.369 2.732 20 30 DFEDHM C=CCCS(=O)(=O)[N-]c1cc(Cl)c(F)c(C(=O)OC)c1 ZINC000276777590 213101907 /nfs/dbraw/zinc/10/19/07/213101907.db2.gz BQGACNCJEXXKHY-UHFFFAOYSA-N -1 3 321.757 2.584 20 30 DFEDHM N#CC(=C([O-])c1ccc2c(c1)COC2)c1nnc2n1CCCCC2 ZINC000050206436 398806226 /nfs/dbraw/zinc/80/62/26/398806226.db2.gz MZTRKWPPOJCYEJ-OAHLLOKOSA-N -1 3 322.368 2.525 20 30 DFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000075699406 398818417 /nfs/dbraw/zinc/81/84/17/398818417.db2.gz MXOUSFHJDMEIDT-SNVBAGLBSA-N -1 3 323.312 2.992 20 30 DFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000075699406 398818421 /nfs/dbraw/zinc/81/84/21/398818421.db2.gz MXOUSFHJDMEIDT-SNVBAGLBSA-N -1 3 323.312 2.992 20 30 DFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000075699406 398818424 /nfs/dbraw/zinc/81/84/24/398818424.db2.gz MXOUSFHJDMEIDT-SNVBAGLBSA-N -1 3 323.312 2.992 20 30 DFEDHM CO[C@H](CS(=O)(=O)[N-]c1ccc(C#N)cc1)C1CCCC1 ZINC000594694720 398843940 /nfs/dbraw/zinc/84/39/40/398843940.db2.gz CKJKMOVIIWPOGG-OAHLLOKOSA-N -1 3 308.403 2.505 20 30 DFEDHM N#C[C@@H]([N-]S(=O)(=O)CCc1ccc(F)cc1)C1CCCCC1 ZINC000594719358 398848232 /nfs/dbraw/zinc/84/82/32/398848232.db2.gz BLSWUAWWDUDTRI-MRXNPFEDSA-N -1 3 324.421 2.760 20 30 DFEDHM N#C[C@H]([N-]S(=O)(=O)CCc1ccccc1F)C1CCCCC1 ZINC000594722131 398849062 /nfs/dbraw/zinc/84/90/62/398849062.db2.gz ZOXHJGYCCFEXHS-INIZCTEOSA-N -1 3 324.421 2.760 20 30 DFEDHM N#CC1([N-]S(=O)(=O)CCc2ccccc2F)CCCCC1 ZINC000594720236 398849083 /nfs/dbraw/zinc/84/90/83/398849083.db2.gz INOWGNKPSGYZRN-UHFFFAOYSA-N -1 3 310.394 2.514 20 30 DFEDHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)c2cccc(C#N)c2)o1 ZINC000594812915 398859275 /nfs/dbraw/zinc/85/92/75/398859275.db2.gz IEELXOQMCNIUKK-UHFFFAOYSA-N -1 3 304.371 2.673 20 30 DFEDHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C#N)cc1F ZINC000594835330 398862329 /nfs/dbraw/zinc/86/23/29/398862329.db2.gz OOENIMNCXRYQNM-ZWNOBZJWSA-N -1 3 314.357 2.634 20 30 DFEDHM C=CCC1([N-]S(=O)(=O)c2ccc(C#N)cc2F)CCCC1 ZINC000594865388 398863798 /nfs/dbraw/zinc/86/37/98/398863798.db2.gz RQZWGFJNULVREA-UHFFFAOYSA-N -1 3 308.378 2.865 20 30 DFEDHM N#C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000594834234 398861476 /nfs/dbraw/zinc/86/14/76/398861476.db2.gz SIUBIIFUUWKHPQ-CABZTGNLSA-N -1 3 316.785 2.840 20 30 DFEDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C#N)c(F)cc1F ZINC000594834352 398861611 /nfs/dbraw/zinc/86/16/11/398861611.db2.gz IUNLRHOJNKMSOZ-GWCFXTLKSA-N -1 3 314.357 2.634 20 30 DFEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)nnn1-c1cccc(C)c1 ZINC000054452463 398900224 /nfs/dbraw/zinc/90/02/24/398900224.db2.gz ZGUDYRCHEOGOOY-OAHLLOKOSA-N -1 3 317.352 2.769 20 30 DFEDHM COCCN(Cc1ccc(C#N)cc1)C(=O)c1c(C)cccc1[O-] ZINC000599036894 398910753 /nfs/dbraw/zinc/91/07/53/398910753.db2.gz YQWOQHHJTBQRGM-UHFFFAOYSA-N -1 3 324.380 2.861 20 30 DFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCc3occc32)c(F)c1 ZINC000151049446 398923376 /nfs/dbraw/zinc/92/33/76/398923376.db2.gz UOGXZRCAGBIOIV-CYBMUJFWSA-N -1 3 320.345 2.646 20 30 DFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCc2ccccc2)c(F)c1 ZINC000151001814 398923464 /nfs/dbraw/zinc/92/34/64/398923464.db2.gz DUHVWECKAVIOHM-UHFFFAOYSA-N -1 3 318.373 2.608 20 30 DFEDHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cccc(F)c2C#N)n1 ZINC000595524961 398956929 /nfs/dbraw/zinc/95/69/29/398956929.db2.gz BURJDBABTWWDNV-UHFFFAOYSA-N -1 3 300.337 2.526 20 30 DFEDHM CSCCON=C([O-])Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000281554513 216380225 /nfs/dbraw/zinc/38/02/25/216380225.db2.gz XUEPAWHDJJQDGG-UHFFFAOYSA-N -1 3 319.308 2.993 20 30 DFEDHM CSCCO[N-]C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000281554513 216380227 /nfs/dbraw/zinc/38/02/27/216380227.db2.gz XUEPAWHDJJQDGG-UHFFFAOYSA-N -1 3 319.308 2.993 20 30 DFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3n[nH]c4c3CCCC4)nc21 ZINC000605363544 399013129 /nfs/dbraw/zinc/01/31/29/399013129.db2.gz IMYIJIKTEKSUCY-LBPRGKRZSA-N -1 3 319.368 2.963 20 30 DFEDHM C=C[C@](C)(CCOC)c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000275405826 212313504 /nfs/dbraw/zinc/31/35/04/212313504.db2.gz FLYYVOWIZHZSAL-MRXNPFEDSA-N -1 3 304.346 2.931 20 30 DFEDHM N#Cc1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)c(F)c1 ZINC000172584372 399084510 /nfs/dbraw/zinc/08/45/10/399084510.db2.gz KMRRYUJVFUDFKO-UHFFFAOYSA-N -1 3 317.295 2.541 20 30 DFEDHM CCCOc1ccc([N-]S(=O)(=O)[C@@H](C#N)CC)cc1OC ZINC000600664698 399111111 /nfs/dbraw/zinc/11/11/11/399111111.db2.gz FZYGKQGQNPOFJT-GFCCVEGCSA-N 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CC[C@@H](CSC)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000166470900 271096968 /nfs/dbraw/zinc/09/69/68/271096968.db2.gz DUONZAYTDJCGFQ-JTQLQIEISA-N -1 3 318.851 2.632 20 30 DFEDHM N#Cc1ccc(N2CCc3nc[n-]c(=O)c3C2)cc1C(F)(F)F ZINC000269727500 427262993 /nfs/dbraw/zinc/26/29/93/427262993.db2.gz UQZYFJLTBYUNRP-UHFFFAOYSA-N -1 3 320.274 2.635 20 30 DFEDHM N#Cc1cc(C(=O)Nc2cccc([O-])c2)cnc1C(F)(F)F ZINC000338453422 427329762 /nfs/dbraw/zinc/32/97/62/427329762.db2.gz AOFPVHXCAWMHAQ-UHFFFAOYSA-N -1 3 307.231 2.930 20 30 DFEDHM CC(C)[C@@H]1CCCCN1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000331138646 427353664 /nfs/dbraw/zinc/35/36/64/427353664.db2.gz DOEFKZYJBHAMFN-VIFPVBQESA-N -1 3 319.331 2.748 20 30 DFEDHM CC(C)[C@@H]1CCCCN1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000331138646 427353672 /nfs/dbraw/zinc/35/36/72/427353672.db2.gz DOEFKZYJBHAMFN-VIFPVBQESA-N -1 3 319.331 2.748 20 30 DFEDHM CC(C)[C@@H]1CCCCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000331138646 427353677 /nfs/dbraw/zinc/35/36/77/427353677.db2.gz 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C[C@@H](C#N)C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000080628964 341274242 /nfs/dbraw/zinc/27/42/42/341274242.db2.gz QNJRYVDWDCEZDJ-QMMMGPOBSA-N -1 3 307.202 2.572 20 30 DFEDHM CCC(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000189996311 521288588 /nfs/dbraw/zinc/28/85/88/521288588.db2.gz RAPUVATVOFLBNL-UHFFFAOYSA-N -1 3 300.811 2.926 20 30 DFEDHM CCC(CC)CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000355228969 535022089 /nfs/dbraw/zinc/02/20/89/535022089.db2.gz XLBWLPYWPFNQSK-UHFFFAOYSA-N -1 3 303.406 2.761 20 30 DFEDHM C=CCCCCCN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735408899 598856491 /nfs/dbraw/zinc/85/64/91/598856491.db2.gz USBWRGARYHBVMU-UHFFFAOYSA-N -1 3 316.365 2.958 20 30 DFEDHM C=CCCCCCN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735408899 598856493 /nfs/dbraw/zinc/85/64/93/598856493.db2.gz USBWRGARYHBVMU-UHFFFAOYSA-N -1 3 316.365 2.958 20 30 DFEDHM C=CCCCCCN(C)c1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000735407996 598856738 /nfs/dbraw/zinc/85/67/38/598856738.db2.gz DCDWUSXTCZYPOZ-UHFFFAOYSA-N -1 3 312.421 2.933 20 30 DFEDHM C=CCCCCCN(C)c1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000735407996 598856739 /nfs/dbraw/zinc/85/67/39/598856739.db2.gz DCDWUSXTCZYPOZ-UHFFFAOYSA-N -1 3 312.421 2.933 20 30 DFEDHM CC(Cc1cccc(F)c1)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000820300271 607253513 /nfs/dbraw/zinc/25/35/13/607253513.db2.gz NXAWEMZIBMRKPV-UHFFFAOYSA-N -1 3 324.363 2.714 20 30 DFEDHM CC(Cc1cccc(F)c1)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000820300271 607253514 /nfs/dbraw/zinc/25/35/14/607253514.db2.gz NXAWEMZIBMRKPV-UHFFFAOYSA-N -1 3 324.363 2.714 20 30 DFEDHM Cc1cc(C)c(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000822194457 607253869 /nfs/dbraw/zinc/25/38/69/607253869.db2.gz XZSNNCHGJBDOLE-UHFFFAOYSA-N -1 3 320.400 2.916 20 30 DFEDHM Cc1cc(C)c(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822194457 607253870 /nfs/dbraw/zinc/25/38/70/607253870.db2.gz XZSNNCHGJBDOLE-UHFFFAOYSA-N -1 3 320.400 2.916 20 30 DFEDHM COc1ccc(C=NNc2cc(C)cc(C)c2)cc1-c1nnn[n-]1 ZINC000737081201 599125772 /nfs/dbraw/zinc/12/57/72/599125772.db2.gz 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Cc1ccc2c(c1)C(=O)C(=Cc1cccc(-c3nn[n-]n3)c1)C2 ZINC000737371277 598492487 /nfs/dbraw/zinc/49/24/87/598492487.db2.gz AODOFQPCZLEMDB-OQLLNIDSSA-N -1 3 302.337 2.998 20 30 DFEDHM C#Cc1cccc(N(CC)C(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735390645 598659923 /nfs/dbraw/zinc/65/99/23/598659923.db2.gz AMWFVDKYAIGMRR-UHFFFAOYSA-N -1 3 317.352 2.515 20 30 DFEDHM C#Cc1cccc(N(CC)C(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735390645 598659925 /nfs/dbraw/zinc/65/99/25/598659925.db2.gz AMWFVDKYAIGMRR-UHFFFAOYSA-N -1 3 317.352 2.515 20 30 DFEDHM C[C@H](C#N)Oc1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735505802 598717411 /nfs/dbraw/zinc/71/74/11/598717411.db2.gz TUBUFYZJGYKOFF-RDNKVPPGSA-N -1 3 318.340 2.723 20 30 DFEDHM C[C@H](C#N)Oc1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735505802 598717412 /nfs/dbraw/zinc/71/74/12/598717412.db2.gz TUBUFYZJGYKOFF-RDNKVPPGSA-N -1 3 318.340 2.723 20 30 DFEDHM C[C@@H](C#N)Oc1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735505801 598717432 /nfs/dbraw/zinc/71/74/32/598717432.db2.gz TUBUFYZJGYKOFF-QSLRECBCSA-N -1 3 318.340 2.723 20 30 DFEDHM C[C@@H](C#N)Oc1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735505801 598717435 /nfs/dbraw/zinc/71/74/35/598717435.db2.gz TUBUFYZJGYKOFF-QSLRECBCSA-N -1 3 318.340 2.723 20 30 DFEDHM C=CCCOC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735413124 598733147 /nfs/dbraw/zinc/73/31/47/598733147.db2.gz OPZYVOQNTZAMOX-UHFFFAOYSA-N -1 3 316.361 2.535 20 30 DFEDHM C=CCCOC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735413124 598733148 /nfs/dbraw/zinc/73/31/48/598733148.db2.gz OPZYVOQNTZAMOX-UHFFFAOYSA-N -1 3 316.361 2.535 20 30 DFEDHM COc1ccc(C#N)cc1CNc1cccc(-c2nnn[n-]2)c1C ZINC000821769926 607373653 /nfs/dbraw/zinc/37/36/53/607373653.db2.gz MIOANPNYUQGCHU-UHFFFAOYSA-N -1 3 320.356 2.668 20 30 DFEDHM COc1ccc(C#N)cc1CNc1cccc(-c2nn[n-]n2)c1C ZINC000821769926 607373655 /nfs/dbraw/zinc/37/36/55/607373655.db2.gz MIOANPNYUQGCHU-UHFFFAOYSA-N -1 3 320.356 2.668 20 30 DFEDHM C=CCCCN(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819739583 599472350 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CCn1ncc2c1CCC[C@H]2N[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737312945 601102431 /nfs/dbraw/zinc/10/24/31/601102431.db2.gz WQZUJKAXOCRUDP-WBVHZDCISA-N -1 3 324.384 2.568 20 30 DFEDHM N#CC(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1nc2ccccc2[nH]1 ZINC000833063313 601235835 /nfs/dbraw/zinc/23/58/35/601235835.db2.gz HXZBVGSTKRSRKX-GRYCIOLGSA-N -1 3 311.341 2.630 20 30 DFEDHM CCn1ncc2c1CCC[C@@H]2N[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830450922 601306776 /nfs/dbraw/zinc/30/67/76/601306776.db2.gz HRELOKJYQXFMPX-RDJZCZTQSA-N -1 3 324.384 2.568 20 30 DFEDHM CCN(CC)c1ccc(/C=[NH+]/[C@H](CC(=O)[O-])C2CC2)c([O-])c1 ZINC000829684294 601497723 /nfs/dbraw/zinc/49/77/23/601497723.db2.gz VRQRGCMWMVBSIH-CLXYIWAZSA-N -1 3 304.390 2.911 20 30 DFEDHM N#Cc1ccccc1OCCN1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000833077047 601545970 /nfs/dbraw/zinc/54/59/70/601545970.db2.gz WPNVGABCGBTVMU-SFHVURJKSA-N -1 3 322.364 2.621 20 30 DFEDHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(C)c1 ZINC000832341822 602178189 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ZINC000826381560 607679201 /nfs/dbraw/zinc/67/92/01/607679201.db2.gz QDOKSCCEGXACFU-CQSZACIVSA-N -1 3 305.345 2.719 20 30 DFEDHM N#CCC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000826381560 607679202 /nfs/dbraw/zinc/67/92/02/607679202.db2.gz QDOKSCCEGXACFU-CQSZACIVSA-N -1 3 305.345 2.719 20 30 DFEDHM O=C1c2cc(F)cc(F)c2CC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826475817 607682124 /nfs/dbraw/zinc/68/21/24/607682124.db2.gz RRKDXNZLRMKCCX-VZUCSPMQSA-N -1 3 324.290 2.967 20 30 DFEDHM O=C1c2cc(F)cc(F)c2CC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826475817 607682126 /nfs/dbraw/zinc/68/21/26/607682126.db2.gz RRKDXNZLRMKCCX-VZUCSPMQSA-N -1 3 324.290 2.967 20 30 DFEDHM N#Cc1cccc([C@@H](NCc2ccc3c(c2)COC3)C(=O)[O-])c1 ZINC000833075924 604401313 /nfs/dbraw/zinc/40/13/13/604401313.db2.gz OINZLWMDFMCTJC-QGZVFWFLSA-N -1 3 308.337 2.504 20 30 DFEDHM COc1ccc2c(c1)CN([C@@H](C(=O)[O-])c1ccc(C#N)cc1)CC2 ZINC000832493877 604968581 /nfs/dbraw/zinc/96/85/81/604968581.db2.gz XTXAMPNYSCZNJR-GOSISDBHSA-N -1 3 322.364 2.751 20 30 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/nfs/dbraw/zinc/77/92/88/606779288.db2.gz HFUJXXKMBPSMOO-UHFFFAOYSA-N -1 3 311.732 2.971 20 30 DFEDHM N#Cc1ccc(Cl)cc1OCc1ccccc1-c1nn[n-]n1 ZINC000822825479 606779290 /nfs/dbraw/zinc/77/92/90/606779290.db2.gz HFUJXXKMBPSMOO-UHFFFAOYSA-N -1 3 311.732 2.971 20 30 DFEDHM N#Cc1cc(CNc2ccc(F)c(-c3nnn[n-]3)c2)ccc1F ZINC000822819476 606930081 /nfs/dbraw/zinc/93/00/81/606930081.db2.gz SYOFUFBWSNXHOH-UHFFFAOYSA-N -1 3 312.283 2.629 20 30 DFEDHM N#Cc1cc(CNc2ccc(F)c(-c3nn[n-]n3)c2)ccc1F ZINC000822819476 606930083 /nfs/dbraw/zinc/93/00/83/606930083.db2.gz SYOFUFBWSNXHOH-UHFFFAOYSA-N -1 3 312.283 2.629 20 30 DFEDHM CC(=NNCc1cccc(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000819772679 606990157 /nfs/dbraw/zinc/99/01/57/606990157.db2.gz JDNSWLBXVCKZRW-UHFFFAOYSA-N -1 3 306.373 2.689 20 30 DFEDHM CC(=NNCc1cccc(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000819772679 606990158 /nfs/dbraw/zinc/99/01/58/606990158.db2.gz JDNSWLBXVCKZRW-UHFFFAOYSA-N -1 3 306.373 2.689 20 30 DFEDHM COc1cccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826213583 607883441 /nfs/dbraw/zinc/88/34/41/607883441.db2.gz CPCVQISMHXUISB-MDZDMXLPSA-N -1 3 306.325 2.771 20 30 DFEDHM COc1cccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826213583 607883442 /nfs/dbraw/zinc/88/34/42/607883442.db2.gz CPCVQISMHXUISB-MDZDMXLPSA-N -1 3 306.325 2.771 20 30 DFEDHM CC(C)n1cc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cn1 ZINC000824371451 607884653 /nfs/dbraw/zinc/88/46/53/607884653.db2.gz GNWWWPMHGJHXKS-BQYQJAHWSA-N -1 3 308.345 2.540 20 30 DFEDHM CC(C)n1cc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cn1 ZINC000824371451 607884654 /nfs/dbraw/zinc/88/46/54/607884654.db2.gz GNWWWPMHGJHXKS-BQYQJAHWSA-N -1 3 308.345 2.540 20 30 DFEDHM N#Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000826383709 607916075 /nfs/dbraw/zinc/91/60/75/607916075.db2.gz MQEJPUCNNVKDTC-WAPJZHGLSA-N -1 3 319.299 2.774 20 30 DFEDHM N#Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000826383709 607916076 /nfs/dbraw/zinc/91/60/76/607916076.db2.gz MQEJPUCNNVKDTC-WAPJZHGLSA-N -1 3 319.299 2.774 20 30 DFEDHM O=C1c2cccc(O)c2CC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475841 607916461 /nfs/dbraw/zinc/91/64/61/607916461.db2.gz SNUIOWVXKUMQTP-UXBLZVDNSA-N -1 3 322.299 2.534 20 30 DFEDHM O=C1c2cccc(O)c2CC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475841 607916462 /nfs/dbraw/zinc/91/64/62/607916462.db2.gz SNUIOWVXKUMQTP-UXBLZVDNSA-N -1 3 322.299 2.534 20 30 DFEDHM CC(=NNc1ccccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823962159 608094760 /nfs/dbraw/zinc/09/47/60/608094760.db2.gz GOUOADUVVKITJJ-UHFFFAOYSA-N -1 3 302.338 2.903 20 30 DFEDHM CCC[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)C(C)C ZINC000825224659 608157929 /nfs/dbraw/zinc/15/79/29/608157929.db2.gz AQAWYVWLBRIAEM-ZDUSSCGKSA-N -1 3 312.377 2.749 20 30 DFEDHM CCC[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)C(C)C ZINC000825224659 608157931 /nfs/dbraw/zinc/15/79/31/608157931.db2.gz AQAWYVWLBRIAEM-ZDUSSCGKSA-N -1 3 312.377 2.749 20 30 DFEDHM COc1cc(-c2nnn[n-]2)ccc1CNc1cccc(C#N)c1C ZINC000826171026 608321616 /nfs/dbraw/zinc/32/16/16/608321616.db2.gz ZCHNFPDOWLDSFZ-UHFFFAOYSA-N -1 3 320.356 2.668 20 30 DFEDHM COc1cc(-c2nn[n-]n2)ccc1CNc1cccc(C#N)c1C ZINC000826171026 608321617 /nfs/dbraw/zinc/32/16/17/608321617.db2.gz ZCHNFPDOWLDSFZ-UHFFFAOYSA-N -1 3 320.356 2.668 20 30 DFEDHM N#Cc1cccc(COc2ccc(-c3nnn[n-]3)c(F)c2)c1F ZINC000826386615 608397481 /nfs/dbraw/zinc/39/74/81/608397481.db2.gz LZGHDRBWOJEXHA-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM N#Cc1cccc(COc2ccc(-c3nn[n-]n3)c(F)c2)c1F ZINC000826386615 608397483 /nfs/dbraw/zinc/39/74/83/608397483.db2.gz LZGHDRBWOJEXHA-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM N#Cc1ccc(OCc2cccc(-c3nnn[n-]3)c2F)c(F)c1 ZINC000826385825 608399592 /nfs/dbraw/zinc/39/95/92/608399592.db2.gz CKSUTWNHXUZUBA-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM N#Cc1ccc(OCc2cccc(-c3nn[n-]n3)c2F)c(F)c1 ZINC000826385825 608399594 /nfs/dbraw/zinc/39/95/94/608399594.db2.gz CKSUTWNHXUZUBA-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM CCCCC(COC)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825260662 608538811 /nfs/dbraw/zinc/53/88/11/608538811.db2.gz QIJIQICCOODGMK-UHFFFAOYSA-N -1 3 323.788 2.520 20 30 DFEDHM CCCCC(COC)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825260662 608538813 /nfs/dbraw/zinc/53/88/13/608538813.db2.gz QIJIQICCOODGMK-UHFFFAOYSA-N -1 3 323.788 2.520 20 30 DFEDHM Fc1cccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000826376414 608541441 /nfs/dbraw/zinc/54/14/41/608541441.db2.gz CTCNRFSRCDFZMX-UHFFFAOYSA-N -1 3 317.715 2.500 20 30 DFEDHM Fc1cccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000826376414 608541443 /nfs/dbraw/zinc/54/14/43/608541443.db2.gz CTCNRFSRCDFZMX-UHFFFAOYSA-N -1 3 317.715 2.500 20 30 DFEDHM N#Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000826383609 608574113 /nfs/dbraw/zinc/57/41/13/608574113.db2.gz IQSXMHMOCFWFOI-UHFFFAOYSA-N -1 3 324.731 2.644 20 30 DFEDHM N#Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000826383609 608574114 /nfs/dbraw/zinc/57/41/14/608574114.db2.gz IQSXMHMOCFWFOI-UHFFFAOYSA-N -1 3 324.731 2.644 20 30 DFEDHM O=C1c2cc(F)ccc2CC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475433 608881620 /nfs/dbraw/zinc/88/16/20/608881620.db2.gz GENPXJRXTSLMLS-WZUFQYTHSA-N -1 3 324.290 2.967 20 30 DFEDHM O=C1c2cc(F)ccc2CC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475433 608881624 /nfs/dbraw/zinc/88/16/24/608881624.db2.gz GENPXJRXTSLMLS-WZUFQYTHSA-N -1 3 324.290 2.967 20 30 DFEDHM N#Cc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826387115 609134035 /nfs/dbraw/zinc/13/40/35/609134035.db2.gz GYBSCOXMPHNYRI-VURMDHGXSA-N -1 3 319.299 2.774 20 30 DFEDHM N#Cc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826387115 609134036 /nfs/dbraw/zinc/13/40/36/609134036.db2.gz GYBSCOXMPHNYRI-VURMDHGXSA-N -1 3 319.299 2.774 20 30 DFEDHM C=CCC[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823894872 609226074 /nfs/dbraw/zinc/22/60/74/609226074.db2.gz YQXSVKAOZOBTEK-CQSZACIVSA-N -1 3 322.372 2.632 20 30 DFEDHM C=CCC[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823894872 609226075 /nfs/dbraw/zinc/22/60/75/609226075.db2.gz YQXSVKAOZOBTEK-CQSZACIVSA-N -1 3 322.372 2.632 20 30 DFEDHM N#Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000826384006 609272409 /nfs/dbraw/zinc/27/24/09/609272409.db2.gz BLNYNNDRHDAWLV-YWEYNIOJSA-N -1 3 319.299 2.774 20 30 DFEDHM N#Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000826384006 609272410 /nfs/dbraw/zinc/27/24/10/609272410.db2.gz BLNYNNDRHDAWLV-YWEYNIOJSA-N -1 3 319.299 2.774 20 30 DFEDHM O=C(C=Cc1ccsc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402913 609273074 /nfs/dbraw/zinc/27/30/74/609273074.db2.gz FUYINZXJJJDMSW-DAFODLJHSA-N -1 3 300.318 2.963 20 30 DFEDHM O=C(C=Cc1ccsc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402913 609273075 /nfs/dbraw/zinc/27/30/75/609273075.db2.gz FUYINZXJJJDMSW-DAFODLJHSA-N -1 3 300.318 2.963 20 30 DFEDHM C=C(C)CN(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823873584 609382051 /nfs/dbraw/zinc/38/20/51/609382051.db2.gz NSTUBIHJOCDCJD-UHFFFAOYSA-N -1 3 306.757 2.560 20 30 DFEDHM C=C(C)CN(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823873584 609382053 /nfs/dbraw/zinc/38/20/53/609382053.db2.gz NSTUBIHJOCDCJD-UHFFFAOYSA-N -1 3 306.757 2.560 20 30 DFEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cncs1 ZINC000823958136 609470337 /nfs/dbraw/zinc/47/03/37/609470337.db2.gz DRBMKMUHZRZBEE-UHFFFAOYSA-N -1 3 319.781 2.813 20 30 DFEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cncs1 ZINC000823958136 609470338 /nfs/dbraw/zinc/47/03/38/609470338.db2.gz DRBMKMUHZRZBEE-UHFFFAOYSA-N -1 3 319.781 2.813 20 30 DFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H](C1CCC1)C1CCCC1 ZINC000592071597 398380443 /nfs/dbraw/zinc/38/04/43/398380443.db2.gz MQDCAXCFIQGOOR-INIZCTEOSA-N -1 3 319.430 2.590 20 30 DFEDHM O=C(Cc1ccc(F)cc1F)Nc1nnc(C(F)(F)F)[n-]1 ZINC000087167875 398426506 /nfs/dbraw/zinc/42/65/06/398426506.db2.gz MWCBOAHHKAGKCO-UHFFFAOYSA-N -1 3 306.194 2.932 20 30 DFEDHM O=C(Cc1ccc(F)cc1F)Nc1nc(C(F)(F)F)n[n-]1 ZINC000087167875 398426509 /nfs/dbraw/zinc/42/65/09/398426509.db2.gz MWCBOAHHKAGKCO-UHFFFAOYSA-N -1 3 306.194 2.932 20 30 DFEDHM COc1ccc(C)cc1CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000029389136 398484388 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XZRBPDSAZZINAX-SNVBAGLBSA-N -1 3 308.370 2.987 20 30 DFEDHM Cc1cn(Cc2ccccc2C(C)(C)C#N)cc1-c1nnn[n-]1 ZINC000822384760 607330380 /nfs/dbraw/zinc/33/03/80/607330380.db2.gz RZOQNOPPRYZFBA-UHFFFAOYSA-N -1 3 306.373 2.826 20 30 DFEDHM Cc1cn(Cc2ccccc2C(C)(C)C#N)cc1-c1nn[n-]n1 ZINC000822384760 607330381 /nfs/dbraw/zinc/33/03/81/607330381.db2.gz RZOQNOPPRYZFBA-UHFFFAOYSA-N -1 3 306.373 2.826 20 30 DFEDHM C=C(C)CN1CCC(NC(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000819706113 598177995 /nfs/dbraw/zinc/17/79/95/598177995.db2.gz PIIUBLYFINZIAA-UHFFFAOYSA-N -1 3 317.389 2.547 20 30 DFEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccnc2ccccc12 ZINC000735399934 598545537 /nfs/dbraw/zinc/54/55/37/598545537.db2.gz OOFFNKJSJMDGPO-UHFFFAOYSA-N -1 3 315.340 2.861 20 30 DFEDHM C(=NNc1cccc2cnccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000735399115 598641045 /nfs/dbraw/zinc/64/10/45/598641045.db2.gz IQWZHYGFCYFDIZ-UHFFFAOYSA-N -1 3 315.340 2.861 20 30 DFEDHM C(=NNc1cccc2cnccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000735399115 598641046 /nfs/dbraw/zinc/64/10/46/598641046.db2.gz IQWZHYGFCYFDIZ-UHFFFAOYSA-N -1 3 315.340 2.861 20 30 DFEDHM Cc1cc(F)ccc1N(CC#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737263739 598703972 /nfs/dbraw/zinc/70/39/72/598703972.db2.gz OULSLCYLSMLLMC-UHFFFAOYSA-N -1 3 322.347 2.844 20 30 DFEDHM Cc1cc(F)ccc1N(CC#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737263739 598703973 /nfs/dbraw/zinc/70/39/73/598703973.db2.gz OULSLCYLSMLLMC-UHFFFAOYSA-N -1 3 322.347 2.844 20 30 DFEDHM CC(C)n1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000735959643 598761146 /nfs/dbraw/zinc/76/11/46/598761146.db2.gz AAIAEQKNBONVOJ-BAQGIRSFSA-N -1 3 308.345 2.540 20 30 DFEDHM CC(C)n1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000735959643 598761147 /nfs/dbraw/zinc/76/11/47/598761147.db2.gz AAIAEQKNBONVOJ-BAQGIRSFSA-N -1 3 308.345 2.540 20 30 DFEDHM Cc1cccc2c1CCC2=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000737410772 598787977 /nfs/dbraw/zinc/78/79/77/598787977.db2.gz SSRIHSJOXOLJJX-UHFFFAOYSA-N -1 3 304.357 2.938 20 30 DFEDHM C=C(C)CN(CC)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819722514 599679566 /nfs/dbraw/zinc/67/95/66/599679566.db2.gz LEOQXYMSGTUIFE-LBPRGKRZSA-N -1 3 314.393 2.535 20 30 DFEDHM C=C(C)CN(CC)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819722514 599679567 /nfs/dbraw/zinc/67/95/67/599679567.db2.gz LEOQXYMSGTUIFE-LBPRGKRZSA-N -1 3 314.393 2.535 20 30 DFEDHM N#CCSCCCSc1ccc(-c2nnn[n-]2)cc1F ZINC000822815558 599690181 /nfs/dbraw/zinc/69/01/81/599690181.db2.gz STOFCBBBNFBUMO-UHFFFAOYSA-N -1 3 309.395 2.745 20 30 DFEDHM N#CCSCCCSc1ccc(-c2nn[n-]n2)cc1F ZINC000822815558 599690182 /nfs/dbraw/zinc/69/01/82/599690182.db2.gz STOFCBBBNFBUMO-UHFFFAOYSA-N -1 3 309.395 2.745 20 30 DFEDHM Fc1ccc(NN=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822782841 607461913 /nfs/dbraw/zinc/46/19/13/607461913.db2.gz JBCHFJKICRAALG-UHFFFAOYSA-N -1 3 300.272 2.591 20 30 DFEDHM Fc1ccc(NN=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822782841 607461915 /nfs/dbraw/zinc/46/19/15/607461915.db2.gz JBCHFJKICRAALG-UHFFFAOYSA-N -1 3 300.272 2.591 20 30 DFEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000833074370 601309811 /nfs/dbraw/zinc/30/98/11/601309811.db2.gz WQIBNQQYKNRRLY-CHWSQXEVSA-N -1 3 312.291 2.958 20 30 DFEDHM CN(Cc1ccc2c(c1)OCO2)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830839988 601310296 /nfs/dbraw/zinc/31/02/96/601310296.db2.gz HADMPBSUJVQRPP-KRWDZBQOSA-N -1 3 324.336 2.545 20 30 DFEDHM Fc1ccc(C=CC=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826374146 607655795 /nfs/dbraw/zinc/65/57/95/607655795.db2.gz NIRUDCICWQBNJJ-CAZBMPHGSA-N -1 3 322.347 2.795 20 30 DFEDHM Fc1ccc(C=CC=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826374146 607655796 /nfs/dbraw/zinc/65/57/96/607655796.db2.gz NIRUDCICWQBNJJ-CAZBMPHGSA-N -1 3 322.347 2.795 20 30 DFEDHM C=CCOc1ccc(CN2CCSC[C@H]2CC(=O)[O-])cc1 ZINC000833377636 604657491 /nfs/dbraw/zinc/65/74/91/604657491.db2.gz GSTKCUUEIOAEPN-CQSZACIVSA-N -1 3 307.415 2.644 20 30 DFEDHM CCc1cnccc1[C@@H](C)N[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833672738 605270107 /nfs/dbraw/zinc/27/01/07/605270107.db2.gz DLMFNGUWTRNKAB-PXAZEXFGSA-N -1 3 309.369 2.992 20 30 DFEDHM N#Cc1ccc(CN2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@@H]3C2)c(F)c1 ZINC000833972101 605450461 /nfs/dbraw/zinc/45/04/61/605450461.db2.gz VEEMFDJQOFAQSK-JGGQBBKZSA-N -1 3 317.364 2.565 20 30 DFEDHM CCCN(Cc1ccccc1C#N)C1CCN(C(=O)[O-])CC1 ZINC000826912269 605469080 /nfs/dbraw/zinc/46/90/80/605469080.db2.gz VOTBDSNECPWLMW-UHFFFAOYSA-N -1 3 301.390 2.913 20 30 DFEDHM C#CCCOc1ccc(CN2CC[C@H](NC(=O)[O-])C[C@@H]2C)cc1 ZINC000833787122 605680059 /nfs/dbraw/zinc/68/00/59/605680059.db2.gz GQVNOMCVQNRACM-HOCLYGCPSA-N -1 3 316.401 2.709 20 30 DFEDHM C#CCCOc1ccc(CN2CC[C@H](NC(=O)[O-])C[C@H]2C)cc1 ZINC000833787123 605680099 /nfs/dbraw/zinc/68/00/99/605680099.db2.gz GQVNOMCVQNRACM-ZBFHGGJFSA-N -1 3 316.401 2.709 20 30 DFEDHM Fc1cccc(NN=Cc2cc(-c3nnn[n-]3)cs2)c1F ZINC000822792401 606206164 /nfs/dbraw/zinc/20/61/64/606206164.db2.gz VIEQFBUITMWJRR-UHFFFAOYSA-N -1 3 306.301 2.652 20 30 DFEDHM Fc1cccc(NN=Cc2cc(-c3nn[n-]n3)cs2)c1F ZINC000822792401 606206166 /nfs/dbraw/zinc/20/61/66/606206166.db2.gz VIEQFBUITMWJRR-UHFFFAOYSA-N -1 3 306.301 2.652 20 30 DFEDHM N#Cc1csc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822846233 606306139 /nfs/dbraw/zinc/30/61/39/606306139.db2.gz QQRGPKXFRACFPN-SNAWJCMRSA-N -1 3 307.338 2.696 20 30 DFEDHM N#Cc1csc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822846233 606306141 /nfs/dbraw/zinc/30/61/41/606306141.db2.gz QQRGPKXFRACFPN-SNAWJCMRSA-N -1 3 307.338 2.696 20 30 DFEDHM O=C1c2cccc(F)c2CC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823504221 606306324 /nfs/dbraw/zinc/30/63/24/606306324.db2.gz NFFVEJNVLCAKBD-YWEYNIOJSA-N -1 3 312.329 2.890 20 30 DFEDHM O=C1c2cccc(F)c2CC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823504221 606306326 /nfs/dbraw/zinc/30/63/26/606306326.db2.gz NFFVEJNVLCAKBD-YWEYNIOJSA-N -1 3 312.329 2.890 20 30 DFEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)COc2ccccc21 ZINC000823503870 606388218 /nfs/dbraw/zinc/38/82/18/606388218.db2.gz JOWYEFXVFZEVLD-CLFYSBASSA-N -1 3 310.338 2.587 20 30 DFEDHM CCc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)o1 ZINC000821476251 606470268 /nfs/dbraw/zinc/47/02/68/606470268.db2.gz KAGXYIWZWHJIEE-DAXSKMNVSA-N -1 3 324.340 2.927 20 30 DFEDHM CCc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)o1 ZINC000821476251 606470269 /nfs/dbraw/zinc/47/02/69/606470269.db2.gz KAGXYIWZWHJIEE-DAXSKMNVSA-N -1 3 324.340 2.927 20 30 DFEDHM C=CCN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819739729 606500860 /nfs/dbraw/zinc/50/08/60/606500860.db2.gz FPJBKMGMPFSCKK-UHFFFAOYSA-N -1 3 319.368 2.628 20 30 DFEDHM C=CCN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819739729 606500862 /nfs/dbraw/zinc/50/08/62/606500862.db2.gz FPJBKMGMPFSCKK-UHFFFAOYSA-N -1 3 319.368 2.628 20 30 DFEDHM COc1ccc(C=CC(=O)c2ccccc2F)cc1-c1nnn[n-]1 ZINC000821787758 606857452 /nfs/dbraw/zinc/85/74/52/606857452.db2.gz ZMCWXQWOADQRQU-SOFGYWHQSA-N -1 3 324.315 2.911 20 30 DFEDHM COc1ccc(C=CC(=O)c2ccccc2F)cc1-c1nn[n-]n1 ZINC000821787758 606857462 /nfs/dbraw/zinc/85/74/62/606857462.db2.gz ZMCWXQWOADQRQU-SOFGYWHQSA-N -1 3 324.315 2.911 20 30 DFEDHM C=CCCOC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000819740067 606887892 /nfs/dbraw/zinc/88/78/92/606887892.db2.gz NIGFWILJTGSDQP-UHFFFAOYSA-N -1 3 312.251 2.618 20 30 DFEDHM C=CCCOC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000819740067 606887895 /nfs/dbraw/zinc/88/78/95/606887895.db2.gz NIGFWILJTGSDQP-UHFFFAOYSA-N -1 3 312.251 2.618 20 30 DFEDHM C=CCC(CC=C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819734798 607019472 /nfs/dbraw/zinc/01/94/72/607019472.db2.gz UFNLQQLEXFWZBJ-UHFFFAOYSA-N -1 3 301.325 2.713 20 30 DFEDHM C=CCC(CC=C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819734798 607019473 /nfs/dbraw/zinc/01/94/73/607019473.db2.gz UFNLQQLEXFWZBJ-UHFFFAOYSA-N -1 3 301.325 2.713 20 30 DFEDHM Cc1ccc(F)c(NN=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822239748 607111574 /nfs/dbraw/zinc/11/15/74/607111574.db2.gz CHMMLGNXSICTFV-UHFFFAOYSA-N -1 3 302.338 2.822 20 30 DFEDHM Cc1ccc(F)c(NN=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822239748 607111575 /nfs/dbraw/zinc/11/15/75/607111575.db2.gz CHMMLGNXSICTFV-UHFFFAOYSA-N -1 3 302.338 2.822 20 30 DFEDHM C=CCC(CC=C)C(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1 ZINC000823888023 607797645 /nfs/dbraw/zinc/79/76/45/607797645.db2.gz CZZGHFALBCKNLD-UHFFFAOYSA-N -1 3 311.389 2.988 20 30 DFEDHM C=CCC(CC=C)C(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC000823888023 607797646 /nfs/dbraw/zinc/79/76/46/607797646.db2.gz CZZGHFALBCKNLD-UHFFFAOYSA-N -1 3 311.389 2.988 20 30 DFEDHM C(=NNc1cccc2ncccc21)c1ccccc1-c1nnn[n-]1 ZINC000823868280 607885801 /nfs/dbraw/zinc/88/58/01/607885801.db2.gz UMZAPMGNOYOQBW-UHFFFAOYSA-N -1 3 315.340 2.861 20 30 DFEDHM C(=NNc1cccc2ncccc21)c1ccccc1-c1nn[n-]n1 ZINC000823868280 607885802 /nfs/dbraw/zinc/88/58/02/607885802.db2.gz UMZAPMGNOYOQBW-UHFFFAOYSA-N -1 3 315.340 2.861 20 30 DFEDHM O=C1c2ccccc2CC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826476005 607916456 /nfs/dbraw/zinc/91/64/56/607916456.db2.gz YOCLWCASRPXQOW-GHXNOFRVSA-N -1 3 306.300 2.828 20 30 DFEDHM O=C1c2ccccc2CC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826476005 607916457 /nfs/dbraw/zinc/91/64/57/607916457.db2.gz YOCLWCASRPXQOW-GHXNOFRVSA-N -1 3 306.300 2.828 20 30 DFEDHM CC1(C)CCC[C@@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC000824802054 607926212 /nfs/dbraw/zinc/92/62/12/607926212.db2.gz KTKVTHKVPGYJBA-LLVKDONJSA-N -1 3 324.388 2.893 20 30 DFEDHM CC1(C)CCC[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC000824802054 607926213 /nfs/dbraw/zinc/92/62/13/607926213.db2.gz KTKVTHKVPGYJBA-LLVKDONJSA-N -1 3 324.388 2.893 20 30 DFEDHM N#Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826384008 608092872 /nfs/dbraw/zinc/09/28/72/608092872.db2.gz BOBRRXINRDFBAR-CLTKARDFSA-N -1 3 307.338 2.696 20 30 DFEDHM N#Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826384008 608092873 /nfs/dbraw/zinc/09/28/73/608092873.db2.gz BOBRRXINRDFBAR-CLTKARDFSA-N -1 3 307.338 2.696 20 30 DFEDHM C=CCOc1ccccc1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC000823932415 608286182 /nfs/dbraw/zinc/28/61/82/608286182.db2.gz XNSOHUNPEOZLII-UHFFFAOYSA-N -1 3 322.372 2.747 20 30 DFEDHM C=CCOc1ccccc1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC000823932415 608286183 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C[C@@H](C#N)Oc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000824035305 609512164 /nfs/dbraw/zinc/51/21/64/609512164.db2.gz WOWOVEIVLDBLQL-LBPRGKRZSA-N -1 3 320.356 2.770 20 30 DFEDHM C[C@@H](C#N)Oc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000824035305 609512166 /nfs/dbraw/zinc/51/21/66/609512166.db2.gz WOWOVEIVLDBLQL-LBPRGKRZSA-N -1 3 320.356 2.770 20 30 DFEDHM CC(=NNc1ccc2n[nH]cc2c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823958137 609521198 /nfs/dbraw/zinc/52/11/98/609521198.db2.gz DTFRUUZEHUYQQH-UHFFFAOYSA-N -1 3 324.373 2.641 20 30 DFEDHM Cc1ccnc(N[C@@H](C)c2cccc(C#N)c2)c1-c1nnn[n-]1 ZINC000826312118 609564945 /nfs/dbraw/zinc/56/49/45/609564945.db2.gz WKJAGOWTPKLPBH-NSHDSACASA-N -1 3 305.345 2.615 20 30 DFEDHM Cc1ccnc(N[C@@H](C)c2cccc(C#N)c2)c1-c1nn[n-]n1 ZINC000826312118 609564946 /nfs/dbraw/zinc/56/49/46/609564946.db2.gz WKJAGOWTPKLPBH-NSHDSACASA-N -1 3 305.345 2.615 20 30 DFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000076936688 185057957 /nfs/dbraw/zinc/05/79/57/185057957.db2.gz 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/nfs/dbraw/zinc/02/83/37/607028337.db2.gz DTWVIAUHJYVORL-UHFFFAOYSA-N -1 3 312.333 2.565 20 30 DFEDHM N#Cc1ccc(F)cc1CSc1ccc(-c2nn[n-]n2)cn1 ZINC000822829691 607028338 /nfs/dbraw/zinc/02/83/38/607028338.db2.gz DTWVIAUHJYVORL-UHFFFAOYSA-N -1 3 312.333 2.565 20 30 DFEDHM Cc1ccc(-c2nnn[n-]2)cc1OCCOc1ccc(C#N)cc1 ZINC000822221147 607031301 /nfs/dbraw/zinc/03/13/01/607031301.db2.gz CKRWDXNYTCOVKW-UHFFFAOYSA-N -1 3 321.340 2.505 20 30 DFEDHM Cc1ccc(-c2nn[n-]n2)cc1OCCOc1ccc(C#N)cc1 ZINC000822221147 607031304 /nfs/dbraw/zinc/03/13/04/607031304.db2.gz CKRWDXNYTCOVKW-UHFFFAOYSA-N -1 3 321.340 2.505 20 30 DFEDHM C=C(Cl)COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000819729101 607040515 /nfs/dbraw/zinc/04/05/15/607040515.db2.gz CFMLRJWEYTUGIH-UHFFFAOYSA-N -1 3 315.558 2.761 20 30 DFEDHM C=C(Cl)COc1ccc(Br)cc1-c1nn[n-]n1 ZINC000819729101 607040516 /nfs/dbraw/zinc/04/05/16/607040516.db2.gz CFMLRJWEYTUGIH-UHFFFAOYSA-N -1 3 315.558 2.761 20 30 DFEDHM C=CCc1ccccc1OC[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823937475 607871492 /nfs/dbraw/zinc/87/14/92/607871492.db2.gz ZISSJNXAZKVLHI-INIZCTEOSA-N -1 3 322.368 2.708 20 30 DFEDHM C=CCc1ccccc1OC[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823937475 607871493 /nfs/dbraw/zinc/87/14/93/607871493.db2.gz ZISSJNXAZKVLHI-INIZCTEOSA-N -1 3 322.368 2.708 20 30 DFEDHM O=C1c2cccc(O)c2CCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475894 607885224 /nfs/dbraw/zinc/88/52/24/607885224.db2.gz VKZABSLPNYVMMQ-BENRWUELSA-N -1 3 318.336 2.785 20 30 DFEDHM O=C1c2cccc(O)c2CCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475894 607885225 /nfs/dbraw/zinc/88/52/25/607885225.db2.gz VKZABSLPNYVMMQ-BENRWUELSA-N -1 3 318.336 2.785 20 30 DFEDHM CCCn1nc(C)c(C=NNc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825361711 607885835 /nfs/dbraw/zinc/88/58/35/607885835.db2.gz HLTPKVLVASSFRJ-UHFFFAOYSA-N -1 3 324.392 2.536 20 30 DFEDHM Fc1cccc(F)c1N=NCc1ccccc1-c1nnn[n-]1 ZINC000826377643 607888616 /nfs/dbraw/zinc/88/86/16/607888616.db2.gz ZTIWIFQUCWSTMS-UHFFFAOYSA-N -1 3 300.272 2.591 20 30 DFEDHM Fc1cccc(F)c1N=NCc1ccccc1-c1nn[n-]n1 ZINC000826377643 607888617 /nfs/dbraw/zinc/88/86/17/607888617.db2.gz ZTIWIFQUCWSTMS-UHFFFAOYSA-N -1 3 300.272 2.591 20 30 DFEDHM C[C@@H](NCc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000824626059 607908288 /nfs/dbraw/zinc/90/82/88/607908288.db2.gz LQYYDWCHCFYNCD-GFCCVEGCSA-N -1 3 304.357 2.589 20 30 DFEDHM C[C@@H](C=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000824385477 607930855 /nfs/dbraw/zinc/93/08/55/607930855.db2.gz UYGDGGKBYDBOFO-LBPRGKRZSA-N -1 3 324.363 2.885 20 30 DFEDHM C[C@@H](C=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000824385477 607930856 /nfs/dbraw/zinc/93/08/56/607930856.db2.gz UYGDGGKBYDBOFO-LBPRGKRZSA-N -1 3 324.363 2.885 20 30 DFEDHM CC(=[NH+][N-]c1cccc(-c2nnn[n-]2)c1)c1ccc(N)cc1C ZINC000823958138 607964472 /nfs/dbraw/zinc/96/44/72/607964472.db2.gz DVCGZBNNHVBHJC-UHFFFAOYSA-N -1 3 307.361 2.593 20 30 DFEDHM CC(=[NH+][N-]c1cccc(-c2nn[n-]n2)c1)c1ccc(N)cc1C ZINC000823958138 607964473 /nfs/dbraw/zinc/96/44/73/607964473.db2.gz DVCGZBNNHVBHJC-UHFFFAOYSA-N -1 3 307.361 2.593 20 30 DFEDHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(C#N)o1 ZINC000825352227 607974854 /nfs/dbraw/zinc/97/48/54/607974854.db2.gz KTMRVRHRYIOPPK-UHFFFAOYSA-N -1 3 319.328 2.758 20 30 DFEDHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(C#N)o1 ZINC000825352227 607974855 /nfs/dbraw/zinc/97/48/55/607974855.db2.gz KTMRVRHRYIOPPK-UHFFFAOYSA-N -1 3 319.328 2.758 20 30 DFEDHM O=C(C=Cc1nc(Cl)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826402918 607982326 /nfs/dbraw/zinc/98/23/26/607982326.db2.gz FZUHAONQEJGPGO-WAYWQWQTSA-N -1 3 317.761 2.873 20 30 DFEDHM O=C(C=Cc1nc(Cl)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826402918 607982327 /nfs/dbraw/zinc/98/23/27/607982327.db2.gz FZUHAONQEJGPGO-WAYWQWQTSA-N -1 3 317.761 2.873 20 30 DFEDHM CCC(CC)[C@H](C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000825095447 608064107 /nfs/dbraw/zinc/06/41/07/608064107.db2.gz GODACIUKBDMSBR-JTQLQIEISA-N -1 3 312.377 2.749 20 30 DFEDHM CCC(CC)[C@H](C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000825095447 608064108 /nfs/dbraw/zinc/06/41/08/608064108.db2.gz GODACIUKBDMSBR-JTQLQIEISA-N -1 3 312.377 2.749 20 30 DFEDHM CCc1cnccc1C(C)=NNc1cccc(-c2nnn[n-]2)c1 ZINC000825733622 608229140 /nfs/dbraw/zinc/22/91/40/608229140.db2.gz GMVFQUNWWNYJET-UHFFFAOYSA-N -1 3 307.361 2.660 20 30 DFEDHM CCc1cnccc1C(C)=NNc1cccc(-c2nn[n-]n2)c1 ZINC000825733622 608229142 /nfs/dbraw/zinc/22/91/42/608229142.db2.gz GMVFQUNWWNYJET-UHFFFAOYSA-N -1 3 307.361 2.660 20 30 DFEDHM COc1cc(C#N)ccc1COc1ccc(-c2nn[n-]n2)cc1C ZINC000826176978 608324115 /nfs/dbraw/zinc/32/41/15/608324115.db2.gz MIVMGGGUKZLALQ-UHFFFAOYSA-N -1 3 321.340 2.634 20 30 DFEDHM CCc1cnccc1C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC000825733288 608328170 /nfs/dbraw/zinc/32/81/70/608328170.db2.gz ARIDMSABIKZNOE-VOTSOKGWSA-N -1 3 305.341 2.720 20 30 DFEDHM CCc1cnccc1C(=O)C=Cc1cccc(-c2nn[n-]n2)c1 ZINC000825733288 608328173 /nfs/dbraw/zinc/32/81/73/608328173.db2.gz ARIDMSABIKZNOE-VOTSOKGWSA-N -1 3 305.341 2.720 20 30 DFEDHM C=CCCC[C@H](C)OC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000823894019 608332468 /nfs/dbraw/zinc/33/24/68/608332468.db2.gz DVTUWJGTSWFXSQ-LBPRGKRZSA-N -1 3 316.361 2.534 20 30 DFEDHM C=CCCC[C@H](C)OC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000823894019 608332469 /nfs/dbraw/zinc/33/24/69/608332469.db2.gz DVTUWJGTSWFXSQ-LBPRGKRZSA-N -1 3 316.361 2.534 20 30 DFEDHM C=CCCC[C@H](C)OC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823894250 608332810 /nfs/dbraw/zinc/33/28/10/608332810.db2.gz LJVKKDXQMJPCJP-LBPRGKRZSA-N -1 3 300.362 2.697 20 30 DFEDHM C=CCCC[C@H](C)OC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823894250 608332812 /nfs/dbraw/zinc/33/28/12/608332812.db2.gz LJVKKDXQMJPCJP-LBPRGKRZSA-N -1 3 300.362 2.697 20 30 DFEDHM Cc1scc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1C ZINC000826350207 608343176 /nfs/dbraw/zinc/34/31/76/608343176.db2.gz MFKGSVADHJFXPQ-UHFFFAOYSA-N -1 3 324.369 2.669 20 30 DFEDHM Cc1scc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1C ZINC000826350207 608343178 /nfs/dbraw/zinc/34/31/78/608343178.db2.gz MFKGSVADHJFXPQ-UHFFFAOYSA-N -1 3 324.369 2.669 20 30 DFEDHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N(C)C[C@@H](C)C#N)c2c1 ZINC000826263560 608368110 /nfs/dbraw/zinc/36/81/10/608368110.db2.gz HKTUFTUDQKKEBN-NSHDSACASA-N -1 3 321.388 2.628 20 30 DFEDHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N(C)C[C@@H](C)C#N)c2c1 ZINC000826263560 608368112 /nfs/dbraw/zinc/36/81/12/608368112.db2.gz HKTUFTUDQKKEBN-NSHDSACASA-N -1 3 321.388 2.628 20 30 DFEDHM C[C@H](NCc1ccc(F)cc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000824617997 608490975 /nfs/dbraw/zinc/49/09/75/608490975.db2.gz MJMHWTCPJSUZKG-NSHDSACASA-N -1 3 322.347 2.728 20 30 DFEDHM Cc1ccccc1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826306678 608540917 /nfs/dbraw/zinc/54/09/17/608540917.db2.gz HRGVPBMDZNXPPY-UHFFFAOYSA-N -1 3 313.752 2.670 20 30 DFEDHM Cc1ccccc1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826306678 608540918 /nfs/dbraw/zinc/54/09/18/608540918.db2.gz HRGVPBMDZNXPPY-UHFFFAOYSA-N -1 3 313.752 2.670 20 30 DFEDHM Cc1ncsc1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826331487 608877354 /nfs/dbraw/zinc/87/73/54/608877354.db2.gz KPXBVAWCSDTAQH-HWKANZROSA-N -1 3 315.333 2.667 20 30 DFEDHM Cc1ncsc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826331487 608877357 /nfs/dbraw/zinc/87/73/57/608877357.db2.gz KPXBVAWCSDTAQH-HWKANZROSA-N -1 3 315.333 2.667 20 30 DFEDHM O=C1c2cccc(F)c2CC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475983 608878223 /nfs/dbraw/zinc/87/82/23/608878223.db2.gz XYDBDHACDYXDRI-UXBLZVDNSA-N -1 3 324.290 2.967 20 30 DFEDHM O=C1c2cccc(F)c2CC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475983 608878224 /nfs/dbraw/zinc/87/82/24/608878224.db2.gz XYDBDHACDYXDRI-UXBLZVDNSA-N -1 3 324.290 2.967 20 30 DFEDHM CC(=NNc1ccccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823963150 609159564 /nfs/dbraw/zinc/15/95/64/609159564.db2.gz WWVINKNAMZEIEK-UHFFFAOYSA-N -1 3 314.299 2.981 20 30 DFEDHM CC(=NNc1ccccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823963150 609159566 /nfs/dbraw/zinc/15/95/66/609159566.db2.gz WWVINKNAMZEIEK-UHFFFAOYSA-N -1 3 314.299 2.981 20 30 DFEDHM C=C(C)CN(C)c1c(-c2nnn[n-]2)cnc2c(C)cc(F)cc21 ZINC000823877827 609317711 /nfs/dbraw/zinc/31/77/11/609317711.db2.gz HCQOBHFSCPWITQ-UHFFFAOYSA-N -1 3 312.352 2.875 20 30 DFEDHM C=C(C)CN(C)c1c(-c2nn[n-]n2)cnc2c(C)cc(F)cc21 ZINC000823877827 609317713 /nfs/dbraw/zinc/31/77/13/609317713.db2.gz HCQOBHFSCPWITQ-UHFFFAOYSA-N -1 3 312.352 2.875 20 30 DFEDHM CC(C)Oc1ccc(NCc2ccc(C#N)o2)cc1-c1nnn[n-]1 ZINC000824329778 609492357 /nfs/dbraw/zinc/49/23/57/609492357.db2.gz VPOQDZCDAFJRGL-UHFFFAOYSA-N -1 3 324.344 2.731 20 30 DFEDHM CC(C)Oc1ccc(NCc2ccc(C#N)o2)cc1-c1nn[n-]n1 ZINC000824329778 609492358 /nfs/dbraw/zinc/49/23/58/609492358.db2.gz VPOQDZCDAFJRGL-UHFFFAOYSA-N -1 3 324.344 2.731 20 30 DFEDHM C[C@]1(C#N)CCCN(c2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000824776983 609600145 /nfs/dbraw/zinc/60/01/45/609600145.db2.gz GHOZCUADVAVMCR-QGZVFWFLSA-N -1 3 319.372 2.545 20 30 DFEDHM C[C@]1(C#N)CCCN(c2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC000824776983 609600146 /nfs/dbraw/zinc/60/01/46/609600146.db2.gz GHOZCUADVAVMCR-QGZVFWFLSA-N -1 3 319.372 2.545 20 30 DFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC(C2CC2)C2CC2)c(Cl)c1 ZINC000227303148 398352219 /nfs/dbraw/zinc/35/22/19/398352219.db2.gz FICQEATZZBMKOG-UHFFFAOYSA-N -1 3 324.833 2.926 20 30 DFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)CC(F)F ZINC000592067821 398379035 /nfs/dbraw/zinc/37/90/35/398379035.db2.gz SVPIFSFGAWWWJT-MRVPVSSYSA-N -1 3 322.764 2.781 20 30 DFEDHM C[C@H]1CCn2ncc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)c2C1 ZINC000581011486 398386852 /nfs/dbraw/zinc/38/68/52/398386852.db2.gz UJMIVVPVIZVXAM-RYUDHWBXSA-N -1 3 319.368 2.832 20 30 DFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000592733071 398476605 /nfs/dbraw/zinc/47/66/05/398476605.db2.gz PAOFVTTXEDKSNU-MELADBBJSA-N -1 3 313.401 2.513 20 30 DFEDHM COC(=O)c1cc(Cl)cc(NC(=O)C2(C#N)CC(C)C2)c1[O-] ZINC000588101122 398482936 /nfs/dbraw/zinc/48/29/36/398482936.db2.gz ZNEBRPTULXGLRB-UHFFFAOYSA-N -1 3 322.748 2.711 20 30 DFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCC1(C)C ZINC000286786721 219166579 /nfs/dbraw/zinc/16/65/79/219166579.db2.gz RNOBJVICRAVMJW-AWEZNQCLSA-N -1 3 301.390 2.513 20 30 DFEDHM Cc1cc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)ccc1C#N ZINC000588906261 398515547 /nfs/dbraw/zinc/51/55/47/398515547.db2.gz UEXREZFCFXWXDU-UHFFFAOYSA-N -1 3 314.357 2.723 20 30 DFEDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CCCCCC#N ZINC000588951578 398519617 /nfs/dbraw/zinc/51/96/17/398519617.db2.gz RWEFXWDVGLVSLL-UHFFFAOYSA-N -1 3 307.350 2.826 20 30 DFEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1C ZINC000032586032 398533790 /nfs/dbraw/zinc/53/37/90/398533790.db2.gz XTHGHOYIUCVTJI-UHFFFAOYSA-N -1 3 302.355 2.676 20 30 DFEDHM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)[C@H](c1ccccc1)N(C)C ZINC000589205367 398537455 /nfs/dbraw/zinc/53/74/55/398537455.db2.gz ZSCALWURPNQGIY-FZKQIMNGSA-N -1 3 323.396 2.685 20 30 DFEDHM N#Cc1cccc(C(=O)[N-]c2nc(-c3cccs3)ns2)n1 ZINC000589483383 398556150 /nfs/dbraw/zinc/55/61/50/398556150.db2.gz CHEGYLLZMHZMOL-UHFFFAOYSA-N -1 3 313.367 2.786 20 30 DFEDHM CC(C)OCc1cc(NC(=O)c2cccc(C#N)n2)ccc1[O-] ZINC000589533383 398559563 /nfs/dbraw/zinc/55/95/63/398559563.db2.gz DUYSMESRTZYRML-UHFFFAOYSA-N -1 3 311.341 2.836 20 30 DFEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1CC1 ZINC000323898275 398561361 /nfs/dbraw/zinc/56/13/61/398561361.db2.gz PBJIXHDDIWOXMK-CQSZACIVSA-N -1 3 312.822 2.925 20 30 DFEDHM C[C@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccsc1C#N ZINC000593543537 398654070 /nfs/dbraw/zinc/65/40/70/398654070.db2.gz BZCOXESHUIHZEH-ZUZCIYMTSA-N -1 3 318.423 2.832 20 30 DFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2(C#N)CCCC2)c1 ZINC000593620521 398663507 /nfs/dbraw/zinc/66/35/07/398663507.db2.gz QJURITSFMXKQFT-UHFFFAOYSA-N -1 3 323.805 2.574 20 30 DFEDHM N#CC1(C[N-]S(=O)(=O)c2ccc(F)cc2Cl)CCCC1 ZINC000593619670 398663458 /nfs/dbraw/zinc/66/34/58/398663458.db2.gz BKKMYTSBIBMOHR-UHFFFAOYSA-N -1 3 316.785 2.841 20 30 DFEDHM Cc1csc(S(=O)(=O)[N-][C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000590755998 398666825 /nfs/dbraw/zinc/66/68/25/398666825.db2.gz 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ZINC000345037896 335294042 /nfs/dbraw/zinc/29/40/42/335294042.db2.gz RNHZPCSDRLKTAQ-UHFFFAOYSA-N -1 3 303.337 2.510 20 30 DFEDHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(C#N)(c3ccccn3)CC2)n1 ZINC000367056791 335607581 /nfs/dbraw/zinc/60/75/81/335607581.db2.gz BUXQDJACGHFTNB-CQSZACIVSA-N -1 3 323.400 2.504 20 30 DFEDHM Cc1nc(C2(NC(=O)c3csc(=O)[n-]3)CCCCC2)no1 ZINC000329893457 336093151 /nfs/dbraw/zinc/09/31/51/336093151.db2.gz ARHSSOAIXJEHLL-UHFFFAOYSA-N -1 3 308.363 2.704 20 30 DFEDHM O=C(NCCc1nc2c(s1)CCCC2)c1csc(=O)[n-]1 ZINC000329896860 336093310 /nfs/dbraw/zinc/09/33/10/336093310.db2.gz CPENXGIWXPHWFC-UHFFFAOYSA-N -1 3 309.416 2.731 20 30 DFEDHM CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)c1csc(=O)[n-]1)C2 ZINC000329968282 336100929 /nfs/dbraw/zinc/10/09/29/336100929.db2.gz WOZQKKSFUWERAB-SECBINFHSA-N -1 3 320.418 2.662 20 30 DFEDHM N#CC(=C([O-])c1cn2ccccc2n1)c1cnc2ccccc2n1 ZINC000361519224 336760623 /nfs/dbraw/zinc/76/06/23/336760623.db2.gz MZECFDAJMKIUFQ-GFCCVEGCSA-N -1 3 313.320 2.768 20 30 DFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000116905761 336849706 /nfs/dbraw/zinc/84/97/06/336849706.db2.gz NBOSKYSNONFSJV-MRVPVSSYSA-N -1 3 322.199 2.831 20 30 DFEDHM CCc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccccn1 ZINC000121976829 336987594 /nfs/dbraw/zinc/98/75/94/336987594.db2.gz JYMAITMBSZDWJL-ZDUSSCGKSA-N -1 3 317.352 2.715 20 30 DFEDHM Cc1ccc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c([O-])c1 ZINC000374455166 336989577 /nfs/dbraw/zinc/98/95/77/336989577.db2.gz ZRRVHEZGTIWSJS-UHFFFAOYSA-N -1 3 321.380 2.793 20 30 DFEDHM Cc1cc(Cl)cc(CN2CCN(C3CC3)[C@H](C#N)C2)c1[O-] ZINC000376486191 337034638 /nfs/dbraw/zinc/03/46/38/337034638.db2.gz SYXFQBJYZGCJOH-OAHLLOKOSA-N -1 3 305.809 2.526 20 30 DFEDHM CC(C)c1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)n(C)n1 ZINC000177588521 337157968 /nfs/dbraw/zinc/15/79/68/337157968.db2.gz QDPVPBMDCKCRDU-LLVKDONJSA-N -1 3 307.357 2.910 20 30 DFEDHM Cc1nnc(-c2ccccc2C([O-])=C(C#N)c2ccccn2)o1 ZINC000182711324 337189517 /nfs/dbraw/zinc/18/95/17/337189517.db2.gz HNPMJYCEURGWOE-CQSZACIVSA-N -1 3 304.309 2.930 20 30 DFEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1cncc2ccccc21 ZINC000571689760 337569137 /nfs/dbraw/zinc/56/91/37/337569137.db2.gz RYMUXOSZMVUZAV-UHFFFAOYSA-N -1 3 303.387 2.916 20 30 DFEDHM N#CC1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000528314671 337801683 /nfs/dbraw/zinc/80/16/83/337801683.db2.gz JZVHOLXQLCBIKE-UHFFFAOYSA-N -1 3 309.163 2.530 20 30 DFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc4c(c3)COC4)nc1-2 ZINC000429588060 338085495 /nfs/dbraw/zinc/08/54/95/338085495.db2.gz LBAWUOFOKHDWGW-AWEZNQCLSA-N -1 3 318.336 2.787 20 30 DFEDHM N#C[C@H](CCc1ccccc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000433367203 338193858 /nfs/dbraw/zinc/19/38/58/338193858.db2.gz ULZDYBBGDBEXIF-HNNXBMFYSA-N -1 3 312.344 2.920 20 30 DFEDHM Cc1cc(F)cc(-n2cc(C([O-])=C(C#N)c3ccccn3)nn2)c1 ZINC000434628973 338221869 /nfs/dbraw/zinc/22/18/69/338221869.db2.gz PQXQPRSICZMFIQ-AWEZNQCLSA-N -1 3 321.315 2.600 20 30 DFEDHM N#C[C@@]1(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CCOC1 ZINC000436937773 338294670 /nfs/dbraw/zinc/29/46/70/338294670.db2.gz IULIOPWIVYECFY-SFHVURJKSA-N -1 3 324.336 2.597 20 30 DFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000451806997 338744631 /nfs/dbraw/zinc/74/46/31/338744631.db2.gz AMRUHOMKPSUXJJ-UHFFFAOYSA-N -1 3 308.325 2.591 20 30 DFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000451809212 338744844 /nfs/dbraw/zinc/74/48/44/338744844.db2.gz IMYVCCMEISPBQS-UHFFFAOYSA-N -1 3 312.391 2.702 20 30 DFEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493929081 339936735 /nfs/dbraw/zinc/93/67/35/339936735.db2.gz WLDYXKHDGHWWKL-SSDOTTSWSA-N -1 3 324.627 2.955 20 30 DFEDHM C[C@@H](CC#N)NN=Cc1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000496887619 340015435 /nfs/dbraw/zinc/01/54/35/340015435.db2.gz XRXGYRGACCBGCY-VIFPVBQESA-N -1 3 309.395 2.716 20 30 DFEDHM C=C(C)CON=C([O-])Nc1ccc(C)c(N2CCOC2=O)c1 ZINC000497116737 340020806 /nfs/dbraw/zinc/02/08/06/340020806.db2.gz CRRDASZRSGLFLG-UHFFFAOYSA-N -1 3 305.334 2.581 20 30 DFEDHM C=C(C)CO[N-]C(=O)Nc1ccc(C)c(N2CCOC2=O)c1 ZINC000497116737 340020807 /nfs/dbraw/zinc/02/08/07/340020807.db2.gz CRRDASZRSGLFLG-UHFFFAOYSA-N -1 3 305.334 2.581 20 30 DFEDHM N#CC(=C([O-])c1ccc(OC[C@H]2CCCO2)cc1)c1ccncn1 ZINC000546859571 341183916 /nfs/dbraw/zinc/18/39/16/341183916.db2.gz LTQAOQBFQUEEEP-HZPDHXFCSA-N -1 3 323.352 2.524 20 30 DFEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000567605736 341619738 /nfs/dbraw/zinc/61/97/38/341619738.db2.gz CABXOPWCXKPHFR-YOEHRIQHSA-N -1 3 301.386 2.592 20 30 DFEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000576583236 341853616 /nfs/dbraw/zinc/85/36/16/341853616.db2.gz BMZKQQLTYBXPRE-SKDRFNHKSA-N -1 3 301.264 2.941 20 30 DFEDHM CC[C@@](C)(CCO)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331225228 500728363 /nfs/dbraw/zinc/72/83/63/500728363.db2.gz DQIZRDMKBPMWKH-KRWDZBQOSA-N -1 3 307.390 2.961 20 30 DFEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)nnn1CC1CCCC1 ZINC000684011812 546135772 /nfs/dbraw/zinc/13/57/72/546135772.db2.gz SNEZAVPGXUXUMH-CQSZACIVSA-N -1 3 309.373 2.662 20 30 DFEDHM C=CCOc1cccc([N-]S(=O)(=O)Cc2csc(C)n2)c1 ZINC000684104935 546152058 /nfs/dbraw/zinc/15/20/58/546152058.db2.gz OCFNUVOZOZBKEA-UHFFFAOYSA-N -1 3 324.427 2.958 20 30 DFEDHM C=C(C)CN(Cc1ccccc1)Cc1nc2c(cnn2C)c(=O)[n-]1 ZINC000684209142 546174033 /nfs/dbraw/zinc/17/40/33/546174033.db2.gz ZJIQVFADMFVMIA-UHFFFAOYSA-N -1 3 323.400 2.647 20 30 DFEDHM Cc1cc(C)cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000737253073 598914005 /nfs/dbraw/zinc/91/40/05/598914005.db2.gz PJJPBMHLBJNMIJ-UHFFFAOYSA-N -1 3 318.340 2.608 20 30 DFEDHM Cc1cc(C)cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000737253073 598914006 /nfs/dbraw/zinc/91/40/06/598914006.db2.gz PJJPBMHLBJNMIJ-UHFFFAOYSA-N -1 3 318.340 2.608 20 30 DFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1sccc1C ZINC000819773968 607253096 /nfs/dbraw/zinc/25/30/96/607253096.db2.gz YWDSKIGSUDNHBB-UHFFFAOYSA-N -1 3 312.402 2.750 20 30 DFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1sccc1C ZINC000819773968 607253097 /nfs/dbraw/zinc/25/30/97/607253097.db2.gz YWDSKIGSUDNHBB-UHFFFAOYSA-N -1 3 312.402 2.750 20 30 DFEDHM Cc1c(C#N)cccc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822015320 607256368 /nfs/dbraw/zinc/25/63/68/607256368.db2.gz IISGGGZJWRNVBP-UHFFFAOYSA-N -1 3 320.356 2.538 20 30 DFEDHM Cc1c(NCc2cc(C#N)ccc2F)cccc1-c1nnn[n-]1 ZINC000822121768 607256732 /nfs/dbraw/zinc/25/67/32/607256732.db2.gz GOWYCVSQZDSWOV-UHFFFAOYSA-N -1 3 308.320 2.798 20 30 DFEDHM Cc1c(NCc2cc(C#N)ccc2F)cccc1-c1nn[n-]n1 ZINC000822121768 607256733 /nfs/dbraw/zinc/25/67/33/607256733.db2.gz GOWYCVSQZDSWOV-UHFFFAOYSA-N -1 3 308.320 2.798 20 30 DFEDHM COc1ccc(C=NNc2cccc(C)c2)cc1-c1nnn[n-]1 ZINC000737083307 599127179 /nfs/dbraw/zinc/12/71/79/599127179.db2.gz PNLKMNNKXXWKHK-UHFFFAOYSA-N -1 3 308.345 2.630 20 30 DFEDHM COc1ccc(C=NNc2cccc(C)c2)cc1-c1nn[n-]n1 ZINC000737083307 599127182 /nfs/dbraw/zinc/12/71/82/599127182.db2.gz PNLKMNNKXXWKHK-UHFFFAOYSA-N -1 3 308.345 2.630 20 30 DFEDHM COc1ccc(C=C2Cc3ccccc3C2=O)cc1-c1nnn[n-]1 ZINC000737085132 599150860 /nfs/dbraw/zinc/15/08/60/599150860.db2.gz YSBJRBTXJSKZRT-JYRVWZFOSA-N -1 3 318.336 2.698 20 30 DFEDHM COc1ccc(C=C2Cc3ccccc3C2=O)cc1-c1nn[n-]n1 ZINC000737085132 599150863 /nfs/dbraw/zinc/15/08/63/599150863.db2.gz YSBJRBTXJSKZRT-JYRVWZFOSA-N -1 3 318.336 2.698 20 30 DFEDHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736259379 599198855 /nfs/dbraw/zinc/19/88/55/599198855.db2.gz DWWDLNVWYSAGGW-VXGBXAGGSA-N -1 3 324.388 2.893 20 30 DFEDHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736259379 599198858 /nfs/dbraw/zinc/19/88/58/599198858.db2.gz DWWDLNVWYSAGGW-VXGBXAGGSA-N -1 3 324.388 2.893 20 30 DFEDHM C#CCOc1cccc(OCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000735387978 598417639 /nfs/dbraw/zinc/41/76/39/598417639.db2.gz NEAXRWXSUCTMSW-UHFFFAOYSA-N -1 3 324.315 2.597 20 30 DFEDHM C#CCOc1cccc(OCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735387978 598417640 /nfs/dbraw/zinc/41/76/40/598417640.db2.gz NEAXRWXSUCTMSW-UHFFFAOYSA-N -1 3 324.315 2.597 20 30 DFEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC000737371315 598492553 /nfs/dbraw/zinc/49/25/53/598492553.db2.gz BNFZLYDYWWCFKK-DHDCSXOGSA-N -1 3 302.337 2.998 20 30 DFEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000737371315 598492555 /nfs/dbraw/zinc/49/25/55/598492555.db2.gz BNFZLYDYWWCFKK-DHDCSXOGSA-N -1 3 302.337 2.998 20 30 DFEDHM N#Cc1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)cc1F ZINC000737721310 598550998 /nfs/dbraw/zinc/55/09/98/598550998.db2.gz IMRGYVFUFWRQOA-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM N#Cc1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)cc1F ZINC000737721310 598550999 /nfs/dbraw/zinc/55/09/99/598550999.db2.gz IMRGYVFUFWRQOA-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM O=C1c2cc(F)ccc2OCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738289983 598585663 /nfs/dbraw/zinc/58/56/63/598585663.db2.gz LMOPDGNVCAJWKP-GHXNOFRVSA-N -1 3 322.299 2.665 20 30 DFEDHM O=C1c2cc(F)ccc2OCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738289983 598585664 /nfs/dbraw/zinc/58/56/64/598585664.db2.gz LMOPDGNVCAJWKP-GHXNOFRVSA-N -1 3 322.299 2.665 20 30 DFEDHM Cc1cccc2c1CC(=Cc1ccc(-c3nnn[n-]3)cc1)C2=O ZINC000737408059 598788027 /nfs/dbraw/zinc/78/80/27/598788027.db2.gz DVWPHPLJGDDNGG-NTEUORMPSA-N -1 3 302.337 2.998 20 30 DFEDHM Cc1cccc2c1CC(=Cc1ccc(-c3nn[n-]n3)cc1)C2=O ZINC000737408059 598788029 /nfs/dbraw/zinc/78/80/29/598788029.db2.gz DVWPHPLJGDDNGG-NTEUORMPSA-N -1 3 302.337 2.998 20 30 DFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)C(C)C ZINC000735418962 598802893 /nfs/dbraw/zinc/80/28/93/598802893.db2.gz MXHJBPBVWWPQQN-ZDUSSCGKSA-N -1 3 313.405 2.673 20 30 DFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)C(C)C ZINC000735418962 598802896 /nfs/dbraw/zinc/80/28/96/598802896.db2.gz MXHJBPBVWWPQQN-ZDUSSCGKSA-N -1 3 313.405 2.673 20 30 DFEDHM Fc1ccc(N=NC2CCCc3cc(-c4nn[n-]n4)ccc32)nc1 ZINC000822782769 599339717 /nfs/dbraw/zinc/33/97/17/599339717.db2.gz GDIZEJPTKXRQCQ-UHFFFAOYSA-N -1 3 323.335 2.553 20 30 DFEDHM Cc1ccc(N=NC2CCCc3cc(-c4nn[n-]n4)ccc32)nc1 ZINC000822259020 599340432 /nfs/dbraw/zinc/34/04/32/599340432.db2.gz JTXOPSPFXLWMNO-UHFFFAOYSA-N -1 3 319.372 2.723 20 30 DFEDHM COc1cccc(O)c1C=N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821872416 599397293 /nfs/dbraw/zinc/39/72/93/599397293.db2.gz MBLHFHNURNYEEQ-HPAYWCODSA-N -1 3 323.356 2.761 20 30 DFEDHM COc1cccc(C=N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1O ZINC000821862510 599400271 /nfs/dbraw/zinc/40/02/71/599400271.db2.gz COQBGJANWNUROR-IPHDDYSGSA-N -1 3 323.356 2.761 20 30 DFEDHM COc1cccc(C=N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1O ZINC000821862510 599400272 /nfs/dbraw/zinc/40/02/72/599400272.db2.gz COQBGJANWNUROR-IPHDDYSGSA-N -1 3 323.356 2.761 20 30 DFEDHM N#CC1CCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1 ZINC000737678156 599523302 /nfs/dbraw/zinc/52/33/02/599523302.db2.gz HDTVVDYBTFOPES-UHFFFAOYSA-N -1 3 322.294 2.625 20 30 DFEDHM C=CCN(C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000819739689 599680572 /nfs/dbraw/zinc/68/05/72/599680572.db2.gz DGDKPOUTORTPSM-GFCCVEGCSA-N -1 3 314.393 2.534 20 30 DFEDHM C=CCN(C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000819739689 599680573 /nfs/dbraw/zinc/68/05/73/599680573.db2.gz DGDKPOUTORTPSM-GFCCVEGCSA-N -1 3 314.393 2.534 20 30 DFEDHM CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCCN(C(=O)[O-])C2)c([O-])c1 ZINC000737088161 599801083 /nfs/dbraw/zinc/80/10/83/599801083.db2.gz HAUXBHKKJDYNBT-XWAFYUISSA-N -1 3 319.405 2.800 20 30 DFEDHM Fc1ccccc1NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822740979 607463988 /nfs/dbraw/zinc/46/39/88/607463988.db2.gz POWKAEWRERGSDL-UHFFFAOYSA-N -1 3 300.272 2.591 20 30 DFEDHM Fc1ccccc1NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822740979 607463989 /nfs/dbraw/zinc/46/39/89/607463989.db2.gz POWKAEWRERGSDL-UHFFFAOYSA-N -1 3 300.272 2.591 20 30 DFEDHM C[C@@H](NCc1cccc(OCC(=O)[O-])c1)c1ccc(C#N)cc1 ZINC000827741803 600750254 /nfs/dbraw/zinc/75/02/54/600750254.db2.gz TZBRKBPIMZZDIW-CYBMUJFWSA-N -1 3 310.353 2.872 20 30 DFEDHM C=CCN(Cc1nccs1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914618 607490094 /nfs/dbraw/zinc/49/00/94/607490094.db2.gz JUBJBIUEODCACI-UHFFFAOYSA-N -1 3 312.402 2.511 20 30 DFEDHM C=CCN(Cc1nccs1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914618 607490095 /nfs/dbraw/zinc/49/00/95/607490095.db2.gz JUBJBIUEODCACI-UHFFFAOYSA-N -1 3 312.402 2.511 20 30 DFEDHM COCc1ccccc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000831821739 601299685 /nfs/dbraw/zinc/29/96/85/601299685.db2.gz FKYZGXZJTGARJA-QGZVFWFLSA-N -1 3 310.353 2.620 20 30 DFEDHM COc1ccc([C@H](NCc2ccc(F)c(C#N)c2)C(=O)[O-])cc1 ZINC000832252530 602237562 /nfs/dbraw/zinc/23/75/62/602237562.db2.gz OYUUHBDYDKDKQV-INIZCTEOSA-N -1 3 314.316 2.621 20 30 DFEDHM CN(CC(=O)C(C#N)c1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000739616157 602622266 /nfs/dbraw/zinc/62/22/66/602622266.db2.gz BJTIBYYPQINSKF-LLVKDONJSA-N -1 3 315.354 2.596 20 30 DFEDHM N#Cc1ccc([C@H](NCc2ccc3c(c2)COC3)C(=O)[O-])cc1 ZINC000833072460 604400798 /nfs/dbraw/zinc/40/07/98/604400798.db2.gz MRZCEGRADWGFAR-KRWDZBQOSA-N -1 3 308.337 2.504 20 30 DFEDHM C[C@H](Oc1ccc(CNCc2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000833542344 605276551 /nfs/dbraw/zinc/27/65/51/605276551.db2.gz URLPZKSJBAXJIN-ZDUSSCGKSA-N -1 3 310.353 2.700 20 30 DFEDHM CC(C)(C#N)c1ccccc1CN1CCC[C@H]1CNC(=O)[O-] ZINC000823736851 605278571 /nfs/dbraw/zinc/27/85/71/605278571.db2.gz BJTAMQCTDOAYKD-AWEZNQCLSA-N -1 3 301.390 2.720 20 30 DFEDHM C=CCC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccccc1 ZINC000823894533 607754850 /nfs/dbraw/zinc/75/48/50/607754850.db2.gz SJPCIWCFBHUTJN-CYBMUJFWSA-N -1 3 322.372 2.632 20 30 DFEDHM C=CCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccccc1 ZINC000823894533 607754851 /nfs/dbraw/zinc/75/48/51/607754851.db2.gz SJPCIWCFBHUTJN-CYBMUJFWSA-N -1 3 322.372 2.632 20 30 DFEDHM C#CCCOc1ccc(CN2CCC(N(C)C(=O)[O-])CC2)cc1 ZINC000833787207 605591928 /nfs/dbraw/zinc/59/19/28/605591928.db2.gz JEUBPQHDJJIRSZ-UHFFFAOYSA-N -1 3 316.401 2.663 20 30 DFEDHM N#CCCCOc1cccc(CN2CCC[C@@H]2CNC(=O)[O-])c1 ZINC000833965274 605615417 /nfs/dbraw/zinc/61/54/17/605615417.db2.gz HARYDASHHRFCIO-OAHLLOKOSA-N -1 3 317.389 2.601 20 30 DFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc2c(c1)CCO2 ZINC000822923479 606389739 /nfs/dbraw/zinc/38/97/39/606389739.db2.gz SJVQEFVENXNIFD-DUXPYHPUSA-N -1 3 324.365 2.759 20 30 DFEDHM Cc1ncsc1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822482520 606390939 /nfs/dbraw/zinc/39/09/39/606390939.db2.gz UHBYZBPNZNHGLB-DUXPYHPUSA-N -1 3 303.372 2.589 20 30 DFEDHM Cc1ncsc1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822482521 606391039 /nfs/dbraw/zinc/39/10/39/606391039.db2.gz UHBYZBPNZNHGLB-RQOWECAXSA-N -1 3 303.372 2.589 20 30 DFEDHM c1ccc2c(c1)OCC[C@H]2CN=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000819718451 606460732 /nfs/dbraw/zinc/46/07/32/606460732.db2.gz HPSTYTKBDSTUAH-ZDUSSCGKSA-N -1 3 320.356 2.831 20 30 DFEDHM c1ccc2c(c1)OCC[C@H]2CN=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000819718451 606460734 /nfs/dbraw/zinc/46/07/34/606460734.db2.gz HPSTYTKBDSTUAH-ZDUSSCGKSA-N -1 3 320.356 2.831 20 30 DFEDHM CC1(C)CC(N=Nc2ccc(-c3nnn[n-]3)cc2)C(C)(C)O1 ZINC000820582788 606701661 /nfs/dbraw/zinc/70/16/61/606701661.db2.gz ACXWOOKWRQCOND-UHFFFAOYSA-N -1 3 300.366 2.612 20 30 DFEDHM CC1(C)CC(N=Nc2ccc(-c3nn[n-]n3)cc2)C(C)(C)O1 ZINC000820582788 606701662 /nfs/dbraw/zinc/70/16/62/606701662.db2.gz ACXWOOKWRQCOND-UHFFFAOYSA-N -1 3 300.366 2.612 20 30 DFEDHM CCCC(C#N)(CCC)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821008689 606820412 /nfs/dbraw/zinc/82/04/12/606820412.db2.gz JZGDTDWYBVNYJE-UHFFFAOYSA-N -1 3 318.406 2.521 20 30 DFEDHM CCCC(C#N)(CCC)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821008689 606820413 /nfs/dbraw/zinc/82/04/13/606820413.db2.gz JZGDTDWYBVNYJE-UHFFFAOYSA-N -1 3 318.406 2.521 20 30 DFEDHM CC1(C)CCCC(=Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1=O ZINC000820589848 606860200 /nfs/dbraw/zinc/86/02/00/606860200.db2.gz NOYWLCQGQOLFMO-DHZHZOJOSA-N -1 3 322.372 2.677 20 30 DFEDHM CC1(C)CCCC(=Cc2cnc3ccc(-c4nn[n-]n4)cn23)C1=O ZINC000820589848 606860201 /nfs/dbraw/zinc/86/02/01/606860201.db2.gz NOYWLCQGQOLFMO-DHZHZOJOSA-N -1 3 322.372 2.677 20 30 DFEDHM Cc1ccc(C#N)cc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822225234 606929911 /nfs/dbraw/zinc/92/99/11/606929911.db2.gz UILMMMXPCHCABA-UHFFFAOYSA-N -1 3 308.320 2.798 20 30 DFEDHM Cc1ccc(C#N)cc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822225234 606929912 /nfs/dbraw/zinc/92/99/12/606929912.db2.gz UILMMMXPCHCABA-UHFFFAOYSA-N -1 3 308.320 2.798 20 30 DFEDHM Clc1ccc(CNN=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822574673 606991136 /nfs/dbraw/zinc/99/11/36/606991136.db2.gz XKBAKYDNMUMVRW-UHFFFAOYSA-N -1 3 318.793 2.705 20 30 DFEDHM N#Cc1nc(Oc2ccc(-c3nnn[n-]3)cc2F)ccc1Cl ZINC000822846131 607129337 /nfs/dbraw/zinc/12/93/37/607129337.db2.gz PIXXNKMRXQBWBN-UHFFFAOYSA-N -1 3 316.683 2.718 20 30 DFEDHM N#Cc1nc(Oc2ccc(-c3nn[n-]n3)cc2F)ccc1Cl ZINC000822846131 607129338 /nfs/dbraw/zinc/12/93/38/607129338.db2.gz PIXXNKMRXQBWBN-UHFFFAOYSA-N -1 3 316.683 2.718 20 30 DFEDHM N#Cc1ccc(COc2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000822825929 607138896 /nfs/dbraw/zinc/13/88/96/607138896.db2.gz QWGTUULIVVRLNE-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM N#Cc1ccc(COc2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000822825929 607138898 /nfs/dbraw/zinc/13/88/98/607138898.db2.gz QWGTUULIVVRLNE-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM COc1cccc(C=Nc2cccc(-c3nnn[n-]3)c2C)c1O ZINC000821862377 607251292 /nfs/dbraw/zinc/25/12/92/607251292.db2.gz AENXTLYPIBAEJP-UHFFFAOYSA-N -1 3 309.329 2.640 20 30 DFEDHM COc1cccc(C=Nc2cccc(-c3nn[n-]n3)c2C)c1O ZINC000821862377 607251293 /nfs/dbraw/zinc/25/12/93/607251293.db2.gz AENXTLYPIBAEJP-UHFFFAOYSA-N -1 3 309.329 2.640 20 30 DFEDHM CCCCCCCCNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825271431 607854481 /nfs/dbraw/zinc/85/44/81/607854481.db2.gz JPDCHXLHARAKSK-UHFFFAOYSA-N -1 3 315.421 2.886 20 30 DFEDHM CCCCCCCCNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825271431 607854482 /nfs/dbraw/zinc/85/44/82/607854482.db2.gz JPDCHXLHARAKSK-UHFFFAOYSA-N -1 3 315.421 2.886 20 30 DFEDHM COc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1F ZINC000826187537 607884204 /nfs/dbraw/zinc/88/42/04/607884204.db2.gz VJNPHVCOKNSEPA-VURMDHGXSA-N -1 3 324.315 2.911 20 30 DFEDHM COc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1F ZINC000826187537 607884205 /nfs/dbraw/zinc/88/42/05/607884205.db2.gz VJNPHVCOKNSEPA-VURMDHGXSA-N -1 3 324.315 2.911 20 30 DFEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000823861964 607889731 /nfs/dbraw/zinc/88/97/31/607889731.db2.gz VFGZLIQXTKSBCM-IRXDYDNUSA-N -1 3 318.384 2.746 20 30 DFEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000823861964 607889732 /nfs/dbraw/zinc/88/97/32/607889732.db2.gz VFGZLIQXTKSBCM-IRXDYDNUSA-N -1 3 318.384 2.746 20 30 DFEDHM CC1(C)CCC[C@H](C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1 ZINC000824802713 607926240 /nfs/dbraw/zinc/92/62/40/607926240.db2.gz ONOPUZNMZZUKEC-NSHDSACASA-N -1 3 324.388 2.893 20 30 DFEDHM CC1(C)CCC[C@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1 ZINC000824802713 607926241 /nfs/dbraw/zinc/92/62/41/607926241.db2.gz ONOPUZNMZZUKEC-NSHDSACASA-N -1 3 324.388 2.893 20 30 DFEDHM C=CCN(C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000823903515 608257676 /nfs/dbraw/zinc/25/76/76/608257676.db2.gz CGOWKXKWDFHWBK-UHFFFAOYSA-N -1 3 318.768 2.702 20 30 DFEDHM C=CCN(C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000823903515 608257677 /nfs/dbraw/zinc/25/76/77/608257677.db2.gz CGOWKXKWDFHWBK-UHFFFAOYSA-N -1 3 318.768 2.702 20 30 DFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC=CCc2ccco2)n1 ZINC000826350463 608539836 /nfs/dbraw/zinc/53/98/36/608539836.db2.gz XCJDYSALODUQBI-YPYHXCMGSA-N -1 3 315.724 2.619 20 30 DFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC=CCc2ccco2)n1 ZINC000826350463 608539837 /nfs/dbraw/zinc/53/98/37/608539837.db2.gz XCJDYSALODUQBI-YPYHXCMGSA-N -1 3 315.724 2.619 20 30 DFEDHM CC1(C)CCCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824803024 608540565 /nfs/dbraw/zinc/54/05/65/608540565.db2.gz RLFJOYTXYHHVDX-UHFFFAOYSA-N -1 3 305.773 2.893 20 30 DFEDHM CC1(C)CCCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824803024 608540566 /nfs/dbraw/zinc/54/05/66/608540566.db2.gz RLFJOYTXYHHVDX-UHFFFAOYSA-N -1 3 305.773 2.893 20 30 DFEDHM Cc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000826285996 608542800 /nfs/dbraw/zinc/54/28/00/608542800.db2.gz POZZNMWTDJLHEQ-UHFFFAOYSA-N -1 3 313.752 2.670 20 30 DFEDHM Cc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000826285996 608542802 /nfs/dbraw/zinc/54/28/02/608542802.db2.gz POZZNMWTDJLHEQ-UHFFFAOYSA-N -1 3 313.752 2.670 20 30 DFEDHM O=C1c2ccc(F)cc2CC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475570 608881258 /nfs/dbraw/zinc/88/12/58/608881258.db2.gz KFALUZPVOBFZTP-WZUFQYTHSA-N -1 3 324.290 2.967 20 30 DFEDHM O=C1c2ccc(F)cc2CC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475570 608881262 /nfs/dbraw/zinc/88/12/62/608881262.db2.gz KFALUZPVOBFZTP-WZUFQYTHSA-N -1 3 324.290 2.967 20 30 DFEDHM N#Cc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1F ZINC000826384486 609134252 /nfs/dbraw/zinc/13/42/52/609134252.db2.gz XKWWLSCUAQXCTL-FPLPWBNLSA-N -1 3 319.299 2.774 20 30 DFEDHM N#Cc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1F ZINC000826384486 609134254 /nfs/dbraw/zinc/13/42/54/609134254.db2.gz XKWWLSCUAQXCTL-FPLPWBNLSA-N -1 3 319.299 2.774 20 30 DFEDHM CC(=NOCc1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823963216 609159823 /nfs/dbraw/zinc/15/98/23/609159823.db2.gz 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SPGOQUITFHVXBU-UHFFFAOYSA-N -1 3 312.333 2.565 20 30 DFEDHM CC(C)n1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000735959852 598761241 /nfs/dbraw/zinc/76/12/41/598761241.db2.gz DARAAYZBVBCAOM-SREVYHEPSA-N -1 3 308.345 2.540 20 30 DFEDHM CC(C)n1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000735959852 598761242 /nfs/dbraw/zinc/76/12/42/598761242.db2.gz DARAAYZBVBCAOM-SREVYHEPSA-N -1 3 308.345 2.540 20 30 DFEDHM Cc1cccc2c1CC(=Cc1cccc(-c3nnn[n-]3)c1)C2=O ZINC000737411466 598787859 /nfs/dbraw/zinc/78/78/59/598787859.db2.gz ZCODWQLDUIZINX-ZROIWOOFSA-N -1 3 302.337 2.998 20 30 DFEDHM Cc1cccc2c1CC(=Cc1cccc(-c3nn[n-]n3)c1)C2=O ZINC000737411466 598787861 /nfs/dbraw/zinc/78/78/61/598787861.db2.gz ZCODWQLDUIZINX-ZROIWOOFSA-N -1 3 302.337 2.998 20 30 DFEDHM C#CCOc1cc(F)ccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735381635 599329187 /nfs/dbraw/zinc/32/91/87/599329187.db2.gz XHPPWOSWAGEUGZ-UHFFFAOYSA-N -1 3 323.331 2.630 20 30 DFEDHM C#CCOc1cc(F)ccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735381635 599329189 /nfs/dbraw/zinc/32/91/89/599329189.db2.gz XHPPWOSWAGEUGZ-UHFFFAOYSA-N -1 3 323.331 2.630 20 30 DFEDHM O=C1c2ccccc2CC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823504932 607455360 /nfs/dbraw/zinc/45/53/60/607455360.db2.gz VSXHJHZNPURHQO-JYRVWZFOSA-N -1 3 306.300 2.828 20 30 DFEDHM O=C1c2ccccc2CC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823504932 607455361 /nfs/dbraw/zinc/45/53/61/607455361.db2.gz VSXHJHZNPURHQO-JYRVWZFOSA-N -1 3 306.300 2.828 20 30 DFEDHM N#Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000822825627 607455530 /nfs/dbraw/zinc/45/55/30/607455530.db2.gz JDJGMQSNGCIYOJ-BQYQJAHWSA-N -1 3 319.299 2.774 20 30 DFEDHM N#Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000822825627 607455531 /nfs/dbraw/zinc/45/55/31/607455531.db2.gz JDJGMQSNGCIYOJ-BQYQJAHWSA-N -1 3 319.299 2.774 20 30 DFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cccc(O)c1 ZINC000822924119 607456943 /nfs/dbraw/zinc/45/69/43/607456943.db2.gz XWHWNXKNLJCLRR-SREVYHEPSA-N -1 3 310.288 2.608 20 30 DFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cccc(O)c1 ZINC000822924119 607456945 /nfs/dbraw/zinc/45/69/45/607456945.db2.gz XWHWNXKNLJCLRR-SREVYHEPSA-N -1 3 310.288 2.608 20 30 DFEDHM C[C@@H](NN=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000820437733 607464660 /nfs/dbraw/zinc/46/46/60/607464660.db2.gz BSODYXZLGAESTR-LLVKDONJSA-N -1 3 310.336 2.691 20 30 DFEDHM C[C@@H](NN=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820437733 607464662 /nfs/dbraw/zinc/46/46/62/607464662.db2.gz BSODYXZLGAESTR-LLVKDONJSA-N -1 3 310.336 2.691 20 30 DFEDHM COc1cc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1C ZINC000831999933 601302164 /nfs/dbraw/zinc/30/21/64/601302164.db2.gz DNOMHUSUVZJKJQ-KRWDZBQOSA-N -1 3 310.353 2.791 20 30 DFEDHM COc1ccc(COc2cc(C#N)ccc2C)cc1-c1nnn[n-]1 ZINC000826206591 607551019 /nfs/dbraw/zinc/55/10/19/607551019.db2.gz CCAVRUBHMDZNTL-UHFFFAOYSA-N -1 3 321.340 2.634 20 30 DFEDHM COc1ccc(COc2cc(C#N)ccc2C)cc1-c1nn[n-]n1 ZINC000826206591 607551020 /nfs/dbraw/zinc/55/10/20/607551020.db2.gz CCAVRUBHMDZNTL-UHFFFAOYSA-N -1 3 321.340 2.634 20 30 DFEDHM CCN(CC)c1ccc(/C=[NH+]/C[C@@H](NC(=O)[O-])C(C)C)c([O-])c1 ZINC000739410928 603396390 /nfs/dbraw/zinc/39/63/90/603396390.db2.gz GOOCOEVDXPHBDJ-BFERYNQYSA-N -1 3 321.421 2.950 20 30 DFEDHM N#Cc1csc(CNCc2ccc(CCNC(=O)[O-])cc2)c1 ZINC000831161920 603768712 /nfs/dbraw/zinc/76/87/12/603768712.db2.gz QFLSYXCXPYWDIS-UHFFFAOYSA-N -1 3 315.398 2.720 20 30 DFEDHM N#CC(C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1ccc2ccccc2n1 ZINC000831064220 604215107 /nfs/dbraw/zinc/21/51/07/604215107.db2.gz CXLQVCWKORBJGC-MCIONIFRSA-N -1 3 323.352 2.847 20 30 DFEDHM C=CCOCCN[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833376108 605068229 /nfs/dbraw/zinc/06/82/29/605068229.db2.gz UELFTIUHDLHQFQ-LBPRGKRZSA-N -1 3 304.173 2.911 20 30 DFEDHM CC1=C(C(=O)[O-])C[C@H](CN2CC=C(c3ccc(C#N)cc3)CC2)O1 ZINC000833585147 605378837 /nfs/dbraw/zinc/37/88/37/605378837.db2.gz UVZXXNLQSMBRCR-QGZVFWFLSA-N -1 3 324.380 2.795 20 30 DFEDHM N#Cc1cc(CN2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@@H]3C2)ccc1F ZINC000833970775 605442985 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C=CCC[C@@H](O)CN(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819734332 606746256 /nfs/dbraw/zinc/74/62/56/606746256.db2.gz MDSKEONVNZCXAS-MRXNPFEDSA-N -1 3 315.421 2.656 20 30 DFEDHM N#Cc1ccc(Cl)cc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000822825344 606785268 /nfs/dbraw/zinc/78/52/68/606785268.db2.gz BPOMAZQEDVLTHT-UHFFFAOYSA-N -1 3 311.732 2.971 20 30 DFEDHM N#Cc1ccc(Cl)cc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000822825344 606785270 /nfs/dbraw/zinc/78/52/70/606785270.db2.gz BPOMAZQEDVLTHT-UHFFFAOYSA-N -1 3 311.732 2.971 20 30 DFEDHM Cc1ccc(-c2nnn[n-]2)cc1OCCOc1ccccc1C#N ZINC000822221232 607041739 /nfs/dbraw/zinc/04/17/39/607041739.db2.gz GLUWPVJDVKIZGY-UHFFFAOYSA-N -1 3 321.340 2.505 20 30 DFEDHM Cc1ccc(-c2nn[n-]n2)cc1OCCOc1ccccc1C#N ZINC000822221232 607041741 /nfs/dbraw/zinc/04/17/41/607041741.db2.gz GLUWPVJDVKIZGY-UHFFFAOYSA-N -1 3 321.340 2.505 20 30 DFEDHM COc1ccc(O)c(C=Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821838049 607251275 /nfs/dbraw/zinc/25/12/75/607251275.db2.gz JRSVBIMIVNGHLJ-UHFFFAOYSA-N -1 3 309.329 2.640 20 30 DFEDHM COc1ccc(O)c(C=Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821838049 607251276 /nfs/dbraw/zinc/25/12/76/607251276.db2.gz JRSVBIMIVNGHLJ-UHFFFAOYSA-N -1 3 309.329 2.640 20 30 DFEDHM C=CCC[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)C1CC1 ZINC000823893916 607779920 /nfs/dbraw/zinc/77/99/20/607779920.db2.gz BDJDCJAJGFAIMI-NSHDSACASA-N -1 3 304.375 2.830 20 30 DFEDHM C=CCC[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)C1CC1 ZINC000823893916 607779921 /nfs/dbraw/zinc/77/99/21/607779921.db2.gz BDJDCJAJGFAIMI-NSHDSACASA-N -1 3 304.375 2.830 20 30 DFEDHM N#Cc1c(F)cccc1Oc1ncc(-c2nnn[n-]2)cc1Cl ZINC000826383764 607867357 /nfs/dbraw/zinc/86/73/57/607867357.db2.gz PDPCEYKYORXIAQ-UHFFFAOYSA-N -1 3 316.683 2.718 20 30 DFEDHM N#Cc1c(F)cccc1Oc1ncc(-c2nn[n-]n2)cc1Cl ZINC000826383764 607867358 /nfs/dbraw/zinc/86/73/58/607867358.db2.gz PDPCEYKYORXIAQ-UHFFFAOYSA-N -1 3 316.683 2.718 20 30 DFEDHM CC(C)(C)CN(CCC#N)c1cccc(F)c1-c1nnn[n-]1 ZINC000824086553 607987002 /nfs/dbraw/zinc/98/70/02/607987002.db2.gz 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/nfs/dbraw/zinc/67/28/09/608672809.db2.gz MSZQVVAMDWXYHJ-UHFFFAOYSA-N -1 3 312.333 2.565 20 30 DFEDHM N#Cc1cccc(CSc2cc(-c3nn[n-]n3)ccn2)c1F ZINC000826386637 608672810 /nfs/dbraw/zinc/67/28/10/608672810.db2.gz MSZQVVAMDWXYHJ-UHFFFAOYSA-N -1 3 312.333 2.565 20 30 DFEDHM CC(C)(C)CN(CCC#N)Cc1ccc(-c2nnn[n-]2)s1 ZINC000824085093 608679772 /nfs/dbraw/zinc/67/97/72/608679772.db2.gz AVPBQVAOGFPCNW-UHFFFAOYSA-N -1 3 304.423 2.690 20 30 DFEDHM CC(C)(C)CN(CCC#N)Cc1ccc(-c2nn[n-]n2)s1 ZINC000824085093 608679774 /nfs/dbraw/zinc/67/97/74/608679774.db2.gz AVPBQVAOGFPCNW-UHFFFAOYSA-N -1 3 304.423 2.690 20 30 DFEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cccs1 ZINC000826401370 608874718 /nfs/dbraw/zinc/87/47/18/608874718.db2.gz WOUVNSSUBQCEKE-GQCTYLIASA-N -1 3 300.318 2.963 20 30 DFEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cccs1 ZINC000826401370 608874721 /nfs/dbraw/zinc/87/47/21/608874721.db2.gz WOUVNSSUBQCEKE-GQCTYLIASA-N -1 3 300.318 2.963 20 30 DFEDHM Cc1ncsc1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826331488 608876926 /nfs/dbraw/zinc/87/69/26/608876926.db2.gz KPXBVAWCSDTAQH-HYXAFXHYSA-N -1 3 315.333 2.667 20 30 DFEDHM Cc1ncsc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826331488 608876930 /nfs/dbraw/zinc/87/69/30/608876930.db2.gz KPXBVAWCSDTAQH-HYXAFXHYSA-N -1 3 315.333 2.667 20 30 DFEDHM CC(=NNc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823962427 609159531 /nfs/dbraw/zinc/15/95/31/609159531.db2.gz KJGMEIGDQWHNSE-UHFFFAOYSA-N -1 3 321.319 2.714 20 30 DFEDHM CC(=NNc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962427 609159533 /nfs/dbraw/zinc/15/95/33/609159533.db2.gz KJGMEIGDQWHNSE-UHFFFAOYSA-N -1 3 321.319 2.714 20 30 DFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)c(F)c1 ZINC000823958634 609159835 /nfs/dbraw/zinc/15/98/35/609159835.db2.gz UFDHVMSQVCIFCF-UHFFFAOYSA-N -1 3 321.319 2.714 20 30 DFEDHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1ccccc1C#N ZINC000825481280 609178215 /nfs/dbraw/zinc/17/82/15/609178215.db2.gz VUDWOIOGTAGIRL-UHFFFAOYSA-N -1 3 319.372 2.782 20 30 DFEDHM 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607854432 /nfs/dbraw/zinc/85/44/32/607854432.db2.gz MJAFIRCTMLXIFH-UHFFFAOYSA-N -1 3 301.394 2.957 20 30 DFEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1cccc2[nH]ccc21 ZINC000823868330 607885115 /nfs/dbraw/zinc/88/51/15/607885115.db2.gz WJEDGYMDYHNLSV-UHFFFAOYSA-N -1 3 303.329 2.794 20 30 DFEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1cccc2[nH]ccc21 ZINC000823868330 607885116 /nfs/dbraw/zinc/88/51/16/607885116.db2.gz WJEDGYMDYHNLSV-UHFFFAOYSA-N -1 3 303.329 2.794 20 30 DFEDHM CC(=NNc1cccc(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823962823 608094766 /nfs/dbraw/zinc/09/47/66/608094766.db2.gz PPKDYHIUBVUXNR-UHFFFAOYSA-N -1 3 302.338 2.903 20 30 DFEDHM CCC[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)C(C)C ZINC000825224829 608158034 /nfs/dbraw/zinc/15/80/34/608158034.db2.gz CSVHHYBODINEJF-ZDUSSCGKSA-N -1 3 312.377 2.749 20 30 DFEDHM CCC[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)C(C)C ZINC000825224829 608158035 /nfs/dbraw/zinc/15/80/35/608158035.db2.gz CSVHHYBODINEJF-ZDUSSCGKSA-N -1 3 312.377 2.749 20 30 DFEDHM 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2.893 20 30 DFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCC2CCCCC2)n1 ZINC000826350464 608537910 /nfs/dbraw/zinc/53/79/10/608537910.db2.gz XCJTYKYEEHTAMG-UHFFFAOYSA-N -1 3 305.773 2.893 20 30 DFEDHM CCC(CC)CN(CCC#N)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825106524 608680144 /nfs/dbraw/zinc/68/01/44/608680144.db2.gz FQUISARCZMMSGI-UHFFFAOYSA-N -1 3 302.382 2.612 20 30 DFEDHM CCC(CC)CN(CCC#N)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825106524 608680146 /nfs/dbraw/zinc/68/01/46/608680146.db2.gz FQUISARCZMMSGI-UHFFFAOYSA-N -1 3 302.382 2.612 20 30 DFEDHM COc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826218814 609134200 /nfs/dbraw/zinc/13/42/00/609134200.db2.gz LKFGRCMXTGSSSL-CLFYSBASSA-N -1 3 324.315 2.911 20 30 DFEDHM COc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826218814 609134201 /nfs/dbraw/zinc/13/42/01/609134201.db2.gz LKFGRCMXTGSSSL-CLFYSBASSA-N -1 3 324.315 2.911 20 30 DFEDHM C=C(CC)CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000823877922 609278322 /nfs/dbraw/zinc/27/83/22/609278322.db2.gz 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ZINC000068423401 398502283 /nfs/dbraw/zinc/50/22/83/398502283.db2.gz NYAGGNKOBOKXSG-UHFFFAOYSA-N -1 3 313.283 2.544 20 30 DFEDHM Cc1cc(C)c(C[N-]S(=O)(=O)c2ccc(C#N)o2)c(C)c1 ZINC000286833213 219188252 /nfs/dbraw/zinc/18/82/52/219188252.db2.gz JSZKHKMQBHUERC-UHFFFAOYSA-N -1 3 304.371 2.555 20 30 DFEDHM CC(=O)Nc1cccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1 ZINC000041573980 398569067 /nfs/dbraw/zinc/56/90/67/398569067.db2.gz JNMROKMGOFVKGP-HNNXBMFYSA-N -1 3 308.341 2.542 20 30 DFEDHM COc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1ccccn1 ZINC000041493226 398569392 /nfs/dbraw/zinc/56/93/92/398569392.db2.gz IZTBDNAFYFTVOF-AWEZNQCLSA-N -1 3 318.336 2.766 20 30 DFEDHM N#CCN1CCN(Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000092936224 398608326 /nfs/dbraw/zinc/60/83/26/398608326.db2.gz GGLQVCPPWOEWMT-UHFFFAOYSA-N -1 3 307.397 2.700 20 30 DFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000593556138 398655616 /nfs/dbraw/zinc/65/56/16/398655616.db2.gz KOAJOURVLKSPGB-IJLUTSLNSA-N -1 3 310.444 2.867 20 30 DFEDHM Cc1cccc(C)c1CC[N-]S(=O)(=O)c1ccsc1C#N ZINC000593563519 398656183 /nfs/dbraw/zinc/65/61/83/398656183.db2.gz AOXGXVIYWACHCW-UHFFFAOYSA-N -1 3 320.439 2.758 20 30 DFEDHM CC(C)CCc1nnc([N-]C(=O)c2cccc(C#N)n2)s1 ZINC000597872256 398710166 /nfs/dbraw/zinc/71/01/66/398710166.db2.gz OARVBMYFKFQJKA-UHFFFAOYSA-N -1 3 301.375 2.646 20 30 DFEDHM CO[C@H]1CCc2c(C#N)c([N-]C(=O)c3nccs3)sc2C1 ZINC000591004053 398713454 /nfs/dbraw/zinc/71/34/54/398713454.db2.gz GFHAOKJGQOYNFA-QMMMGPOBSA-N -1 3 319.411 2.832 20 30 DFEDHM O=C(Cc1ccc2c(c1)CCO2)Nc1nnc(-c2ccco2)[n-]1 ZINC000073974456 398714225 /nfs/dbraw/zinc/71/42/25/398714225.db2.gz MWRCZOLRCMTXIX-UHFFFAOYSA-N -1 3 310.313 2.830 20 30 DFEDHM O=C(Cc1ccc2c(c1)CCO2)Nc1nc(-c2ccco2)n[n-]1 ZINC000073974456 398714228 /nfs/dbraw/zinc/71/42/28/398714228.db2.gz MWRCZOLRCMTXIX-UHFFFAOYSA-N -1 3 310.313 2.830 20 30 DFEDHM O=C(Cc1ccc2c(c1)CCO2)Nc1n[n-]c(-c2ccco2)n1 ZINC000073974456 398714231 /nfs/dbraw/zinc/71/42/31/398714231.db2.gz MWRCZOLRCMTXIX-UHFFFAOYSA-N -1 3 310.313 2.830 20 30 DFEDHM N#Cc1ccsc1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000004330618 181098610 /nfs/dbraw/zinc/09/86/10/181098610.db2.gz JEBPVXNWVSUQQR-UHFFFAOYSA-N -1 3 318.270 2.688 20 30 DFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]3C[C@@H]32)c(Cl)c1 ZINC000591331211 398749472 /nfs/dbraw/zinc/74/94/72/398749472.db2.gz SAHOJPMFGBQTNW-MDZLAQPJSA-N -1 3 310.806 2.679 20 30 DFEDHM C[C@H](C#N)N(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C1CC1 ZINC000598131534 398759638 /nfs/dbraw/zinc/75/96/38/398759638.db2.gz BPNOXRNMTWXMJE-SNVBAGLBSA-N -1 3 300.358 2.622 20 30 DFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C[C@H]1CC1(C)C ZINC000598565246 398832688 /nfs/dbraw/zinc/83/26/88/398832688.db2.gz NFPBUPSZNLPRSE-CYBMUJFWSA-N -1 3 315.417 2.713 20 30 DFEDHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(CC#N)c1)C1CCCC1 ZINC000594695747 398843951 /nfs/dbraw/zinc/84/39/51/398843951.db2.gz HKVIPGUKNDEWPO-INIZCTEOSA-N -1 3 322.430 2.700 20 30 DFEDHM CO[C@H](CS(=O)(=O)[N-]c1ccc(C#N)cc1)C1CCCCC1 ZINC000594697516 398844234 /nfs/dbraw/zinc/84/42/34/398844234.db2.gz XBDVUQSBRCWVIF-MRXNPFEDSA-N -1 3 322.430 2.895 20 30 DFEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)CCc2ccccc2F)C1 ZINC000594724484 398849652 /nfs/dbraw/zinc/84/96/52/398849652.db2.gz WHXWFWCJTVYGJI-CJNGLKHVSA-N -1 3 324.421 2.760 20 30 DFEDHM N#C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000594829830 398860908 /nfs/dbraw/zinc/86/09/08/398860908.db2.gz ALINJYQPZLIOKC-TVQRCGJNSA-N -1 3 316.785 2.840 20 30 DFEDHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC[C@H](CC#N)C3)c(=O)c2c1 ZINC000598746045 398866155 /nfs/dbraw/zinc/86/61/55/398866155.db2.gz PXQDBWTVODUNTG-CQSZACIVSA-N -1 3 323.396 2.911 20 30 DFEDHM N#CCCN(CCC#N)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598894895 398890751 /nfs/dbraw/zinc/89/07/51/398890751.db2.gz UJTWABZOFGYHEE-UHFFFAOYSA-N -1 3 311.263 2.681 20 30 DFEDHM Cc1cccc2c1CCC[C@H]2[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000595395039 398932054 /nfs/dbraw/zinc/93/20/54/398932054.db2.gz UKGAQSKIUHOANL-OAHLLOKOSA-N -1 3 316.382 2.816 20 30 DFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCCC2)c(C(F)(F)F)c1 ZINC000055947667 398949415 /nfs/dbraw/zinc/94/94/15/398949415.db2.gz HOSUSBRUZIUZFG-UHFFFAOYSA-N -1 3 318.320 2.798 20 30 DFEDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H]2C[C@H]2C1 ZINC000599480300 398992058 /nfs/dbraw/zinc/99/20/58/398992058.db2.gz AXIWZLOAQDZCFZ-JYAVWHMHSA-N -1 3 324.833 2.926 20 30 DFEDHM O=C(CCCOc1cccnc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000079700528 399076430 /nfs/dbraw/zinc/07/64/30/399076430.db2.gz OBZGNRSCGLZSHW-UHFFFAOYSA-N -1 3 315.255 2.666 20 30 DFEDHM O=C(CCCOc1cccnc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000079700528 399076435 /nfs/dbraw/zinc/07/64/35/399076435.db2.gz OBZGNRSCGLZSHW-UHFFFAOYSA-N -1 3 315.255 2.666 20 30 DFEDHM C=CCOc1ccccc1CNC(=O)c1cc(OC)ccc1[O-] ZINC000599813511 399096646 /nfs/dbraw/zinc/09/66/46/399096646.db2.gz IVQVWAVVPXCGTE-UHFFFAOYSA-N -1 3 313.353 2.896 20 30 DFEDHM COc1ccccc1-c1nc(NC(=O)[C@@H](C)OCC2CC2)n[n-]1 ZINC000064724683 399231350 /nfs/dbraw/zinc/23/13/50/399231350.db2.gz DPPYRTXMRNSSOX-SNVBAGLBSA-N -1 3 316.361 2.883 20 30 DFEDHM N#CC1(NC(=O)c2ccc3c(c2[O-])CCCC3)CCSCC1 ZINC000183502100 335032227 /nfs/dbraw/zinc/03/22/27/335032227.db2.gz TWKAIKZOIKFMIA-UHFFFAOYSA-N -1 3 316.426 2.790 20 30 DFEDHM CCOc1nc2cc(C(=O)N(C)[C@@H]3CCC[C@@H]3C#N)ccc2[n-]1 ZINC000601817514 399342419 /nfs/dbraw/zinc/34/24/19/399342419.db2.gz JDTQIZKJZDTUJB-IUODEOHRSA-N -1 3 312.373 2.726 20 30 DFEDHM CCOc1nc2ccc(C(=O)N(C)[C@@H]3CCC[C@@H]3C#N)cc2[n-]1 ZINC000601817514 399342421 /nfs/dbraw/zinc/34/24/21/399342421.db2.gz JDTQIZKJZDTUJB-IUODEOHRSA-N -1 3 312.373 2.726 20 30 DFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCC2CCCCC2)c(F)c1 ZINC000610082605 399341747 /nfs/dbraw/zinc/34/17/47/399341747.db2.gz UNUNNRRRBDAWQZ-UHFFFAOYSA-N -1 3 310.394 2.946 20 30 DFEDHM CC[C@@H]([N-]S(=O)(=O)c1cccc(CC#N)c1)c1nccs1 ZINC000619485135 399352664 /nfs/dbraw/zinc/35/26/64/399352664.db2.gz MYZJERNANQQBFU-CYBMUJFWSA-N -1 3 321.427 2.639 20 30 DFEDHM C=CCCC(=O)Nc1cc(I)ccc1[O-] ZINC000610490571 399373078 /nfs/dbraw/zinc/37/30/78/399373078.db2.gz 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C#Cc1cccc(N(C)Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000819709538 606967725 /nfs/dbraw/zinc/96/77/25/606967725.db2.gz IHPVTFRGFLZRDA-UHFFFAOYSA-N -1 3 307.332 2.624 20 30 DFEDHM C#Cc1cccc(N(C)Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000819709538 606967726 /nfs/dbraw/zinc/96/77/26/606967726.db2.gz IHPVTFRGFLZRDA-UHFFFAOYSA-N -1 3 307.332 2.624 20 30 DFEDHM CC(C)CCN(CCC#N)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820077010 606975677 /nfs/dbraw/zinc/97/56/77/606975677.db2.gz XUJVJIBFERYNNI-UHFFFAOYSA-N -1 3 316.384 2.768 20 30 DFEDHM CC(C)CCN(CCC#N)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820077010 606975679 /nfs/dbraw/zinc/97/56/79/606975679.db2.gz XUJVJIBFERYNNI-UHFFFAOYSA-N -1 3 316.384 2.768 20 30 DFEDHM CC1(C)CCC(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CC1 ZINC000820589722 607238121 /nfs/dbraw/zinc/23/81/21/607238121.db2.gz LNCJUSCHUULLNI-UHFFFAOYSA-N -1 3 324.388 2.893 20 30 DFEDHM CC1(C)CCC(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CC1 ZINC000820589722 607238122 /nfs/dbraw/zinc/23/81/22/607238122.db2.gz 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/nfs/dbraw/zinc/91/59/30/607915930.db2.gz JQIAMSOLFYRDDH-ALCCZGGFSA-N -1 3 319.299 2.774 20 30 DFEDHM CC1(C)CCC[C@@H](C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1 ZINC000824802712 607926518 /nfs/dbraw/zinc/92/65/18/607926518.db2.gz ONOPUZNMZZUKEC-LLVKDONJSA-N -1 3 324.388 2.893 20 30 DFEDHM CC1(C)CCC[C@@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1 ZINC000824802712 607926519 /nfs/dbraw/zinc/92/65/19/607926519.db2.gz ONOPUZNMZZUKEC-LLVKDONJSA-N -1 3 324.388 2.893 20 30 DFEDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(C#N)cc1 ZINC000825782947 607975998 /nfs/dbraw/zinc/97/59/98/607975998.db2.gz WJYFRWZPZOBRGM-UHFFFAOYSA-N -1 3 315.340 2.775 20 30 DFEDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(C#N)cc1 ZINC000825782947 607975999 /nfs/dbraw/zinc/97/59/99/607975999.db2.gz WJYFRWZPZOBRGM-UHFFFAOYSA-N -1 3 315.340 2.775 20 30 DFEDHM O=C(C=Cc1nc(Cl)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826402917 607982047 /nfs/dbraw/zinc/98/20/47/607982047.db2.gz FZUHAONQEJGPGO-AATRIKPKSA-N -1 3 317.761 2.873 20 30 DFEDHM O=C(C=Cc1nc(Cl)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826402917 607982048 /nfs/dbraw/zinc/98/20/48/607982048.db2.gz FZUHAONQEJGPGO-AATRIKPKSA-N -1 3 317.761 2.873 20 30 DFEDHM C=C(CC)COC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000823877620 608317899 /nfs/dbraw/zinc/31/78/99/608317899.db2.gz BTWKQJHAZILGQO-UHFFFAOYSA-N -1 3 318.402 2.609 20 30 DFEDHM C=C(CC)COC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000823877620 608317901 /nfs/dbraw/zinc/31/79/01/608317901.db2.gz BTWKQJHAZILGQO-UHFFFAOYSA-N -1 3 318.402 2.609 20 30 DFEDHM C=CCN(Cc1ccc(-c2nnn[n-]2)o1)Cc1cccs1 ZINC000823909826 608503671 /nfs/dbraw/zinc/50/36/71/608503671.db2.gz RKHFRCMEYCGEJR-UHFFFAOYSA-N -1 3 301.375 2.709 20 30 DFEDHM C=CCN(Cc1ccc(-c2nn[n-]n2)o1)Cc1cccs1 ZINC000823909826 608503672 /nfs/dbraw/zinc/50/36/72/608503672.db2.gz RKHFRCMEYCGEJR-UHFFFAOYSA-N -1 3 301.375 2.709 20 30 DFEDHM Cc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)s1 ZINC000826285969 608541261 /nfs/dbraw/zinc/54/12/61/608541261.db2.gz PENDYAMTNFOXJO-UHFFFAOYSA-N -1 3 319.781 2.731 20 30 DFEDHM Cc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)s1 ZINC000826285969 608541263 /nfs/dbraw/zinc/54/12/63/608541263.db2.gz PENDYAMTNFOXJO-UHFFFAOYSA-N -1 3 319.781 2.731 20 30 DFEDHM O=C1c2ccc(F)cc2CC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475569 608881500 /nfs/dbraw/zinc/88/15/00/608881500.db2.gz KFALUZPVOBFZTP-VZUCSPMQSA-N -1 3 324.290 2.967 20 30 DFEDHM O=C1c2ccc(F)cc2CC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475569 608881501 /nfs/dbraw/zinc/88/15/01/608881501.db2.gz KFALUZPVOBFZTP-VZUCSPMQSA-N -1 3 324.290 2.967 20 30 DFEDHM O=C(C=Cc1ccc(O)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400955 609274849 /nfs/dbraw/zinc/27/48/49/609274849.db2.gz LYQMEIHKAVMWPF-FPYGCLRLSA-N -1 3 310.288 2.608 20 30 DFEDHM O=C(C=Cc1ccc(O)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400955 609274851 /nfs/dbraw/zinc/27/48/51/609274851.db2.gz LYQMEIHKAVMWPF-FPYGCLRLSA-N -1 3 310.288 2.608 20 30 DFEDHM CC(N=Nc1cc(Cl)ccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823958510 609307258 /nfs/dbraw/zinc/30/72/58/609307258.db2.gz 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ZINC000824035526 609512249 /nfs/dbraw/zinc/51/22/49/609512249.db2.gz ZFZPXMGPOFDDBS-LBPRGKRZSA-N -1 3 320.356 2.770 20 30 DFEDHM C[C@@H](C#N)Oc1ccccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000824035526 609512250 /nfs/dbraw/zinc/51/22/50/609512250.db2.gz ZFZPXMGPOFDDBS-LBPRGKRZSA-N -1 3 320.356 2.770 20 30 DFEDHM Cc1ccnc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC000826311746 609533467 /nfs/dbraw/zinc/53/34/67/609533467.db2.gz MKNSQKHKNBBYCV-NSHDSACASA-N -1 3 305.345 2.615 20 30 DFEDHM Cc1ccnc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC000826311746 609533469 /nfs/dbraw/zinc/53/34/69/609533469.db2.gz MKNSQKHKNBBYCV-NSHDSACASA-N -1 3 305.345 2.615 20 30 DFEDHM C#CCCCCCC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823841574 609592489 /nfs/dbraw/zinc/59/24/89/609592489.db2.gz PSDBRVLHTWUXCS-UHFFFAOYSA-N -1 3 301.325 2.528 20 30 DFEDHM C#CCCCCCC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823841574 609592492 /nfs/dbraw/zinc/59/24/92/609592492.db2.gz PSDBRVLHTWUXCS-UHFFFAOYSA-N -1 3 301.325 2.528 20 30 DFEDHM C[C@]1(C#N)CCCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000824778491 609600559 /nfs/dbraw/zinc/60/05/59/609600559.db2.gz QBLHVACNYSMSFF-CQSZACIVSA-N -1 3 302.769 2.650 20 30 DFEDHM C[C@]1(C#N)CCCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000824778491 609600560 /nfs/dbraw/zinc/60/05/60/609600560.db2.gz QBLHVACNYSMSFF-CQSZACIVSA-N -1 3 302.769 2.650 20 30 DFEDHM C=CCOc1cccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000076936518 185058115 /nfs/dbraw/zinc/05/81/15/185058115.db2.gz YWWIRXFPGWWQIX-HNNXBMFYSA-N -1 3 311.403 2.562 20 30 DFEDHM CCOc1ccc(/N=C/c2c([O-])c(C)ncc2CO)cc1OC ZINC000005111175 398350899 /nfs/dbraw/zinc/35/08/99/398350899.db2.gz RBDBHWRTOCJDNC-DJKKODMXSA-N -1 3 316.357 2.746 20 30 DFEDHM N#CC(=C([O-])c1cnc2n1CCCC2)c1cnc2ccccc2n1 ZINC000578432055 398372693 /nfs/dbraw/zinc/37/26/93/398372693.db2.gz YUIZFLVLOJYUDI-GFCCVEGCSA-N -1 3 317.352 2.653 20 30 DFEDHM COCCN(Cc1ccc(C#N)cc1)Cc1nc(C)ccc1[O-] ZINC000092567678 185326331 /nfs/dbraw/zinc/32/63/31/185326331.db2.gz JIHBHLSGMMOHAB-UHFFFAOYSA-N -1 3 311.385 2.616 20 30 DFEDHM Cn1cc(C#N)cc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000083763365 398390931 /nfs/dbraw/zinc/39/09/31/398390931.db2.gz ZQZJNWJVXLFQSF-NSHDSACASA-N -1 3 318.258 2.801 20 30 DFEDHM Cc1cc(F)cc2c1[n-]cc(C(=O)N[C@@H](C#N)CC(C)C)c2=O ZINC000587088659 398470474 /nfs/dbraw/zinc/47/04/74/398470474.db2.gz CZYZTYXVBFVLJZ-GFCCVEGCSA-N -1 3 315.348 2.644 20 30 DFEDHM Cc1cc(N2CCOCC2)ccc1/N=C/c1cccc([O-])c1O ZINC000031854764 398523463 /nfs/dbraw/zinc/52/34/63/398523463.db2.gz ZCBMXAPBSIXXLS-XDHOZWIPSA-N -1 3 312.369 2.993 20 30 DFEDHM C=CCCC[C@H](C)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000091514545 398534927 /nfs/dbraw/zinc/53/49/27/398534927.db2.gz IOFFKAHDSFUTFH-HNNXBMFYSA-N -1 3 302.418 2.895 20 30 DFEDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C1CC1 ZINC000323902653 398561563 /nfs/dbraw/zinc/56/15/63/398561563.db2.gz PZOUNXXEHZUYJW-AWEZNQCLSA-N -1 3 312.822 2.925 20 30 DFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C)c([N+](=O)[O-])c2)nc(C)n1 ZINC000041574784 398569430 /nfs/dbraw/zinc/56/94/30/398569430.db2.gz ARYXBGUBOJAGGA-CYBMUJFWSA-N -1 3 310.313 2.800 20 30 DFEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000330860155 398569969 /nfs/dbraw/zinc/56/99/69/398569969.db2.gz VYAOGFQJOGXSGP-JTQLQIEISA-N -1 3 307.202 2.820 20 30 DFEDHM Cc1ccn2cc(C([O-])=C(C#N)c3cc(C)nc(C)n3)nc2c1 ZINC000041562811 398569190 /nfs/dbraw/zinc/56/91/90/398569190.db2.gz AGBRGTSLZKFZMF-ZDUSSCGKSA-N -1 3 305.341 2.540 20 30 DFEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1cccc2ccncc21 ZINC000593206642 398571741 /nfs/dbraw/zinc/57/17/41/398571741.db2.gz LEVKOGWGTBRULH-UHFFFAOYSA-N -1 3 303.387 2.916 20 30 DFEDHM N#Cc1ccccc1OCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000069693208 398580180 /nfs/dbraw/zinc/58/01/80/398580180.db2.gz GXFUQDGRLLVPFB-UHFFFAOYSA-N -1 3 302.717 2.935 20 30 DFEDHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(C#N)cc1 ZINC000042166945 398585727 /nfs/dbraw/zinc/58/57/27/398585727.db2.gz RTRMWELTEXCKGX-JTQLQIEISA-N -1 3 322.336 2.876 20 30 DFEDHM COc1ccc(CN2CC(CC#N)C2)c(Br)c1[O-] ZINC000597204462 398589869 /nfs/dbraw/zinc/58/98/69/398589869.db2.gz WJYLIWURXXJBIH-UHFFFAOYSA-N -1 3 311.179 2.509 20 30 DFEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H]1CCc2ccccc21 ZINC000593540789 398653800 /nfs/dbraw/zinc/65/38/00/398653800.db2.gz BOSNQVBSBWAOFW-GFCCVEGCSA-N -1 3 318.423 2.628 20 30 DFEDHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccsc1C#N)CC2 ZINC000593542285 398653635 /nfs/dbraw/zinc/65/36/35/398653635.db2.gz GUSRLLQMBQINLP-CYBMUJFWSA-N -1 3 318.423 2.894 20 30 DFEDHM CCc1cccc(C(=O)N(CCC#N)Cc2ccccn2)c1[O-] ZINC000094107456 398653726 /nfs/dbraw/zinc/65/37/26/398653726.db2.gz GAOPNDZFGXVAET-UHFFFAOYSA-N -1 3 309.369 2.906 20 30 DFEDHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccsc1C#N ZINC000593557709 398655308 /nfs/dbraw/zinc/65/53/08/398655308.db2.gz QYXKOEIFCCHENS-ZJUUUORDSA-N -1 3 316.473 2.572 20 30 DFEDHM CS[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)C(C)(C)C ZINC000593575889 398657328 /nfs/dbraw/zinc/65/73/28/398657328.db2.gz OTDBZHCSIHAIKP-LLVKDONJSA-N -1 3 318.489 2.676 20 30 DFEDHM CC1(C)Cc2ccc(C(=O)NCC3(C#N)CCCC3)c([O-])c2O1 ZINC000593774496 398684509 /nfs/dbraw/zinc/68/45/09/398684509.db2.gz DTLBCWZEAISZPC-UHFFFAOYSA-N -1 3 314.385 2.919 20 30 DFEDHM C[C@@H](C#N)S(=O)(=O)[N-][C@H](c1ccccc1F)C1CCCC1 ZINC000416422394 398699952 /nfs/dbraw/zinc/69/99/52/398699952.db2.gz LLXJENHXBNDQQS-NHYWBVRUSA-N -1 3 310.394 2.888 20 30 DFEDHM N#Cc1ccc(N2CCCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000047137100 398738091 /nfs/dbraw/zinc/73/80/91/398738091.db2.gz WPYKGVKWVKMMNS-UHFFFAOYSA-N -1 3 321.380 2.616 20 30 DFEDHM COc1cc(C(=O)NCC2(C#N)CCCCC2)cc(OC)c1[O-] ZINC000598311345 398789016 /nfs/dbraw/zinc/78/90/16/398789016.db2.gz WHRLLPKICYCQAO-UHFFFAOYSA-N -1 3 318.373 2.613 20 30 DFEDHM Cc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c(=O)[nH]1 ZINC000076094873 398839858 /nfs/dbraw/zinc/83/98/58/398839858.db2.gz QCUOTRGESHEHQL-LLVKDONJSA-N -1 3 301.371 2.753 20 30 DFEDHM CO[C@H](CS(=O)(=O)[N-]c1cc(C)cc(C#N)c1)C1CCCC1 ZINC000594696523 398843984 /nfs/dbraw/zinc/84/39/84/398843984.db2.gz 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C=CCC[C@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000823894645 608275335 /nfs/dbraw/zinc/27/53/35/608275335.db2.gz VLGLSFOAMLTAOU-NWDGAFQWSA-N -1 3 316.361 2.532 20 30 DFEDHM C=CCC[C@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000823894645 608275337 /nfs/dbraw/zinc/27/53/37/608275337.db2.gz VLGLSFOAMLTAOU-NWDGAFQWSA-N -1 3 316.361 2.532 20 30 DFEDHM CC[C@@H]1CCCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825191966 608535685 /nfs/dbraw/zinc/53/56/85/608535685.db2.gz DZWNXOICANNIOW-MRVPVSSYSA-N -1 3 305.773 2.893 20 30 DFEDHM CC[C@@H]1CCCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825191966 608535686 /nfs/dbraw/zinc/53/56/86/608535686.db2.gz DZWNXOICANNIOW-MRVPVSSYSA-N -1 3 305.773 2.893 20 30 DFEDHM CN(Cc1cccc(C#N)c1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825976979 608645155 /nfs/dbraw/zinc/64/51/55/608645155.db2.gz UKJKQDAELRYTLV-UHFFFAOYSA-N -1 3 322.347 2.509 20 30 DFEDHM CN(Cc1cccc(C#N)c1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000825976979 608645158 /nfs/dbraw/zinc/64/51/58/608645158.db2.gz 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C=CCC(CC=C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819734568 606951370 /nfs/dbraw/zinc/95/13/70/606951370.db2.gz RKVPCEKIQSZUFQ-GFCCVEGCSA-N -1 3 311.389 2.812 20 30 DFEDHM C=CCCCOC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000819740247 607090170 /nfs/dbraw/zinc/09/01/70/607090170.db2.gz VZTDQFXVQGIGMF-UHFFFAOYSA-N -1 3 316.361 2.534 20 30 DFEDHM C=CCCCOC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000819740247 607090171 /nfs/dbraw/zinc/09/01/71/607090171.db2.gz VZTDQFXVQGIGMF-UHFFFAOYSA-N -1 3 316.361 2.534 20 30 DFEDHM Cc1ccc(F)c(NN=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822239709 607111496 /nfs/dbraw/zinc/11/14/96/607111496.db2.gz ASWNXVBQVDYNIO-UHFFFAOYSA-N -1 3 302.338 2.822 20 30 DFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000826402060 607883991 /nfs/dbraw/zinc/88/39/91/607883991.db2.gz MIPOATVEYGBGCW-CMDGGOBGSA-N -1 3 321.296 2.671 20 30 DFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000826402060 607883992 /nfs/dbraw/zinc/88/39/92/607883992.db2.gz MIPOATVEYGBGCW-CMDGGOBGSA-N -1 3 321.296 2.671 20 30 DFEDHM Cc1ccc2c(c1)CC(=Cc1ccccc1-c1nnn[n-]1)C2=O ZINC000826294153 607884730 /nfs/dbraw/zinc/88/47/30/607884730.db2.gz KFCRJVJULPTILN-ZROIWOOFSA-N -1 3 302.337 2.998 20 30 DFEDHM Cc1ccc2c(c1)CC(=Cc1ccccc1-c1nn[n-]n1)C2=O ZINC000826294153 607884731 /nfs/dbraw/zinc/88/47/31/607884731.db2.gz KFCRJVJULPTILN-ZROIWOOFSA-N -1 3 302.337 2.998 20 30 DFEDHM N#Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000826384025 607916102 /nfs/dbraw/zinc/91/61/02/607916102.db2.gz CSJGTRXTYKFLOU-XBXARRHUSA-N -1 3 319.299 2.774 20 30 DFEDHM N#Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826384025 607916103 /nfs/dbraw/zinc/91/61/03/607916103.db2.gz CSJGTRXTYKFLOU-XBXARRHUSA-N -1 3 319.299 2.774 20 30 DFEDHM N#Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000826383708 607916122 /nfs/dbraw/zinc/91/61/22/607916122.db2.gz MQEJPUCNNVKDTC-KRXBUXKQSA-N -1 3 319.299 2.774 20 30 DFEDHM N#Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000826383708 607916123 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ZINC000823888151 608286248 /nfs/dbraw/zinc/28/62/48/608286248.db2.gz GLFXEKPYKPGPCN-UHFFFAOYSA-N -1 3 310.405 2.543 20 30 DFEDHM C#CCCCSCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823841989 608321600 /nfs/dbraw/zinc/32/16/00/608321600.db2.gz WVHJMTLGXOQRFY-UHFFFAOYSA-N -1 3 302.403 2.782 20 30 DFEDHM CCc1cnccc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825735781 608328327 /nfs/dbraw/zinc/32/83/27/608328327.db2.gz UUXSHUZCQFMAAA-VMPITWQZSA-N -1 3 305.341 2.720 20 30 DFEDHM CCc1cnccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825735781 608328329 /nfs/dbraw/zinc/32/83/29/608328329.db2.gz UUXSHUZCQFMAAA-VMPITWQZSA-N -1 3 305.341 2.720 20 30 DFEDHM C#Cc1cccc(N(C)Cc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000823861688 608391277 /nfs/dbraw/zinc/39/12/77/608391277.db2.gz POAMGOQHXRIRMR-UHFFFAOYSA-N -1 3 307.332 2.624 20 30 DFEDHM C#Cc1cccc(N(C)Cc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000823861688 608391279 /nfs/dbraw/zinc/39/12/79/608391279.db2.gz POAMGOQHXRIRMR-UHFFFAOYSA-N -1 3 307.332 2.624 20 30 DFEDHM C=CCCC[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000823894316 608588300 /nfs/dbraw/zinc/58/83/00/608588300.db2.gz NCQWDGIYRPTPFI-JTQLQIEISA-N -1 3 302.338 2.932 20 30 DFEDHM C=CCCC[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000823894316 608588302 /nfs/dbraw/zinc/58/83/02/608588302.db2.gz NCQWDGIYRPTPFI-JTQLQIEISA-N -1 3 302.338 2.932 20 30 DFEDHM N#Cc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000826384443 609270367 /nfs/dbraw/zinc/27/03/67/609270367.db2.gz WBHPZCFPLCLLLJ-VURMDHGXSA-N -1 3 319.299 2.774 20 30 DFEDHM N#Cc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000826384443 609270369 /nfs/dbraw/zinc/27/03/69/609270369.db2.gz WBHPZCFPLCLLLJ-VURMDHGXSA-N -1 3 319.299 2.774 20 30 DFEDHM N#Cc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826387210 609270775 /nfs/dbraw/zinc/27/07/75/609270775.db2.gz KSMLDZLYRHENSU-SOFGYWHQSA-N -1 3 319.299 2.774 20 30 DFEDHM N#Cc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826387210 609270776 /nfs/dbraw/zinc/27/07/76/609270776.db2.gz 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O=C1C(=Cc2cccc(-c3nn[n-]n3)c2)Cc2c1c(F)ccc2F ZINC000826475312 607530099 /nfs/dbraw/zinc/53/00/99/607530099.db2.gz BXMADGHVSZDSPU-YRNVUSSQSA-N -1 3 324.290 2.967 20 30 DFEDHM CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CCCN2C(=O)[O-])c([O-])c1 ZINC000739411504 602566791 /nfs/dbraw/zinc/56/67/91/602566791.db2.gz NLBPGAFHQNCZTF-LZNAANCOSA-N -1 3 319.405 2.800 20 30 DFEDHM CN(CC(=O)C(C#N)c1nc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000739618272 602622197 /nfs/dbraw/zinc/62/21/97/602622197.db2.gz YTFFBWSDQNYHBL-QMMMGPOBSA-N -1 3 323.761 2.736 20 30 DFEDHM CN(Cc1ccc(C#N)cc1F)C1CCC(NC(=O)[O-])CC1 ZINC000828350358 603782706 /nfs/dbraw/zinc/78/27/06/603782706.db2.gz FCDVNXIBNCKOLF-UHFFFAOYSA-N -1 3 305.353 2.708 20 30 DFEDHM N#Cc1cccc(C(=O)CSc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826386951 607658843 /nfs/dbraw/zinc/65/88/43/607658843.db2.gz ZIWLOIXJCFSOFF-UHFFFAOYSA-N -1 3 321.365 2.713 20 30 DFEDHM N#Cc1cccc(C(=O)CSc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826386951 607658845 /nfs/dbraw/zinc/65/88/45/607658845.db2.gz 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606080280 /nfs/dbraw/zinc/08/02/80/606080280.db2.gz SYYVJRBGHAFNQU-UHFFFAOYSA-N -1 3 306.373 2.817 20 30 DFEDHM C=CC1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)CC1 ZINC000819730227 606080282 /nfs/dbraw/zinc/08/02/82/606080282.db2.gz SYYVJRBGHAFNQU-UHFFFAOYSA-N -1 3 306.373 2.817 20 30 DFEDHM COc1ccc2c(c1)C(=NNc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821850188 606166080 /nfs/dbraw/zinc/16/60/80/606166080.db2.gz YJNSRJMAJKCYJQ-UHFFFAOYSA-N -1 3 320.356 2.638 20 30 DFEDHM COc1ccc2c(c1)C(=NNc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821850188 606166081 /nfs/dbraw/zinc/16/60/81/606166081.db2.gz YJNSRJMAJKCYJQ-UHFFFAOYSA-N -1 3 320.356 2.638 20 30 DFEDHM Fc1cc(NN=Cc2cc(-c3nnn[n-]3)cs2)cc(F)c1F ZINC000822753252 606206296 /nfs/dbraw/zinc/20/62/96/606206296.db2.gz KOTYVCUCYUAITB-UHFFFAOYSA-N -1 3 324.291 2.792 20 30 DFEDHM Fc1cc(NN=Cc2cc(-c3nn[n-]n3)cs2)cc(F)c1F ZINC000822753252 606206297 /nfs/dbraw/zinc/20/62/97/606206297.db2.gz KOTYVCUCYUAITB-UHFFFAOYSA-N -1 3 324.291 2.792 20 30 DFEDHM 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C=CC[C@@H](C)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735409625 599192243 /nfs/dbraw/zinc/19/22/43/599192243.db2.gz HFTVEAUNGPIVCU-MRVPVSSYSA-N -1 3 322.825 2.771 20 30 DFEDHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1cccs1 ZINC000735551796 599193076 /nfs/dbraw/zinc/19/30/76/599193076.db2.gz VJGVKKGGVPPHTP-SECBINFHSA-N -1 3 324.369 2.542 20 30 DFEDHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1cccs1 ZINC000735551796 599193079 /nfs/dbraw/zinc/19/30/79/599193079.db2.gz VJGVKKGGVPPHTP-SECBINFHSA-N -1 3 324.369 2.542 20 30 DFEDHM CC(C)C[C@@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735761022 599196780 /nfs/dbraw/zinc/19/67/80/599196780.db2.gz KBSZCCFLJIAUBT-LLVKDONJSA-N -1 3 312.377 2.749 20 30 DFEDHM CC(C)C[C@@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735761022 599196782 /nfs/dbraw/zinc/19/67/82/599196782.db2.gz KBSZCCFLJIAUBT-LLVKDONJSA-N -1 3 312.377 2.749 20 30 DFEDHM C[C@H]1CCC[C@H](C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1 ZINC000736244009 599196916 /nfs/dbraw/zinc/19/69/16/599196916.db2.gz CAESFSZXLKTZFU-QWRGUYRKSA-N -1 3 310.361 2.503 20 30 DFEDHM C[C@H]1CCC[C@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1 ZINC000736244009 599196918 /nfs/dbraw/zinc/19/69/18/599196918.db2.gz CAESFSZXLKTZFU-QWRGUYRKSA-N -1 3 310.361 2.503 20 30 DFEDHM CCCC[C@@H](CC)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736439720 599196935 /nfs/dbraw/zinc/19/69/35/599196935.db2.gz UHSQNUWNFQDVTO-LLVKDONJSA-N -1 3 312.377 2.893 20 30 DFEDHM CCCC[C@@H](CC)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736439720 599196936 /nfs/dbraw/zinc/19/69/36/599196936.db2.gz UHSQNUWNFQDVTO-LLVKDONJSA-N -1 3 312.377 2.893 20 30 DFEDHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736262485 599198782 /nfs/dbraw/zinc/19/87/82/599198782.db2.gz NADUJWCJEDFEMS-NEPJUHHUSA-N -1 3 324.388 2.893 20 30 DFEDHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736262485 599198785 /nfs/dbraw/zinc/19/87/85/599198785.db2.gz NADUJWCJEDFEMS-NEPJUHHUSA-N -1 3 324.388 2.893 20 30 DFEDHM 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20 30 DFEDHM C=C(C)CN(CC)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819722513 599679597 /nfs/dbraw/zinc/67/95/97/599679597.db2.gz LEOQXYMSGTUIFE-GFCCVEGCSA-N -1 3 314.393 2.535 20 30 DFEDHM C=C(C)CN(CC)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819722513 599679598 /nfs/dbraw/zinc/67/95/98/599679598.db2.gz LEOQXYMSGTUIFE-GFCCVEGCSA-N -1 3 314.393 2.535 20 30 DFEDHM CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCCN(C(=O)[O-])C2)c([O-])c1 ZINC000737088158 599801149 /nfs/dbraw/zinc/80/11/49/599801149.db2.gz HAUXBHKKJDYNBT-JVVDOCDTSA-N -1 3 319.405 2.800 20 30 DFEDHM C=CCN1CCC(NC(=O)Nc2cccc(NC(=O)[O-])c2)CC1 ZINC000736106727 600024293 /nfs/dbraw/zinc/02/42/93/600024293.db2.gz JPUZMGSIWARZKF-UHFFFAOYSA-N -1 3 318.377 2.548 20 30 DFEDHM C=CCCCN(C)[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000736102641 600262785 /nfs/dbraw/zinc/26/27/85/600262785.db2.gz SQBJODBWROWAIM-ZDUSSCGKSA-N -1 3 304.390 2.918 20 30 DFEDHM C#CCN(Cc1ccc(-c2nn[n-]n2)o1)[C@@H]1CCc2ccccc21 ZINC000819701383 607442063 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318.340 2.737 20 30 DFEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1coc2ccccc12 ZINC000823861432 607531976 /nfs/dbraw/zinc/53/19/76/607531976.db2.gz INCOOVTXXPFBBM-UHFFFAOYSA-N -1 3 318.340 2.737 20 30 DFEDHM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(C)c1 ZINC000832342524 602178334 /nfs/dbraw/zinc/17/83/34/602178334.db2.gz UHUXWYHJYYKYDT-QGZVFWFLSA-N -1 3 310.353 2.791 20 30 DFEDHM CCC[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc2ccccc2s1 ZINC000739304642 602669452 /nfs/dbraw/zinc/66/94/52/602669452.db2.gz PGYBDEUURXBZDU-ONGXEEELSA-N -1 3 317.370 2.909 20 30 DFEDHM N#CC(C(=O)CC1(NC(=O)[O-])CCC1)c1ccc2ccccc2n1 ZINC000831064820 604252251 /nfs/dbraw/zinc/25/22/51/604252251.db2.gz NVNALWJVMLMIIH-CYBMUJFWSA-N -1 3 323.352 2.991 20 30 DFEDHM C=CCOc1ccccc1CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000833378346 604649001 /nfs/dbraw/zinc/64/90/01/604649001.db2.gz DYCQIYWDBVNAHS-OAHLLOKOSA-N -1 3 301.386 2.938 20 30 DFEDHM C=CCOc1ccc(CN2CCSC[C@@H]2CC(=O)[O-])cc1 ZINC000833377635 604657243 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Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc(C#N)ccc2C)n1 ZINC000071029273 190930181 /nfs/dbraw/zinc/93/01/81/190930181.db2.gz LSZSYXSLMLSIBY-NSHDSACASA-N -1 3 321.427 2.671 20 30 DFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)cc1F ZINC000589916538 398583499 /nfs/dbraw/zinc/58/34/99/398583499.db2.gz KAKHYUBUVHJLES-UHFFFAOYSA-N -1 3 318.320 2.554 20 30 DFEDHM N#C[C@@]1(c2nc(-c3ccc4n[n-]nc4c3)no2)CC12CCCC2 ZINC000351469982 398636033 /nfs/dbraw/zinc/63/60/33/398636033.db2.gz ZSJYFAZSRYCGKY-MRXNPFEDSA-N -1 3 306.329 2.733 20 30 DFEDHM CCN(CC#N)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000094055600 398651940 /nfs/dbraw/zinc/65/19/40/398651940.db2.gz DKLJGFZBYIDGOF-UHFFFAOYSA-N -1 3 310.353 2.957 20 30 DFEDHM Cc1ccccc1C[C@@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593535276 398653005 /nfs/dbraw/zinc/65/30/05/398653005.db2.gz VNQUDXYLLJINEJ-GFCCVEGCSA-N -1 3 320.439 2.838 20 30 DFEDHM Cc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1ccsc1C#N ZINC000593542771 398654109 /nfs/dbraw/zinc/65/41/09/398654109.db2.gz IFXLCMWNFBGURG-CYBMUJFWSA-N 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312.354 2.833 20 30 DFEDHM COc1ccsc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821911550 606976968 /nfs/dbraw/zinc/97/69/68/606976968.db2.gz XYSHQEZHJFLVHQ-VOTSOKGWSA-N -1 3 312.354 2.833 20 30 DFEDHM COc1ccsc1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821911393 606977141 /nfs/dbraw/zinc/97/71/41/606977141.db2.gz QAGQSEOEJVTVTG-AATRIKPKSA-N -1 3 312.354 2.833 20 30 DFEDHM COc1ccsc1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821911393 606977144 /nfs/dbraw/zinc/97/71/44/606977144.db2.gz QAGQSEOEJVTVTG-AATRIKPKSA-N -1 3 312.354 2.833 20 30 DFEDHM N#Cc1ccnc(SCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822842412 607009245 /nfs/dbraw/zinc/00/92/45/607009245.db2.gz HIMKXOPNNMWDFS-UHFFFAOYSA-N -1 3 312.333 2.565 20 30 DFEDHM N#Cc1ccnc(SCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822842412 607009247 /nfs/dbraw/zinc/00/92/47/607009247.db2.gz HIMKXOPNNMWDFS-UHFFFAOYSA-N -1 3 312.333 2.565 20 30 DFEDHM N#Cc1cccc(SCCOc2ccccc2-c2nnn[n-]2)c1 ZINC000822837331 607017493 /nfs/dbraw/zinc/01/74/93/607017493.db2.gz 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/nfs/dbraw/zinc/17/06/18/607170618.db2.gz VCUNCWUXWIDHLD-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM N#Cc1ccc(OCc2ccc(F)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000822833711 607170619 /nfs/dbraw/zinc/17/06/19/607170619.db2.gz VCUNCWUXWIDHLD-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM CCCCCCCCNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825271163 607854550 /nfs/dbraw/zinc/85/45/50/607854550.db2.gz IASGQORSQPTMCW-UHFFFAOYSA-N -1 3 301.394 2.957 20 30 DFEDHM CCCCCCCCNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825271163 607854551 /nfs/dbraw/zinc/85/45/51/607854551.db2.gz IASGQORSQPTMCW-UHFFFAOYSA-N -1 3 301.394 2.957 20 30 DFEDHM COc1cccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826213582 607883348 /nfs/dbraw/zinc/88/33/48/607883348.db2.gz CPCVQISMHXUISB-KTKRTIGZSA-N -1 3 306.325 2.771 20 30 DFEDHM COc1cccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826213582 607883349 /nfs/dbraw/zinc/88/33/49/607883349.db2.gz CPCVQISMHXUISB-KTKRTIGZSA-N -1 3 306.325 2.771 20 30 DFEDHM CN(C)c1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000825875263 607884156 /nfs/dbraw/zinc/88/41/56/607884156.db2.gz HPJGSKZZPCWBMR-FMIVXFBMSA-N -1 3 319.368 2.829 20 30 DFEDHM CN(C)c1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000825875263 607884157 /nfs/dbraw/zinc/88/41/57/607884157.db2.gz HPJGSKZZPCWBMR-FMIVXFBMSA-N -1 3 319.368 2.829 20 30 DFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc2c(c1)COC2 ZINC000826402655 607885045 /nfs/dbraw/zinc/88/50/45/607885045.db2.gz ZEWLADDURGSANZ-FPLPWBNLSA-N -1 3 318.336 2.793 20 30 DFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc2c(c1)COC2 ZINC000826402655 607885046 /nfs/dbraw/zinc/88/50/46/607885046.db2.gz ZEWLADDURGSANZ-FPLPWBNLSA-N -1 3 318.336 2.793 20 30 DFEDHM O=C1c2ccccc2OCCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475521 607885172 /nfs/dbraw/zinc/88/51/72/607885172.db2.gz IOVNNWPLKROXAC-ACCUITESSA-N -1 3 318.336 2.916 20 30 DFEDHM O=C1c2ccccc2OCCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475521 607885173 /nfs/dbraw/zinc/88/51/73/607885173.db2.gz IOVNNWPLKROXAC-ACCUITESSA-N -1 3 318.336 2.916 20 30 DFEDHM C(=NNc1cccc2cnccc21)c1ccccc1-c1nnn[n-]1 ZINC000823867542 607887994 /nfs/dbraw/zinc/88/79/94/607887994.db2.gz BZTPHUHIZRESIZ-UHFFFAOYSA-N -1 3 315.340 2.861 20 30 DFEDHM C(=NNc1cccc2cnccc21)c1ccccc1-c1nn[n-]n1 ZINC000823867542 607887995 /nfs/dbraw/zinc/88/79/95/607887995.db2.gz BZTPHUHIZRESIZ-UHFFFAOYSA-N -1 3 315.340 2.861 20 30 DFEDHM N#Cc1ccccc1CNC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826387034 607910902 /nfs/dbraw/zinc/91/09/02/607910902.db2.gz CVNMBMTZCZZDBA-UHFFFAOYSA-N -1 3 316.368 2.517 20 30 DFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cc(C)ccc1F ZINC000823953454 608109971 /nfs/dbraw/zinc/10/99/71/608109971.db2.gz AQIRZNDCRAWILJ-UHFFFAOYSA-N -1 3 324.363 2.828 20 30 DFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cc(C)ccc1F ZINC000823953454 608109972 /nfs/dbraw/zinc/10/99/72/608109972.db2.gz AQIRZNDCRAWILJ-UHFFFAOYSA-N -1 3 324.363 2.828 20 30 DFEDHM COc1ccc(-c2nnn[n-]2)cc1COc1ccc(C#N)cc1C ZINC000826185123 608152338 /nfs/dbraw/zinc/15/23/38/608152338.db2.gz ZLNJVHQACKGBDI-UHFFFAOYSA-N -1 3 321.340 2.634 20 30 DFEDHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc(C#N)cc1C ZINC000826185123 608152339 /nfs/dbraw/zinc/15/23/39/608152339.db2.gz ZLNJVHQACKGBDI-UHFFFAOYSA-N -1 3 321.340 2.634 20 30 DFEDHM C=CCSCCNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000823937254 608225013 /nfs/dbraw/zinc/22/50/13/608225013.db2.gz OLMFGPPSJSPIFN-UHFFFAOYSA-N -1 3 312.402 2.746 20 30 DFEDHM C=CCSCCNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000823937254 608225014 /nfs/dbraw/zinc/22/50/14/608225014.db2.gz OLMFGPPSJSPIFN-UHFFFAOYSA-N -1 3 312.402 2.746 20 30 DFEDHM Cc1scc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1C ZINC000826350203 608343068 /nfs/dbraw/zinc/34/30/68/608343068.db2.gz MDPJMFVTOBYWQX-UHFFFAOYSA-N -1 3 324.369 2.669 20 30 DFEDHM Cc1scc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1C ZINC000826350203 608343070 /nfs/dbraw/zinc/34/30/70/608343070.db2.gz MDPJMFVTOBYWQX-UHFFFAOYSA-N -1 3 324.369 2.669 20 30 DFEDHM N#Cc1cccc(COc2ccc(-c3nnn[n-]3)cc2F)c1F ZINC000826386339 608399568 /nfs/dbraw/zinc/39/95/68/608399568.db2.gz AFZKQYKYPSSAAS-UHFFFAOYSA-N 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/nfs/dbraw/zinc/58/81/56/608588156.db2.gz SMUUDDIFJTULMN-JTQLQIEISA-N -1 3 302.338 2.932 20 30 DFEDHM C=CCCC[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000823894536 608588157 /nfs/dbraw/zinc/58/81/57/608588157.db2.gz SMUUDDIFJTULMN-JTQLQIEISA-N -1 3 302.338 2.932 20 30 DFEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1cc(Cl)ccn1 ZINC000826371538 609308414 /nfs/dbraw/zinc/30/84/14/609308414.db2.gz JWUPEAUUQRJLEG-UHFFFAOYSA-N -1 3 317.715 2.500 20 30 DFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccnc(Cl)c1 ZINC000826400328 609443052 /nfs/dbraw/zinc/44/30/52/609443052.db2.gz VZMSXONZJYNNKS-IWQZZHSRSA-N -1 3 317.761 2.873 20 30 DFEDHM CCC(N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1CCOC1 ZINC000825029384 609473475 /nfs/dbraw/zinc/47/34/75/609473475.db2.gz QZVQCCNHPXAWOM-VIFPVBQESA-N -1 3 320.784 2.735 20 30 DFEDHM CCC(N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1CCOC1 ZINC000825029384 609473477 /nfs/dbraw/zinc/47/34/77/609473477.db2.gz QZVQCCNHPXAWOM-VIFPVBQESA-N -1 3 320.784 2.735 20 30 DFEDHM N#Cc1cccc(CNc2ccc(F)c(-c3nnn[n-]3)c2)c1F ZINC000826386552 609480427 /nfs/dbraw/zinc/48/04/27/609480427.db2.gz JKIOPDSTMGKYLA-UHFFFAOYSA-N -1 3 312.283 2.629 20 30 DFEDHM N#Cc1cccc(CNc2ccc(F)c(-c3nn[n-]n3)c2)c1F ZINC000826386552 609480429 /nfs/dbraw/zinc/48/04/29/609480429.db2.gz JKIOPDSTMGKYLA-UHFFFAOYSA-N -1 3 312.283 2.629 20 30 DFEDHM C[C@]1(C#N)CCCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000824779804 609600364 /nfs/dbraw/zinc/60/03/64/609600364.db2.gz WSYMPWGIPJBULO-CQSZACIVSA-N -1 3 302.769 2.650 20 30 DFEDHM C[C@]1(C#N)CCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000824779804 609600366 /nfs/dbraw/zinc/60/03/66/609600366.db2.gz WSYMPWGIPJBULO-CQSZACIVSA-N -1 3 302.769 2.650 20 30 DFEDHM C[C@@]1(C#N)CCCN(c2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000824776979 609600562 /nfs/dbraw/zinc/60/05/62/609600562.db2.gz GHOZCUADVAVMCR-KRWDZBQOSA-N -1 3 319.372 2.545 20 30 DFEDHM C[C@@]1(C#N)CCCN(c2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC000824776979 609600563 /nfs/dbraw/zinc/60/05/63/609600563.db2.gz GHOZCUADVAVMCR-KRWDZBQOSA-N -1 3 319.372 2.545 20 30 DFEDHM CCN(c1cccc([O-])c1)S(=O)(=O)c1ccc(C#N)s1 ZINC000230348172 398356717 /nfs/dbraw/zinc/35/67/17/398356717.db2.gz JTULWTDNHTZCTM-UHFFFAOYSA-N -1 3 308.384 2.541 20 30 DFEDHM O=C(COCC1CC1)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000081731194 398368267 /nfs/dbraw/zinc/36/82/67/398368267.db2.gz WRXSEOXUBVUHPU-UHFFFAOYSA-N -1 3 308.288 2.765 20 30 DFEDHM O=C(COCC1CC1)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000081731194 398368269 /nfs/dbraw/zinc/36/82/69/398368269.db2.gz WRXSEOXUBVUHPU-UHFFFAOYSA-N -1 3 308.288 2.765 20 30 DFEDHM O=C(COCC1CC1)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000081731194 398368271 /nfs/dbraw/zinc/36/82/71/398368271.db2.gz WRXSEOXUBVUHPU-UHFFFAOYSA-N -1 3 308.288 2.765 20 30 DFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC1CCC(F)CC1 ZINC000592104939 398384448 /nfs/dbraw/zinc/38/44/48/398384448.db2.gz BHVPAXYDFXXSSZ-UHFFFAOYSA-N -1 3 314.357 2.504 20 30 DFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000592108727 398385318 /nfs/dbraw/zinc/38/53/18/398385318.db2.gz UVNPIEBKQSWWJT-GARJFASQSA-N -1 3 310.806 2.679 20 30 DFEDHM Cc1nc(-c2ccc(NC(=O)N3CC(CC#N)C3)cc2)cc(=O)[n-]1 ZINC000596457350 398417091 /nfs/dbraw/zinc/41/70/91/398417091.db2.gz MYDZKAYFZCDHAE-UHFFFAOYSA-N -1 3 323.356 2.535 20 30 DFEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H](C)C(C)C ZINC000067113503 398418071 /nfs/dbraw/zinc/41/80/71/398418071.db2.gz OEFBXMXYVAAKOP-CQSZACIVSA-N -1 3 317.433 2.689 20 30 DFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCC1(F)F ZINC000588180373 398488241 /nfs/dbraw/zinc/48/82/41/398488241.db2.gz UXXYYMFPTXPFIJ-CYBMUJFWSA-N -1 3 323.343 2.512 20 30 DFEDHM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000063878620 282455710 /nfs/dbraw/zinc/45/57/10/282455710.db2.gz CIFPIRCPPDCAOZ-UHFFFAOYSA-N -1 3 314.366 2.602 20 30 DFEDHM N#CC1(CC(=O)Nc2nnc(-c3ccccn3)[n-]2)CCCCC1 ZINC000596894855 398524661 /nfs/dbraw/zinc/52/46/61/398524661.db2.gz ORXDNLICIUILQM-UHFFFAOYSA-N -1 3 310.361 2.669 20 30 DFEDHM N#CC1(CC(=O)Nc2nc(-c3ccccn3)n[n-]2)CCCCC1 ZINC000596894855 398524662 /nfs/dbraw/zinc/52/46/62/398524662.db2.gz ORXDNLICIUILQM-UHFFFAOYSA-N -1 3 310.361 2.669 20 30 DFEDHM N#CC1(CC(=O)Nc2n[n-]c(-c3ccccn3)n2)CCCCC1 ZINC000596894855 398524663 /nfs/dbraw/zinc/52/46/63/398524663.db2.gz ORXDNLICIUILQM-UHFFFAOYSA-N -1 3 310.361 2.669 20 30 DFEDHM Cc1ccc([O-])c(CN2CCCN(c3ccccc3C#N)CC2)n1 ZINC000091792318 398546027 /nfs/dbraw/zinc/54/60/27/398546027.db2.gz WCIZQEQXTDGFQC-UHFFFAOYSA-N -1 3 322.412 2.680 20 30 DFEDHM N#CC1([N-]S(=O)(=O)Cc2cc(Cl)sc2Cl)CC1 ZINC000593276214 398586797 /nfs/dbraw/zinc/58/67/97/398586797.db2.gz PBMRYFPGQCGNOB-UHFFFAOYSA-N -1 3 311.215 2.530 20 30 DFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2c(O)cccc2Cl)cc1 ZINC000590597557 398637736 /nfs/dbraw/zinc/63/77/36/398637736.db2.gz CDUDCVGIZGYQRI-UHFFFAOYSA-N -1 3 308.746 2.718 20 30 DFEDHM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593532420 398653291 /nfs/dbraw/zinc/65/32/91/398653291.db2.gz VQDOEXGVEADIDM-SECBINFHSA-N -1 3 312.441 2.591 20 30 DFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1C[C@@H]1C1CCCCC1 ZINC000593553168 398655213 /nfs/dbraw/zinc/65/52/13/398655213.db2.gz QONYYGPWNDOSKP-NEPJUHHUSA-N -1 3 310.444 2.867 20 30 DFEDHM Cc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)o1 ZINC000593558398 398655917 /nfs/dbraw/zinc/65/59/17/398655917.db2.gz WQEVGMNBWIEHMP-JTQLQIEISA-N -1 3 324.427 2.821 20 30 DFEDHM N#CC1(C[N-]S(=O)(=O)c2cccc(Cl)c2F)CCCC1 ZINC000593622130 398663339 /nfs/dbraw/zinc/66/33/39/398663339.db2.gz XMCDBQOZWPTZHO-UHFFFAOYSA-N -1 3 316.785 2.841 20 30 DFEDHM COCCN(CCC#N)Cc1cccc([O-])c1Br ZINC000590952815 398707032 /nfs/dbraw/zinc/70/70/32/398707032.db2.gz LPYCMZBAMBTSHG-UHFFFAOYSA-N -1 3 313.195 2.517 20 30 DFEDHM Cc1nsc([N-]C(=O)Nc2cnn(C)c2C(F)F)c1C#N ZINC000590966317 398710435 /nfs/dbraw/zinc/71/04/35/398710435.db2.gz KJFSHFURVSFGNR-UHFFFAOYSA-N -1 3 312.305 2.638 20 30 DFEDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C#N)cc2)c(C)c1 ZINC000047454273 398750234 /nfs/dbraw/zinc/75/02/34/398750234.db2.gz LNYBMKTWKYGIRC-UHFFFAOYSA-N -1 3 316.382 2.985 20 30 DFEDHM C=C(C)C[C@@H](C)C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000184185020 199684419 /nfs/dbraw/zinc/68/44/19/199684419.db2.gz AICDPDLPSJNMFZ-GFCCVEGCSA-N -1 3 310.419 2.907 20 30 DFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000591649319 398778435 /nfs/dbraw/zinc/77/84/35/398778435.db2.gz ILXLARSIJXZEER-CQSZACIVSA-N -1 3 314.838 2.740 20 30 DFEDHM CCOc1ccc(C([O-])=C(C#N)c2ccccn2)cc1[N+](=O)[O-] ZINC000049456592 398795173 /nfs/dbraw/zinc/79/51/73/398795173.db2.gz AOCTZSLLDHCTMU-GFCCVEGCSA-N -1 3 311.297 2.879 20 30 DFEDHM C=CCC1(C(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)CCC1 ZINC000276848084 213131439 /nfs/dbraw/zinc/13/14/39/213131439.db2.gz ZOBGUKHEHKBIJF-LBPRGKRZSA-N -1 3 312.410 2.694 20 30 DFEDHM C[C@@H](NCc1ccc(C#N)cc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594539581 398817428 /nfs/dbraw/zinc/81/74/28/398817428.db2.gz DJLBEAYFQUGBTD-DDTOSNHZSA-N -1 3 304.365 2.922 20 30 DFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C[C@@H]1CC1(C)C ZINC000598565247 398832941 /nfs/dbraw/zinc/83/29/41/398832941.db2.gz NFPBUPSZNLPRSE-ZDUSSCGKSA-N -1 3 315.417 2.713 20 30 DFEDHM COc1cccc(OCC(=O)Nc2nnc(-c3ccco3)[n-]2)c1 ZINC000076462442 398857181 /nfs/dbraw/zinc/85/71/81/398857181.db2.gz WOCSUUKACSIPFR-UHFFFAOYSA-N -1 3 314.301 2.740 20 30 DFEDHM COc1cccc(OCC(=O)Nc2nc(-c3ccco3)n[n-]2)c1 ZINC000076462442 398857182 /nfs/dbraw/zinc/85/71/82/398857182.db2.gz WOCSUUKACSIPFR-UHFFFAOYSA-N -1 3 314.301 2.740 20 30 DFEDHM COc1cccc(OCC(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000076462442 398857184 /nfs/dbraw/zinc/85/71/84/398857184.db2.gz WOCSUUKACSIPFR-UHFFFAOYSA-N -1 3 314.301 2.740 20 30 DFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1C#N ZINC000594835340 398862284 /nfs/dbraw/zinc/86/22/84/398862284.db2.gz OTGBQCZTACUCKS-GXFFZTMASA-N -1 3 323.805 2.572 20 30 DFEDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CC1(F)F ZINC000594849897 398862545 /nfs/dbraw/zinc/86/25/45/398862545.db2.gz AVVNTUSLWFFHJI-LLVKDONJSA-N -1 3 320.748 2.535 20 30 DFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1C#N ZINC000594834797 398861534 /nfs/dbraw/zinc/86/15/34/398861534.db2.gz LKBITRBEZJQJSH-MFKMUULPSA-N -1 3 323.805 2.572 20 30 DFEDHM CC(C)Oc1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cn1 ZINC000053527488 398876041 /nfs/dbraw/zinc/87/60/41/398876041.db2.gz PKWOPITXQYTXTI-UHFFFAOYSA-N -1 3 324.344 2.685 20 30 DFEDHM CC(C)Oc1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cn1 ZINC000053527488 398876044 /nfs/dbraw/zinc/87/60/44/398876044.db2.gz PKWOPITXQYTXTI-UHFFFAOYSA-N -1 3 324.344 2.685 20 30 DFEDHM CC(C)Oc1ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cn1 ZINC000053527488 398876045 /nfs/dbraw/zinc/87/60/45/398876045.db2.gz PKWOPITXQYTXTI-UHFFFAOYSA-N -1 3 324.344 2.685 20 30 DFEDHM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3cnn(C)n3)sc2[C@H](C)C1 ZINC000297850270 291161453 /nfs/dbraw/zinc/16/14/53/291161453.db2.gz NUABKMSZQLUPGC-RKDXNWHRSA-N -1 3 315.402 2.686 20 30 DFEDHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cccc(C#N)c2)o1 ZINC000077617224 398913612 /nfs/dbraw/zinc/91/36/12/398913612.db2.gz OMUFGNJNFMUBQA-IAQYHMDHSA-N -1 3 316.382 2.753 20 30 DFEDHM CC([N-]S(=O)(=O)c1ccc(C#N)cc1F)(C1CC1)C1CC1 ZINC000595364238 398927846 /nfs/dbraw/zinc/92/78/46/398927846.db2.gz MECCUAWUWCTODM-UHFFFAOYSA-N -1 3 308.378 2.554 20 30 DFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C(F)(F)F)nc2)nc(C)n1 ZINC000078736808 398984096 /nfs/dbraw/zinc/98/40/96/398984096.db2.gz AURGTOYWSRAGFY-LLVKDONJSA-N -1 3 320.274 2.997 20 30 DFEDHM N#CCCCOc1cccnc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000171059807 399031671 /nfs/dbraw/zinc/03/16/71/399031671.db2.gz DFWDKGGTBIHEIP-UHFFFAOYSA-N -1 3 316.273 2.518 20 30 DFEDHM C[C@H](CC(=O)N=C1[N-]C(=O)CN1)c1ccc(C(F)(F)F)cc1 ZINC000057433272 399043109 /nfs/dbraw/zinc/04/31/09/399043109.db2.gz INSAFEYAOLZYII-MRVPVSSYSA-N -1 3 313.279 2.641 20 30 DFEDHM Cc1cc(=O)[n-]c([C@H](C)N2CCc3c(CC#N)cccc3C2)n1 ZINC000599677514 399059326 /nfs/dbraw/zinc/05/93/26/399059326.db2.gz IAOKCLXDZUGRPL-ZDUSSCGKSA-N -1 3 308.385 2.676 20 30 DFEDHM N#CCC1(CNC(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000599872899 399107586 /nfs/dbraw/zinc/10/75/86/399107586.db2.gz FLTUKZFTKNJSQP-UHFFFAOYSA-N -1 3 309.163 2.578 20 30 DFEDHM CC(C)(CC#N)CNC(=O)c1cc([O-])cc(Br)c1 ZINC000600001597 399122359 /nfs/dbraw/zinc/12/23/59/399122359.db2.gz NLFHOVGNQHJZON-UHFFFAOYSA-N -1 3 311.179 2.824 20 30 DFEDHM CC(C)c1cnc(S(=O)(=O)Cc2ccc(C#N)c(F)c2)[n-]1 ZINC000600892284 399167727 /nfs/dbraw/zinc/16/77/27/399167727.db2.gz KWWOCWWXDVBSSZ-UHFFFAOYSA-N -1 3 307.350 2.518 20 30 DFEDHM CC(C)c1c[n-]c(S(=O)(=O)Cc2ccc(C#N)c(F)c2)n1 ZINC000600892284 399167730 /nfs/dbraw/zinc/16/77/30/399167730.db2.gz KWWOCWWXDVBSSZ-UHFFFAOYSA-N -1 3 307.350 2.518 20 30 DFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000622179674 399216379 /nfs/dbraw/zinc/21/63/79/399216379.db2.gz IDJADMMZPJXDIJ-BETUJISGSA-N -1 3 324.380 2.860 20 30 DFEDHM CCc1cc2c(CN(C)C[C@H](C)C#N)cc(=O)oc2cc1[O-] ZINC000064797015 399232862 /nfs/dbraw/zinc/23/28/62/399232862.db2.gz VUEYMQLKIPTZQC-LLVKDONJSA-N -1 3 300.358 2.652 20 30 DFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC23CC3)c(Cl)c1 ZINC000601480860 399293279 /nfs/dbraw/zinc/29/32/79/399293279.db2.gz NNYDSZROTVUOPP-CYBMUJFWSA-N -1 3 310.806 2.823 20 30 DFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCC12CC2 ZINC000601706620 399325684 /nfs/dbraw/zinc/32/56/84/399325684.db2.gz YHKRPKNGPVQCLO-OAHLLOKOSA-N -1 3 313.401 2.657 20 30 DFEDHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)[C@H]1C ZINC000610080692 399341644 /nfs/dbraw/zinc/34/16/44/399341644.db2.gz HOJMQCNDHNTGNB-UHIISALHSA-N -1 3 310.394 2.800 20 30 DFEDHM N#Cc1ccc(N2[N-]C(=O)C3(CCC3)CC2=O)c(C(F)(F)F)c1 ZINC000601947041 399366027 /nfs/dbraw/zinc/36/60/27/399366027.db2.gz DOZWAJJUSUJLBW-UHFFFAOYSA-N -1 3 323.274 2.515 20 30 DFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000611114276 399434905 /nfs/dbraw/zinc/43/49/05/399434905.db2.gz DOXHBLYUXMIULT-NSHDSACASA-N -1 3 304.774 2.696 20 30 DFEDHM CCCn1cc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)nn1 ZINC000611225837 399448124 /nfs/dbraw/zinc/44/81/24/399448124.db2.gz DNZXBDBILCXFOW-UHFFFAOYSA-N -1 3 315.402 2.752 20 30 DFEDHM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccc(OC)cc1F ZINC000625326656 399521176 /nfs/dbraw/zinc/52/11/76/399521176.db2.gz ZVHNRKKSKWJNRI-UHFFFAOYSA-N -1 3 301.383 2.715 20 30 DFEDHM CCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000286498495 219020681 /nfs/dbraw/zinc/02/06/81/219020681.db2.gz LXRQWCOSFNZOPP-CQSZACIVSA-N -1 3 304.371 2.971 20 30 DFEDHM CC1([N-]S(=O)(=O)c2ccccc2C#N)CCC(F)(F)CC1 ZINC000612137815 399590686 /nfs/dbraw/zinc/59/06/86/399590686.db2.gz GNFGLDYQUUGNFA-UHFFFAOYSA-N -1 3 314.357 2.805 20 30 DFEDHM COc1cc(OC)cc(C(=O)Nc2nnc(-c3ccco3)[n-]2)c1 ZINC000073973488 542467215 /nfs/dbraw/zinc/46/72/15/542467215.db2.gz YYNKLESASITJCV-UHFFFAOYSA-N -1 3 314.301 2.718 20 30 DFEDHM COc1cc(OC)cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)c1 ZINC000073973488 542467219 /nfs/dbraw/zinc/46/72/19/542467219.db2.gz YYNKLESASITJCV-UHFFFAOYSA-N -1 3 314.301 2.718 20 30 DFEDHM COc1cc(OC)cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000073973488 542467222 /nfs/dbraw/zinc/46/72/22/542467222.db2.gz YYNKLESASITJCV-UHFFFAOYSA-N -1 3 314.301 2.718 20 30 DFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccncc2F)cc1Cl ZINC000120848387 195250211 /nfs/dbraw/zinc/25/02/11/195250211.db2.gz APYCPJRNEJGTHP-UHFFFAOYSA-N -1 3 311.725 2.547 20 30 DFEDHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(c3ccc(C#N)cn3)CC2)n1 ZINC000602906381 399622143 /nfs/dbraw/zinc/62/21/43/399622143.db2.gz GWGRMYAYMDAKSD-CYBMUJFWSA-N -1 3 323.400 2.698 20 30 DFEDHM C=CCN(C(=O)CCCc1ccc([O-])c(F)c1)[C@H](C)COC ZINC000617582795 399749139 /nfs/dbraw/zinc/74/91/39/399749139.db2.gz VLAHHPMFNMCYHG-CYBMUJFWSA-N -1 3 309.381 2.904 20 30 DFEDHM CC1(C)[C@H](CS(=O)(=O)[N-]CC2(C#N)CCCCC2)C1(F)F ZINC000603382756 399760765 /nfs/dbraw/zinc/76/07/65/399760765.db2.gz KHKMMVFHXBRTOZ-NSHDSACASA-N -1 3 320.405 2.671 20 30 DFEDHM COc1cc(CN2CCC[C@H](CC(=O)[O-])CC2)ccc1C#N ZINC000603431673 399775594 /nfs/dbraw/zinc/77/55/94/399775594.db2.gz NEIMHVZESHAXMJ-ZDUSSCGKSA-N -1 3 302.374 2.644 20 30 DFEDHM C=CC[C@@H]1CCCN(C(=O)c2cc(NC(C)=O)ccc2[O-])C1 ZINC000617782751 399798519 /nfs/dbraw/zinc/79/85/19/399798519.db2.gz LXWJYZBDHFSNRM-CYBMUJFWSA-N -1 3 302.374 2.779 20 30 DFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000330321190 543111707 /nfs/dbraw/zinc/11/17/07/543111707.db2.gz SCQRENBQEQVHME-CJNGLKHVSA-N -1 3 313.401 2.609 20 30 DFEDHM N#Cc1cc(NC(=O)c2cnc3ccccc3c2[O-])ccc1F ZINC000076881093 145194351 /nfs/dbraw/zinc/19/43/51/145194351.db2.gz AXFCZZNOYLQGPP-UHFFFAOYSA-N -1 3 307.284 2.791 20 30 DFEDHM C=CCCC(C)(C)CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000633963780 399967092 /nfs/dbraw/zinc/96/70/92/399967092.db2.gz SYWKLCIFBGUJIG-UHFFFAOYSA-N -1 3 324.446 2.780 20 30 DFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2)s1 ZINC000230334192 146014324 /nfs/dbraw/zinc/01/43/24/146014324.db2.gz VYDHFQARNHMDQQ-UHFFFAOYSA-N -1 3 312.803 2.752 20 30 DFEDHM Cc1cc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)ccc1[O-] ZINC000354618923 147093588 /nfs/dbraw/zinc/09/35/88/147093588.db2.gz ZGAQDFGQJDOSBN-GOSISDBHSA-N -1 3 322.364 2.786 20 30 DFEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2)cc1F ZINC000357466089 148004109 /nfs/dbraw/zinc/00/41/09/148004109.db2.gz JDWMVCMDXDJPDP-UHFFFAOYSA-N -1 3 308.309 2.778 20 30 DFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000054178414 425889520 /nfs/dbraw/zinc/88/95/20/425889520.db2.gz DCCSZWCIQMZWIM-VIFPVBQESA-N -1 3 307.202 2.964 20 30 DFEDHM C=CCCCS(=O)(=O)[N-]c1ccc(Br)nc1 ZINC000291836849 335084319 /nfs/dbraw/zinc/08/43/19/335084319.db2.gz GUXONJADPPCFMB-UHFFFAOYSA-N -1 3 305.197 2.552 20 30 DFEDHM COCC#CCSc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000677804156 544543649 /nfs/dbraw/zinc/54/36/49/544543649.db2.gz BZFIGPGHFMIFLY-UHFFFAOYSA-N -1 3 323.805 2.779 20 30 DFEDHM COc1cc(C)cc(C(=O)Nc2ccc(F)c(C#N)c2)c1[O-] ZINC000106917117 269768560 /nfs/dbraw/zinc/76/85/60/269768560.db2.gz AMTAUKGFESJIRM-UHFFFAOYSA-N -1 3 300.289 2.972 20 30 DFEDHM Cc1ccc(C(=O)N2CCN(c3ccccc3C#N)CC2)c([O-])c1 ZINC000155628124 425923275 /nfs/dbraw/zinc/92/32/75/425923275.db2.gz QMRLOANEASMZEQ-UHFFFAOYSA-N -1 3 321.380 2.535 20 30 DFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC[C@H]1CC=CCC1 ZINC000528530263 269954348 /nfs/dbraw/zinc/95/43/48/269954348.db2.gz NQVRMLXNHZMDQC-LBPRGKRZSA-N -1 3 308.378 2.722 20 30 DFEDHM N#Cc1ccc(CN2CCC(c3n[n-]c(=O)o3)CC2)c(Cl)c1 ZINC000450918336 270001425 /nfs/dbraw/zinc/00/14/25/270001425.db2.gz IMDPMTXLEZRHIR-UHFFFAOYSA-N -1 3 318.764 2.680 20 30 DFEDHM N#CC(=C([O-])c1ccc(OCC(F)F)nc1)c1ccccn1 ZINC000156027223 425932615 /nfs/dbraw/zinc/93/26/15/425932615.db2.gz ZZFCOXONEZHSMN-NSHDSACASA-N -1 3 303.268 2.611 20 30 DFEDHM CC(=O)c1ccc(C(=O)N(C)Cc2cccc(C#N)c2)cc1[O-] ZINC000436534245 266847180 /nfs/dbraw/zinc/84/71/80/266847180.db2.gz WIZPDKNPTOTJCX-UHFFFAOYSA-N -1 3 308.337 2.739 20 30 DFEDHM COc1cnc(C(=O)[N-]c2scc(C(C)(C)C)c2C#N)nc1 ZINC000410933450 266905666 /nfs/dbraw/zinc/90/56/66/266905666.db2.gz XSJIEGFLMNIRQN-UHFFFAOYSA-N -1 3 316.386 2.968 20 30 DFEDHM CCCO[N-]C(=O)Nc1ccc(NC(=O)OCC)c(C#N)c1 ZINC000496165196 267026765 /nfs/dbraw/zinc/02/67/65/267026765.db2.gz HAHILRQHOYRWNM-UHFFFAOYSA-N -1 3 306.322 2.590 20 30 DFEDHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435433389 267215551 /nfs/dbraw/zinc/21/55/51/267215551.db2.gz RYLSRIHNUFMHTN-CYBMUJFWSA-N -1 3 320.439 2.919 20 30 DFEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2n[n-]nc2c1 ZINC000045404195 425860810 /nfs/dbraw/zinc/86/08/10/425860810.db2.gz BIPUHKJOJCQNAS-UHFFFAOYSA-N -1 3 319.368 2.882 20 30 DFEDHM O=C(COc1ccc(F)cc1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000047343224 425869367 /nfs/dbraw/zinc/86/93/67/425869367.db2.gz PJJCBADCNMBVKL-UHFFFAOYSA-N -1 3 313.292 2.673 20 30 DFEDHM O=C(COc1ccc(F)cc1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000047343224 425869368 /nfs/dbraw/zinc/86/93/68/425869368.db2.gz PJJCBADCNMBVKL-UHFFFAOYSA-N -1 3 313.292 2.673 20 30 DFEDHM O=C(COc1ccc(F)cc1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000047343224 425869369 /nfs/dbraw/zinc/86/93/69/425869369.db2.gz PJJCBADCNMBVKL-UHFFFAOYSA-N -1 3 313.292 2.673 20 30 DFEDHM N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc([O-])cc2F)cc1 ZINC000350827041 268092265 /nfs/dbraw/zinc/09/22/65/268092265.db2.gz OKLNNAYVRHMXAF-CYBMUJFWSA-N -1 3 309.300 2.724 20 30 DFEDHM Cc1scnc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000529551155 268109339 /nfs/dbraw/zinc/10/93/39/268109339.db2.gz XMMZDZVAPRDNHG-UHFFFAOYSA-N -1 3 316.386 2.612 20 30 DFEDHM Cn1cc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1C#N ZINC000417552740 268129121 /nfs/dbraw/zinc/12/91/21/268129121.db2.gz DYDIVSYCJSBQPR-HNNXBMFYSA-N -1 3 317.776 2.856 20 30 DFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC1CC(F)(F)C1 ZINC000489986656 268159888 /nfs/dbraw/zinc/15/98/88/268159888.db2.gz BVWGJHVYXIGPKL-UHFFFAOYSA-N -1 3 320.748 2.535 20 30 DFEDHM N#Cc1ccc(C2(NC(=O)c3ccccc3[O-])CCOCC2)cc1 ZINC000530062969 268211183 /nfs/dbraw/zinc/21/11/83/268211183.db2.gz ZOHPKMLZJWOODU-UHFFFAOYSA-N -1 3 322.364 2.700 20 30 DFEDHM N#Cc1ccc(CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)c(Cl)c1 ZINC000450898545 268217754 /nfs/dbraw/zinc/21/77/54/268217754.db2.gz UAPXLUBRSKAPHQ-GFCCVEGCSA-N -1 3 318.764 2.680 20 30 DFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3cccc(F)c3)CC2)s1 ZINC000435430919 268255160 /nfs/dbraw/zinc/25/51/60/268255160.db2.gz FZOBWVFZNCRLFY-UHFFFAOYSA-N -1 3 322.386 2.726 20 30 DFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCc3ccc(F)cc32)s1 ZINC000517008230 268259708 /nfs/dbraw/zinc/25/97/08/268259708.db2.gz UDPZVXHROSTQMI-ZDUSSCGKSA-N -1 3 322.386 2.725 20 30 DFEDHM C=C(C)COCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000125741538 425987996 /nfs/dbraw/zinc/98/79/96/425987996.db2.gz JRZPSQRDRSETLU-UHFFFAOYSA-N -1 3 324.229 2.864 20 30 DFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000126259658 426012174 /nfs/dbraw/zinc/01/21/74/426012174.db2.gz ZOPRKIUGXFMBSO-VIFPVBQESA-N -1 3 318.420 2.988 20 30 DFEDHM N#CC(=C([O-])c1cccc2c1OCO2)c1nc2ccccc2[nH]1 ZINC000077429529 426133392 /nfs/dbraw/zinc/13/33/92/426133392.db2.gz GWZDAXWGVFQHBG-NSHDSACASA-N -1 3 305.293 2.782 20 30 DFEDHM C=CCNc1ncc(C(=O)NCc2ccc([O-])c(F)c2)s1 ZINC000136296295 426239887 /nfs/dbraw/zinc/23/98/87/426239887.db2.gz XVGOKJHXDLECSJ-UHFFFAOYSA-N -1 3 307.350 2.516 20 30 DFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000089495601 426294136 /nfs/dbraw/zinc/29/41/36/426294136.db2.gz ICPLTESLJPUCOP-UHFFFAOYSA-N -1 3 312.439 2.605 20 30 DFEDHM CC(C)Oc1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1C#N ZINC000122066567 426358183 /nfs/dbraw/zinc/35/81/83/426358183.db2.gz ICGQIGCOPAWBPP-UHFFFAOYSA-N -1 3 321.340 2.869 20 30 DFEDHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000094855491 426361364 /nfs/dbraw/zinc/36/13/64/426361364.db2.gz OPPWFFGIMPQYMV-UHFFFAOYSA-N -1 3 306.318 2.507 20 30 DFEDHM N#CCC[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccccc1 ZINC000153216338 426376204 /nfs/dbraw/zinc/37/62/04/426376204.db2.gz ONWOFVDZCRAVSX-AWEZNQCLSA-N -1 3 305.341 2.733 20 30 DFEDHM Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]c1sccc1C#N ZINC000176827905 426418755 /nfs/dbraw/zinc/41/87/55/426418755.db2.gz NXOVGZUTJIEJRF-UHFFFAOYSA-N -1 3 313.342 2.569 20 30 DFEDHM N#CC1([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000123203963 426420688 /nfs/dbraw/zinc/42/06/88/426420688.db2.gz YDUZRXKAGJXQTG-UHFFFAOYSA-N -1 3 324.711 2.693 20 30 DFEDHM N#Cc1ccc(F)c(CNC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000154970829 426461238 /nfs/dbraw/zinc/46/12/38/426461238.db2.gz MXQMLNOFOBDAKK-UHFFFAOYSA-N -1 3 318.735 2.915 20 30 DFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000281586216 426722748 /nfs/dbraw/zinc/72/27/48/426722748.db2.gz VFBBUJMWJCKGMF-PXAZEXFGSA-N -1 3 312.369 2.651 20 30 DFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)CC1(C)C ZINC000266948713 426803408 /nfs/dbraw/zinc/80/34/08/426803408.db2.gz ZBNKHXKOCCTXFK-LLVKDONJSA-N -1 3 315.417 2.855 20 30 DFEDHM C=CCOCCCC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000267207229 426846869 /nfs/dbraw/zinc/84/68/69/426846869.db2.gz RJEPNWOJWILSJC-UHFFFAOYSA-N -1 3 322.315 2.671 20 30 DFEDHM C=CCOCCCC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000267207229 426846874 /nfs/dbraw/zinc/84/68/74/426846874.db2.gz RJEPNWOJWILSJC-UHFFFAOYSA-N -1 3 322.315 2.671 20 30 DFEDHM C=CCOCCCC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000267207229 426846879 /nfs/dbraw/zinc/84/68/79/426846879.db2.gz RJEPNWOJWILSJC-UHFFFAOYSA-N -1 3 322.315 2.671 20 30 DFEDHM N#Cc1cc2c(nc1[N-]C(=O)c1cc(C3CC3)no1)CCCC2 ZINC000281925641 426794168 /nfs/dbraw/zinc/79/41/68/426794168.db2.gz SCPFFGZQXMKNJF-UHFFFAOYSA-N -1 3 308.341 2.950 20 30 DFEDHM CCO[C@H]1C[C@H](/N=C/c2c([O-])c(C)ncc2CO)C1(CC)CC ZINC000267468492 426880231 /nfs/dbraw/zinc/88/02/31/426880231.db2.gz XCYQCQBDZGIWAP-NPYWETPNSA-N -1 3 320.433 2.991 20 30 DFEDHM CCC1(CC)[C@H](/N=C/c2c([O-])c(C)ncc2CO)C[C@H]1OC ZINC000268706929 427096460 /nfs/dbraw/zinc/09/64/60/427096460.db2.gz BZBBNAUPPWPSBK-XQQXVPSESA-N -1 3 306.406 2.601 20 30 DFEDHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)CCC2 ZINC000292139019 427104738 /nfs/dbraw/zinc/10/47/38/427104738.db2.gz YSJRANSOHHWJNN-OAHLLOKOSA-N -1 3 316.382 2.816 20 30 DFEDHM C[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230338543 271238701 /nfs/dbraw/zinc/23/87/01/271238701.db2.gz LVXWKXGTTSWAEL-LBPRGKRZSA-N -1 3 320.439 2.919 20 30 DFEDHM C=CCCOCC[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000270227492 427320120 /nfs/dbraw/zinc/32/01/20/427320120.db2.gz MFFNUACVRUIXTQ-UHFFFAOYSA-N -1 3 305.271 2.766 20 30 DFEDHM CSc1c(C(=O)[N-]c2nnc(C(C)(C)C)s2)cnn1C ZINC000331068444 427338365 /nfs/dbraw/zinc/33/83/65/427338365.db2.gz ANIFCDAFAGGMEG-UHFFFAOYSA-N -1 3 311.436 2.927 20 30 DFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CC[C@H](C)C1 ZINC000331089268 427342920 /nfs/dbraw/zinc/34/29/20/427342920.db2.gz UOGFQMRLPQYPEO-FZMZJTMJSA-N -1 3 315.417 2.761 20 30 DFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)c(Cl)c1 ZINC000183555682 427292342 /nfs/dbraw/zinc/29/23/42/427292342.db2.gz YTDHQIVBDWQQIB-LLVKDONJSA-N -1 3 310.806 2.846 20 30 DFEDHM COc1cc(C(=O)NCC2=CCN(C)CC2)cc(Cl)c1[O-] ZINC000331284844 427392419 /nfs/dbraw/zinc/39/24/19/427392419.db2.gz STMVRXNCIHGWSC-UHFFFAOYSA-N -1 3 310.781 2.621 20 30 DFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccco2)no1 ZINC000278043526 427393290 /nfs/dbraw/zinc/39/32/90/427393290.db2.gz YCEFTODYAYYDEI-UHFFFAOYSA-N -1 3 310.313 2.704 20 30 DFEDHM COC(=O)c1ccc(C)c(NC(=O)c2ccc(C#N)cc2)c1[O-] ZINC000184118113 427396427 /nfs/dbraw/zinc/39/64/27/427396427.db2.gz ICFXPMUPWPLJCC-UHFFFAOYSA-N -1 3 310.309 2.611 20 30 DFEDHM C#CCN1CCC(c2nc(-c3ccc([O-])cc3Cl)no2)CC1 ZINC000278131715 427412679 /nfs/dbraw/zinc/41/26/79/427412679.db2.gz KGYXGZWVNTZBOL-UHFFFAOYSA-N -1 3 317.776 2.908 20 30 DFEDHM CC(C)CN(C(=O)NCc1nnc(C(F)(F)F)[n-]1)C(C)C ZINC000331190292 427367126 /nfs/dbraw/zinc/36/71/26/427367126.db2.gz WFLWRSYZLHVGLH-UHFFFAOYSA-N -1 3 307.320 2.604 20 30 DFEDHM CC(C)CN(C(=O)NCc1n[n-]c(C(F)(F)F)n1)C(C)C ZINC000331190292 427367134 /nfs/dbraw/zinc/36/71/34/427367134.db2.gz WFLWRSYZLHVGLH-UHFFFAOYSA-N -1 3 307.320 2.604 20 30 DFEDHM CC(C)CN(C(=O)NCc1nc(C(F)(F)F)n[n-]1)C(C)C ZINC000331190292 427367140 /nfs/dbraw/zinc/36/71/40/427367140.db2.gz WFLWRSYZLHVGLH-UHFFFAOYSA-N -1 3 307.320 2.604 20 30 DFEDHM Cc1cc(S(=O)(=O)[N-][C@]2(C#N)CC2(C)C)c(Cl)cc1F ZINC000331974027 427487122 /nfs/dbraw/zinc/48/71/22/427487122.db2.gz NTPZMOIDSAKCIR-ZDUSSCGKSA-N -1 3 316.785 2.758 20 30 DFEDHM N#Cc1ccc(OC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000264057697 427646854 /nfs/dbraw/zinc/64/68/54/427646854.db2.gz ZRWCXLOTMYZUGU-UHFFFAOYSA-N -1 3 322.364 2.947 20 30 DFEDHM C[C@H]1CCc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000287667343 427666122 /nfs/dbraw/zinc/66/61/22/427666122.db2.gz DBJIGMASSZBJFR-ZBEGNZNMSA-N -1 3 316.382 2.753 20 30 DFEDHM CCOc1ccccc1[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344390598 272326088 /nfs/dbraw/zinc/32/60/88/272326088.db2.gz WSWBRVDVMAGMMW-NSHDSACASA-N -1 3 320.370 2.589 20 30 DFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(-c3ncon3)cc2)nc(C)n1 ZINC000337195665 427813638 /nfs/dbraw/zinc/81/36/38/427813638.db2.gz WYFGNQPPGNOJEX-CQSZACIVSA-N -1 3 319.324 2.634 20 30 DFEDHM N#Cc1cc(F)c(NCc2nnc(C(F)(F)F)[n-]2)c(F)c1 ZINC000359703542 427979635 /nfs/dbraw/zinc/97/96/35/427979635.db2.gz BQOPDDVWKNQDBR-UHFFFAOYSA-N -1 3 303.194 2.585 20 30 DFEDHM N#Cc1cc(F)c(NCc2n[n-]c(C(F)(F)F)n2)c(F)c1 ZINC000359703542 427979649 /nfs/dbraw/zinc/97/96/49/427979649.db2.gz BQOPDDVWKNQDBR-UHFFFAOYSA-N -1 3 303.194 2.585 20 30 DFEDHM N#Cc1cc(F)c(NCc2nc(C(F)(F)F)n[n-]2)c(F)c1 ZINC000359703542 427979656 /nfs/dbraw/zinc/97/96/56/427979656.db2.gz BQOPDDVWKNQDBR-UHFFFAOYSA-N -1 3 303.194 2.585 20 30 DFEDHM N#Cc1cccc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)c1 ZINC000340682599 427927906 /nfs/dbraw/zinc/92/79/06/427927906.db2.gz SMZRFUDOOZFKRA-SFHVURJKSA-N -1 3 310.328 2.713 20 30 DFEDHM COc1cc(-c2noc(COc3ccc(C#N)cc3)n2)ccc1[O-] ZINC000350581146 427949451 /nfs/dbraw/zinc/94/94/51/427949451.db2.gz PRRNWIJJJOSNEF-UHFFFAOYSA-N -1 3 323.308 2.901 20 30 DFEDHM Cn1cc(C(=O)[N-]c2sc(-c3ccccc3)cc2C#N)nn1 ZINC000341373331 428051180 /nfs/dbraw/zinc/05/11/80/428051180.db2.gz SPMRDHSROQGGMT-UHFFFAOYSA-N -1 3 309.354 2.668 20 30 DFEDHM CCOC(=O)c1ccc(NC(=O)c2ccc(C#N)s2)c([O-])c1 ZINC000356296728 428109743 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DFEDHM C#C[C@H](C)OC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000819689123 599625269 /nfs/dbraw/zinc/62/52/69/599625269.db2.gz VQVQFHAJMMCWHR-LBPRGKRZSA-N -1 3 318.336 2.712 20 30 DFEDHM C#C[C@H](C)OC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000819689123 599625270 /nfs/dbraw/zinc/62/52/70/599625270.db2.gz VQVQFHAJMMCWHR-LBPRGKRZSA-N -1 3 318.336 2.712 20 30 DFEDHM C=CCCC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819734202 599633412 /nfs/dbraw/zinc/63/34/12/599633412.db2.gz KBAURGXCEMBDHJ-UHFFFAOYSA-N -1 3 311.267 2.790 20 30 DFEDHM C=CCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819734202 599633413 /nfs/dbraw/zinc/63/34/13/599633413.db2.gz KBAURGXCEMBDHJ-UHFFFAOYSA-N -1 3 311.267 2.790 20 30 DFEDHM C=C(C)CN1CCC(NC(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000736095049 599982167 /nfs/dbraw/zinc/98/21/67/599982167.db2.gz GWPXZSJIECDDCS-UHFFFAOYSA-N -1 3 317.389 2.547 20 30 DFEDHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc2c(c1)OCO2 ZINC000736662260 600591936 /nfs/dbraw/zinc/59/19/36/600591936.db2.gz 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ZINC000737727705 599110336 /nfs/dbraw/zinc/11/03/36/599110336.db2.gz REQKQKQBYZNGFO-UHFFFAOYSA-N -1 3 323.381 2.909 20 30 DFEDHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccsc1 ZINC000735550755 599197079 /nfs/dbraw/zinc/19/70/79/599197079.db2.gz LANWZPSECWGWLX-SECBINFHSA-N -1 3 324.369 2.542 20 30 DFEDHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccsc1 ZINC000735550755 599197081 /nfs/dbraw/zinc/19/70/81/599197081.db2.gz LANWZPSECWGWLX-SECBINFHSA-N -1 3 324.369 2.542 20 30 DFEDHM C[C@H]1CCC[C@H](CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1 ZINC000736248552 599198561 /nfs/dbraw/zinc/19/85/61/599198561.db2.gz JCXDQIPBQJWCDN-RYUDHWBXSA-N -1 3 324.388 2.893 20 30 DFEDHM C[C@H]1CCC[C@H](CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1 ZINC000736248552 599198563 /nfs/dbraw/zinc/19/85/63/599198563.db2.gz JCXDQIPBQJWCDN-RYUDHWBXSA-N -1 3 324.388 2.893 20 30 DFEDHM C#CCCCSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823841936 608321070 /nfs/dbraw/zinc/32/10/70/608321070.db2.gz VVYOFXQKZTXELP-UHFFFAOYSA-N -1 3 302.403 2.782 20 30 DFEDHM C#CCCCSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823841936 608321071 /nfs/dbraw/zinc/32/10/71/608321071.db2.gz VVYOFXQKZTXELP-UHFFFAOYSA-N -1 3 302.403 2.782 20 30 DFEDHM CC(N=Nc1c(F)cccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000735450863 599285185 /nfs/dbraw/zinc/28/51/85/599285185.db2.gz HEPKATFPTLZLJT-UHFFFAOYSA-N -1 3 314.299 2.981 20 30 DFEDHM CC(N=Nc1c(F)cccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000735450863 599285187 /nfs/dbraw/zinc/28/51/87/599285187.db2.gz HEPKATFPTLZLJT-UHFFFAOYSA-N -1 3 314.299 2.981 20 30 DFEDHM C#CCOc1ccccc1OCc1ccc(-c2nnn[n-]2)cc1F ZINC000735387578 598426823 /nfs/dbraw/zinc/42/68/23/598426823.db2.gz AENDWCWZQKTTAJ-UHFFFAOYSA-N -1 3 324.315 2.597 20 30 DFEDHM C#CCOc1ccccc1OCc1ccc(-c2nn[n-]n2)cc1F ZINC000735387578 598426824 /nfs/dbraw/zinc/42/68/24/598426824.db2.gz AENDWCWZQKTTAJ-UHFFFAOYSA-N -1 3 324.315 2.597 20 30 DFEDHM N#Cc1ccc(OCc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000737721386 598551120 /nfs/dbraw/zinc/55/11/20/598551120.db2.gz JMQYKXKVSXZGCX-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM N#Cc1ccc(OCc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000737721386 598551121 /nfs/dbraw/zinc/55/11/21/598551121.db2.gz JMQYKXKVSXZGCX-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM Cc1cc(F)ccc1N(CC#N)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737262444 598703752 /nfs/dbraw/zinc/70/37/52/598703752.db2.gz GPWNZRZMPNBLBJ-UHFFFAOYSA-N -1 3 322.347 2.844 20 30 DFEDHM Cc1cc(F)ccc1N(CC#N)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737262444 598703754 /nfs/dbraw/zinc/70/37/54/598703754.db2.gz GPWNZRZMPNBLBJ-UHFFFAOYSA-N -1 3 322.347 2.844 20 30 DFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)COC2 ZINC000819772315 599336358 /nfs/dbraw/zinc/33/63/58/599336358.db2.gz CFCLKXOXHXICOI-UHFFFAOYSA-N -1 3 320.356 2.733 20 30 DFEDHM COc1cccc(O)c1C=N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821872419 599397175 /nfs/dbraw/zinc/39/71/75/599397175.db2.gz MBLHFHNURNYEEQ-VDCVXVNISA-N -1 3 323.356 2.761 20 30 DFEDHM COc1ccc(O)c(C=N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821839625 599400321 /nfs/dbraw/zinc/40/03/21/599400321.db2.gz WLNSWVKTQRSNDO-IPHDDYSGSA-N -1 3 323.356 2.761 20 30 DFEDHM COc1ccc(O)c(C=N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821839625 599400324 /nfs/dbraw/zinc/40/03/24/599400324.db2.gz WLNSWVKTQRSNDO-IPHDDYSGSA-N -1 3 323.356 2.761 20 30 DFEDHM C=CCCCN(C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735412642 599491271 /nfs/dbraw/zinc/49/12/71/599491271.db2.gz GNGFEBGZMFBLCE-LBPRGKRZSA-N -1 3 314.393 2.535 20 30 DFEDHM C=CCCCN(C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735412642 599491272 /nfs/dbraw/zinc/49/12/72/599491272.db2.gz GNGFEBGZMFBLCE-LBPRGKRZSA-N -1 3 314.393 2.535 20 30 DFEDHM N#CC1(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCC1 ZINC000822801446 599696160 /nfs/dbraw/zinc/69/61/60/599696160.db2.gz JMLGZIMAHRSODR-UHFFFAOYSA-N -1 3 316.752 2.543 20 30 DFEDHM N#CC1(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCC1 ZINC000822801446 599696161 /nfs/dbraw/zinc/69/61/61/599696161.db2.gz JMLGZIMAHRSODR-UHFFFAOYSA-N -1 3 316.752 2.543 20 30 DFEDHM C[C@H](CN(Cn1ccc(-c2ccc(C#N)cc2)n1)C1CC1)C(=O)[O-] ZINC000736583529 599932037 /nfs/dbraw/zinc/93/20/37/599932037.db2.gz SRRUJOUZBATNPU-CYBMUJFWSA-N -1 3 324.384 2.564 20 30 DFEDHM C=CCC(CC=C)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823888878 607417373 /nfs/dbraw/zinc/41/73/73/607417373.db2.gz ZJHYTASUHFVXOK-UHFFFAOYSA-N -1 3 323.400 2.740 20 30 DFEDHM C=CCC(CC=C)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823888878 607417375 /nfs/dbraw/zinc/41/73/75/607417375.db2.gz ZJHYTASUHFVXOK-UHFFFAOYSA-N -1 3 323.400 2.740 20 30 DFEDHM N#Cc1c(F)cccc1OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826383140 607865527 /nfs/dbraw/zinc/86/55/27/607865527.db2.gz MMYRWQATEPETMU-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM N#Cc1c(F)cccc1OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826383140 607865528 /nfs/dbraw/zinc/86/55/28/607865528.db2.gz MMYRWQATEPETMU-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821768817 607454553 /nfs/dbraw/zinc/45/45/53/607454553.db2.gz ACZPJDMYPHEGTI-RMKNXTFCSA-N -1 3 324.315 2.911 20 30 DFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821768817 607454554 /nfs/dbraw/zinc/45/45/54/607454554.db2.gz ACZPJDMYPHEGTI-RMKNXTFCSA-N -1 3 324.315 2.911 20 30 DFEDHM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc2c(c1)OCO2 ZINC000736662261 600592105 /nfs/dbraw/zinc/59/21/05/600592105.db2.gz MWXSBHXGIBIUJL-GTNSWQLSSA-N -1 3 324.336 2.763 20 30 DFEDHM C[C@H](NCc1cccc(OCC(=O)[O-])c1)c1ccc(C#N)cc1 ZINC000827741804 600750306 /nfs/dbraw/zinc/75/03/06/600750306.db2.gz TZBRKBPIMZZDIW-ZDUSSCGKSA-N -1 3 310.353 2.872 20 30 DFEDHM C=CCN(Cc1cccs1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000823920020 607479392 /nfs/dbraw/zinc/47/93/92/607479392.db2.gz WUOIXGKYYFBKFT-UHFFFAOYSA-N -1 3 312.402 2.511 20 30 DFEDHM C=CCN(Cc1cccs1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000823920020 607479393 /nfs/dbraw/zinc/47/93/93/607479393.db2.gz WUOIXGKYYFBKFT-UHFFFAOYSA-N -1 3 312.402 2.511 20 30 DFEDHM CN(Cc1cccc(C#N)c1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830844562 601311145 /nfs/dbraw/zinc/31/11/45/601311145.db2.gz DOFJNISLQYZVKH-KRWDZBQOSA-N -1 3 305.337 2.688 20 30 DFEDHM N#Cc1cc(CSc2ccc(-c3nnn[n-]3)cc2F)ccn1 ZINC000826383690 607549805 /nfs/dbraw/zinc/54/98/05/607549805.db2.gz LSXGVFBGRYCVGC-UHFFFAOYSA-N -1 3 312.333 2.565 20 30 DFEDHM N#Cc1cc(CSc2ccc(-c3nn[n-]n3)cc2F)ccn1 ZINC000826383690 607549806 /nfs/dbraw/zinc/54/98/06/607549806.db2.gz LSXGVFBGRYCVGC-UHFFFAOYSA-N -1 3 312.333 2.565 20 30 DFEDHM COc1ccc(NN=C(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826210661 607571365 /nfs/dbraw/zinc/57/13/65/607571365.db2.gz ZQHGWGCYXRWFAY-UHFFFAOYSA-N -1 3 308.345 2.711 20 30 DFEDHM COc1ccc(NN=C(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826210661 607571366 /nfs/dbraw/zinc/57/13/66/607571366.db2.gz ZQHGWGCYXRWFAY-UHFFFAOYSA-N -1 3 308.345 2.711 20 30 DFEDHM N#Cc1c(Cl)nsc1Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826383122 608169041 /nfs/dbraw/zinc/16/90/41/608169041.db2.gz LJOOVVPNCQCXDS-UHFFFAOYSA-N -1 3 304.722 2.641 20 30 DFEDHM C[C@](CNC(=O)[O-])(NCC#Cc1ccc(Cl)cc1)C1CC1 ZINC000824944793 605166735 /nfs/dbraw/zinc/16/67/35/605166735.db2.gz DHYIHQBJXBYQCW-MRXNPFEDSA-N -1 3 306.793 2.717 20 30 DFEDHM CC(C)(C#N)c1ccccc1CN1CCC[C@@H]1CNC(=O)[O-] ZINC000823736852 605278762 /nfs/dbraw/zinc/27/87/62/605278762.db2.gz BJTAMQCTDOAYKD-CQSZACIVSA-N -1 3 301.390 2.720 20 30 DFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(C)(C)C#N ZINC000821701202 606170767 /nfs/dbraw/zinc/17/07/67/606170767.db2.gz FZZOCCRJVICPTD-UHFFFAOYSA-N -1 3 301.350 2.584 20 30 DFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(C)(C)C#N ZINC000821701202 606170768 /nfs/dbraw/zinc/17/07/68/606170768.db2.gz FZZOCCRJVICPTD-UHFFFAOYSA-N -1 3 301.350 2.584 20 30 DFEDHM COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821770877 606302158 /nfs/dbraw/zinc/30/21/58/606302158.db2.gz YVASJYDKNQGTPI-SREVYHEPSA-N -1 3 312.354 2.833 20 30 DFEDHM COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821770877 606302159 /nfs/dbraw/zinc/30/21/59/606302159.db2.gz YVASJYDKNQGTPI-SREVYHEPSA-N -1 3 312.354 2.833 20 30 DFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cccc(F)c1 ZINC000822922593 606302682 /nfs/dbraw/zinc/30/26/82/606302682.db2.gz HWZVTCCQHSEPPX-SNAWJCMRSA-N -1 3 300.318 2.963 20 30 DFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cccc(F)c1 ZINC000822922593 606302685 /nfs/dbraw/zinc/30/26/85/606302685.db2.gz HWZVTCCQHSEPPX-SNAWJCMRSA-N -1 3 300.318 2.963 20 30 DFEDHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000820507262 606345940 /nfs/dbraw/zinc/34/59/40/606345940.db2.gz GCRMLCFYIHBKBH-LLVKDONJSA-N -1 3 319.324 2.656 20 30 DFEDHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000820507262 606345942 /nfs/dbraw/zinc/34/59/42/606345942.db2.gz GCRMLCFYIHBKBH-LLVKDONJSA-N -1 3 319.324 2.656 20 30 DFEDHM C(=NNc1cccc2ncccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000819718814 606370112 /nfs/dbraw/zinc/37/01/12/606370112.db2.gz RBCJBMSKAKVWMT-UHFFFAOYSA-N -1 3 321.369 2.922 20 30 DFEDHM Fc1cccc(F)c1N=NCc1ccc(-c2nnn[n-]2)s1 ZINC000822791502 606370745 /nfs/dbraw/zinc/37/07/45/606370745.db2.gz ITYMUIPVBIHCIM-UHFFFAOYSA-N -1 3 306.301 2.652 20 30 DFEDHM O=C(C=Cc1ccc(Cl)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000822930303 606391762 /nfs/dbraw/zinc/39/17/62/606391762.db2.gz YUPBQOVAFKREIX-GQCTYLIASA-N -1 3 311.732 2.811 20 30 DFEDHM O=C(C=Cc1ccc(Cl)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000822930303 606391764 /nfs/dbraw/zinc/39/17/64/606391764.db2.gz YUPBQOVAFKREIX-GQCTYLIASA-N -1 3 311.732 2.811 20 30 DFEDHM O=C1c2cc(F)ccc2OC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823503983 606391823 /nfs/dbraw/zinc/39/18/23/606391823.db2.gz KXNOTGVTZDJTGN-WDZFZDKYSA-N -1 3 314.301 2.684 20 30 DFEDHM C#CCNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000819702002 606638506 /nfs/dbraw/zinc/63/85/06/606638506.db2.gz RBVLCTPMXYMGML-UHFFFAOYSA-N -1 3 323.331 2.630 20 30 DFEDHM C#CCNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000819702002 606638507 /nfs/dbraw/zinc/63/85/07/606638507.db2.gz RBVLCTPMXYMGML-UHFFFAOYSA-N -1 3 323.331 2.630 20 30 DFEDHM C=CCC[C@H](O)CN(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819734331 606746757 /nfs/dbraw/zinc/74/67/57/606746757.db2.gz MDSKEONVNZCXAS-INIZCTEOSA-N -1 3 315.421 2.656 20 30 DFEDHM CCC1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CCCC1 ZINC000820944302 606849181 /nfs/dbraw/zinc/84/91/81/606849181.db2.gz JZUHQDPNRXGJOX-UHFFFAOYSA-N -1 3 310.361 2.647 20 30 DFEDHM CCC1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CCCC1 ZINC000820944302 606849182 /nfs/dbraw/zinc/84/91/82/606849182.db2.gz JZUHQDPNRXGJOX-UHFFFAOYSA-N -1 3 310.361 2.647 20 30 DFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccccc1F ZINC000822924078 606857625 /nfs/dbraw/zinc/85/76/25/606857625.db2.gz WQUYYLVDJHVWME-AATRIKPKSA-N -1 3 300.318 2.963 20 30 DFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccccc1F ZINC000822924078 606857626 /nfs/dbraw/zinc/85/76/26/606857626.db2.gz WQUYYLVDJHVWME-AATRIKPKSA-N -1 3 300.318 2.963 20 30 DFEDHM N#Cc1cccc(OCCCNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822837346 606862430 /nfs/dbraw/zinc/86/24/30/606862430.db2.gz KORIXBNYQAWBFF-UHFFFAOYSA-N -1 3 320.356 2.619 20 30 DFEDHM N#Cc1cccc(OCCCNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822837346 606862432 /nfs/dbraw/zinc/86/24/32/606862432.db2.gz KORIXBNYQAWBFF-UHFFFAOYSA-N -1 3 320.356 2.619 20 30 DFEDHM Cc1ccc(C#N)cc1OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822225319 607031346 /nfs/dbraw/zinc/03/13/46/607031346.db2.gz YAFNKGHURKAUFE-UHFFFAOYSA-N -1 3 321.340 2.505 20 30 DFEDHM Cc1ccc(C#N)cc1OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822224904 607042290 /nfs/dbraw/zinc/04/22/90/607042290.db2.gz FOQVULRQUFVZCG-UHFFFAOYSA-N -1 3 321.340 2.505 20 30 DFEDHM Cc1ccc(C#N)cc1OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822224904 607042291 /nfs/dbraw/zinc/04/22/91/607042291.db2.gz FOQVULRQUFVZCG-UHFFFAOYSA-N -1 3 321.340 2.505 20 30 DFEDHM CC(C)CCN(CCC#N)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000820076622 607067368 /nfs/dbraw/zinc/06/73/68/607067368.db2.gz PFRLQUHDKJIKAF-UHFFFAOYSA-N -1 3 316.384 2.768 20 30 DFEDHM C=CCc1ccccc1OC[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823937476 607871574 /nfs/dbraw/zinc/87/15/74/607871574.db2.gz ZISSJNXAZKVLHI-MRXNPFEDSA-N -1 3 322.368 2.708 20 30 DFEDHM C=CCc1ccccc1OC[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823937476 607871575 /nfs/dbraw/zinc/87/15/75/607871575.db2.gz ZISSJNXAZKVLHI-MRXNPFEDSA-N -1 3 322.368 2.708 20 30 DFEDHM COc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000826187339 607883285 /nfs/dbraw/zinc/88/32/85/607883285.db2.gz LVUAGCBOZJLNJO-TWGQIWQCSA-N -1 3 324.315 2.911 20 30 DFEDHM COc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000826187339 607883286 /nfs/dbraw/zinc/88/32/86/607883286.db2.gz LVUAGCBOZJLNJO-TWGQIWQCSA-N -1 3 324.315 2.911 20 30 DFEDHM COc1ccc(COc2ccc(-c3nn[n-]n3)cc2C)cc1C#N ZINC000826207453 607973000 /nfs/dbraw/zinc/97/30/00/607973000.db2.gz ONJDGTAYNRVQQS-UHFFFAOYSA-N -1 3 321.340 2.634 20 30 DFEDHM N#Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826384009 608092794 /nfs/dbraw/zinc/09/27/94/608092794.db2.gz BOBRRXINRDFBAR-XVNBXDOJSA-N -1 3 307.338 2.696 20 30 DFEDHM N#Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826384009 608092795 /nfs/dbraw/zinc/09/27/95/608092795.db2.gz BOBRRXINRDFBAR-XVNBXDOJSA-N -1 3 307.338 2.696 20 30 DFEDHM N#Cc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)s1 ZINC000826384278 608093729 /nfs/dbraw/zinc/09/37/29/608093729.db2.gz ONTPXPMDYWGDBJ-IWQZZHSRSA-N -1 3 313.367 2.757 20 30 DFEDHM N#Cc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)s1 ZINC000826384278 608093730 /nfs/dbraw/zinc/09/37/30/608093730.db2.gz ONTPXPMDYWGDBJ-IWQZZHSRSA-N -1 3 313.367 2.757 20 30 DFEDHM C=CCC[C@@H](C)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000823894912 608275057 /nfs/dbraw/zinc/27/50/57/608275057.db2.gz ZNXYSBIBYUTHGP-GFCCVEGCSA-N -1 3 300.362 2.697 20 30 DFEDHM C=CCC[C@@H](C)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000823894912 608275058 /nfs/dbraw/zinc/27/50/58/608275058.db2.gz ZNXYSBIBYUTHGP-GFCCVEGCSA-N -1 3 300.362 2.697 20 30 DFEDHM C=C(CC)COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000823877798 608289147 /nfs/dbraw/zinc/28/91/47/608289147.db2.gz FUFZLFYGOKSWAK-UHFFFAOYSA-N -1 3 309.167 2.974 20 30 DFEDHM C=C(CC)COc1ccc(Br)cc1-c1nn[n-]n1 ZINC000823877798 608289148 /nfs/dbraw/zinc/28/91/48/608289148.db2.gz FUFZLFYGOKSWAK-UHFFFAOYSA-N -1 3 309.167 2.974 20 30 DFEDHM CC1=CCC[C@@H](C)[C@@H]1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000824852591 608289885 /nfs/dbraw/zinc/28/98/85/608289885.db2.gz OEAGYUYWHPTAOO-CZUORRHYSA-N -1 3 310.405 2.935 20 30 DFEDHM CC1=CCC[C@@H](C)[C@@H]1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000824852591 608289887 /nfs/dbraw/zinc/28/98/87/608289887.db2.gz OEAGYUYWHPTAOO-CZUORRHYSA-N -1 3 310.405 2.935 20 30 DFEDHM CN(Cc1ccc(C#N)cc1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825965995 608383910 /nfs/dbraw/zinc/38/39/10/608383910.db2.gz JJXMETRIGZWSTI-UHFFFAOYSA-N -1 3 322.347 2.509 20 30 DFEDHM CN(Cc1ccc(C#N)cc1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000825965995 608383912 /nfs/dbraw/zinc/38/39/12/608383912.db2.gz JJXMETRIGZWSTI-UHFFFAOYSA-N -1 3 322.347 2.509 20 30 DFEDHM C=CCCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000823894537 608588595 /nfs/dbraw/zinc/58/85/95/608588595.db2.gz SMUUDDIFJTULMN-SNVBAGLBSA-N -1 3 302.338 2.932 20 30 DFEDHM C=CCCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000823894537 608588596 /nfs/dbraw/zinc/58/85/96/608588596.db2.gz SMUUDDIFJTULMN-SNVBAGLBSA-N -1 3 302.338 2.932 20 30 DFEDHM N#Cc1ccnc(SCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826387618 608673185 /nfs/dbraw/zinc/67/31/85/608673185.db2.gz GSUMTSIDLCOAMS-UHFFFAOYSA-N -1 3 312.333 2.565 20 30 DFEDHM N#Cc1ccnc(SCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826387618 608673186 /nfs/dbraw/zinc/67/31/86/608673186.db2.gz GSUMTSIDLCOAMS-UHFFFAOYSA-N -1 3 312.333 2.565 20 30 DFEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccsc1 ZINC000826400956 608881182 /nfs/dbraw/zinc/88/11/82/608881182.db2.gz LYRHKMNKPYLPPM-DUXPYHPUSA-N -1 3 300.318 2.963 20 30 DFEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccsc1 ZINC000826400956 608881187 /nfs/dbraw/zinc/88/11/87/608881187.db2.gz LYRHKMNKPYLPPM-DUXPYHPUSA-N -1 3 300.318 2.963 20 30 DFEDHM COc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826218815 609134012 /nfs/dbraw/zinc/13/40/12/609134012.db2.gz LKFGRCMXTGSSSL-VQHVLOKHSA-N -1 3 324.315 2.911 20 30 DFEDHM COc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826218815 609134014 /nfs/dbraw/zinc/13/40/14/609134014.db2.gz LKFGRCMXTGSSSL-VQHVLOKHSA-N -1 3 324.315 2.911 20 30 DFEDHM CCCCCCCCCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825270620 609193298 /nfs/dbraw/zinc/19/32/98/609193298.db2.gz AOLUPQBMOVVQOX-UHFFFAOYSA-N -1 3 304.398 2.675 20 30 DFEDHM CCCCCCCCCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825270620 609193299 /nfs/dbraw/zinc/19/32/99/609193299.db2.gz AOLUPQBMOVVQOX-UHFFFAOYSA-N -1 3 304.398 2.675 20 30 DFEDHM N#Cc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826386595 609270550 /nfs/dbraw/zinc/27/05/50/609270550.db2.gz LHXTURHOEJSJFZ-DAXSKMNVSA-N -1 3 319.299 2.774 20 30 DFEDHM N#Cc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826386595 609270551 /nfs/dbraw/zinc/27/05/51/609270551.db2.gz LHXTURHOEJSJFZ-DAXSKMNVSA-N -1 3 319.299 2.774 20 30 DFEDHM Cc1ncccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826330540 609270764 /nfs/dbraw/zinc/27/07/64/609270764.db2.gz YNASTQTVDQYAQN-ALCCZGGFSA-N -1 3 309.304 2.605 20 30 DFEDHM Cc1ncccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826330540 609270765 /nfs/dbraw/zinc/27/07/65/609270765.db2.gz YNASTQTVDQYAQN-ALCCZGGFSA-N -1 3 309.304 2.605 20 30 DFEDHM N#Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826384723 609272200 /nfs/dbraw/zinc/27/22/00/609272200.db2.gz HDWPDNMZAHMQHI-YVMONPNESA-N -1 3 319.299 2.774 20 30 DFEDHM N#Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826384723 609272202 /nfs/dbraw/zinc/27/22/02/609272202.db2.gz HDWPDNMZAHMQHI-YVMONPNESA-N -1 3 319.299 2.774 20 30 DFEDHM CC(=NNCc1cccc(C)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953453 609277003 /nfs/dbraw/zinc/27/70/03/609277003.db2.gz AOENCDPEIQGSDO-UHFFFAOYSA-N -1 3 324.363 2.828 20 30 DFEDHM CC(=NNCc1cccc(C)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953453 609277004 /nfs/dbraw/zinc/27/70/04/609277004.db2.gz AOENCDPEIQGSDO-UHFFFAOYSA-N -1 3 324.363 2.828 20 30 DFEDHM N#CCC1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000826380481 609385693 /nfs/dbraw/zinc/38/56/93/609385693.db2.gz BXPAMRRRTZGIAS-UHFFFAOYSA-N -1 3 319.372 2.545 20 30 DFEDHM N#CCC1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000826380481 609385695 /nfs/dbraw/zinc/38/56/95/609385695.db2.gz BXPAMRRRTZGIAS-UHFFFAOYSA-N -1 3 319.372 2.545 20 30 DFEDHM N#CCC1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000826380898 609388035 /nfs/dbraw/zinc/38/80/35/609388035.db2.gz PSUNBYUATXBRQI-UHFFFAOYSA-N -1 3 302.769 2.650 20 30 DFEDHM N#CCC1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000826380898 609388038 /nfs/dbraw/zinc/38/80/38/609388038.db2.gz PSUNBYUATXBRQI-UHFFFAOYSA-N -1 3 302.769 2.650 20 30 DFEDHM CC(C[C@@H]1CCOC1)N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824402134 609471082 /nfs/dbraw/zinc/47/10/82/609471082.db2.gz UTBNPBQYKJTHOX-JTQLQIEISA-N -1 3 320.784 2.735 20 30 DFEDHM CC(C[C@@H]1CCOC1)N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824402134 609471084 /nfs/dbraw/zinc/47/10/84/609471084.db2.gz UTBNPBQYKJTHOX-JTQLQIEISA-N -1 3 320.784 2.735 20 30 DFEDHM Oc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000826510623 609472472 /nfs/dbraw/zinc/47/24/72/609472472.db2.gz BFIDZUIOAPWHJK-UHFFFAOYSA-N -1 3 314.736 2.672 20 30 DFEDHM Oc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000826510623 609472474 /nfs/dbraw/zinc/47/24/74/609472474.db2.gz BFIDZUIOAPWHJK-UHFFFAOYSA-N -1 3 314.736 2.672 20 30 DFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCCCC12CCCC2 ZINC000328624180 231254389 /nfs/dbraw/zinc/25/43/89/231254389.db2.gz ZLQPFYVOBQJTLQ-HNNXBMFYSA-N -1 3 319.430 2.735 20 30 DFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1 ZINC000088547194 185257263 /nfs/dbraw/zinc/25/72/63/185257263.db2.gz GNAVQDREULDFCC-UHFFFAOYSA-N -1 3 317.757 2.884 20 30 DFEDHM N#CC1(CNC(=O)NCc2ccc([O-])c(F)c2)CCCCC1 ZINC000596355170 398392977 /nfs/dbraw/zinc/39/29/77/398392977.db2.gz SJAFLLATKNBQJM-UHFFFAOYSA-N -1 3 305.353 2.805 20 30 DFEDHM CC(C)(C)OC(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)nc1 ZINC000592364417 398416359 /nfs/dbraw/zinc/41/63/59/398416359.db2.gz YBXSSKHIAOQQMV-CYBMUJFWSA-N -1 3 323.352 2.922 20 30 DFEDHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C#N)cc1Cl)C(C)C ZINC000592352001 398414117 /nfs/dbraw/zinc/41/41/17/398414117.db2.gz NMACXLVOBMJXDM-ZDUSSCGKSA-N -1 3 316.810 2.624 20 30 DFEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H](C)C(C)C ZINC000067113502 398418060 /nfs/dbraw/zinc/41/80/60/398418060.db2.gz OEFBXMXYVAAKOP-AWEZNQCLSA-N -1 3 317.433 2.689 20 30 DFEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1[O-] ZINC000024050657 398428238 /nfs/dbraw/zinc/42/82/38/398428238.db2.gz WKRMATQTGDBFRW-UHFFFAOYSA-N -1 3 312.373 2.691 20 30 DFEDHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(C#N)cc1 ZINC000026131274 398449828 /nfs/dbraw/zinc/44/98/28/398449828.db2.gz QJILDFIHUTUAFH-LBPRGKRZSA-N -1 3 317.348 2.891 20 30 DFEDHM CCCN(CCN1CCCCC1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000588005409 398475598 /nfs/dbraw/zinc/47/55/98/398475598.db2.gz KOMPBXKNOQLGIH-UHFFFAOYSA-N -1 3 315.417 2.602 20 30 DFEDHM C=CCCC[C@@H](C)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000091514517 398534500 /nfs/dbraw/zinc/53/45/00/398534500.db2.gz OKRHGASUKQINOY-OAHLLOKOSA-N -1 3 302.418 2.895 20 30 DFEDHM N#Cc1cccc(C(=O)[N-]c2nnc(-c3ccsc3)s2)n1 ZINC000589387410 398550231 /nfs/dbraw/zinc/55/02/31/398550231.db2.gz YZKIAEQXECGHCE-UHFFFAOYSA-N -1 3 313.367 2.786 20 30 DFEDHM C[C@@H](NC(=O)c1c[n-]nc1-c1ccccn1)c1cccc(C#N)c1 ZINC000589438019 398552827 /nfs/dbraw/zinc/55/28/27/398552827.db2.gz QEMIYFSVRKVTTD-GFCCVEGCSA-N -1 3 317.352 2.834 20 30 DFEDHM N#CCc1ccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)cc1 ZINC000350550174 398606774 /nfs/dbraw/zinc/60/67/74/398606774.db2.gz VJDKSEATCBPNJV-UHFFFAOYSA-N -1 3 302.297 2.741 20 30 DFEDHM Cc1ccc(-c2nc([N-]C(=O)c3cscc3C#N)n[nH]2)cc1 ZINC000590240086 398607059 /nfs/dbraw/zinc/60/70/59/398607059.db2.gz QMGJGCUEJNNQFK-UHFFFAOYSA-N -1 3 309.354 2.966 20 30 DFEDHM C=CCCc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)cc2)n1 ZINC000351129127 398619637 /nfs/dbraw/zinc/61/96/37/398619637.db2.gz KKJIGAZOAIZPEW-GFCCVEGCSA-N -1 3 321.402 2.536 20 30 DFEDHM C=CCCOCCCCc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000351463067 398635515 /nfs/dbraw/zinc/63/55/15/398635515.db2.gz OISSHDOHOAPKHK-UHFFFAOYSA-N -1 3 313.361 2.923 20 30 DFEDHM 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322.368 2.514 20 30 DFEDHM CC(C)(C)C1CCC(C#N)(NC(=O)Cc2cncc([O-])c2)CC1 ZINC000597519651 398654966 /nfs/dbraw/zinc/65/49/66/398654966.db2.gz RKSRFGVJWSDYEH-UHFFFAOYSA-N -1 3 315.417 2.945 20 30 DFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1C[C@H]1C1CCCCC1 ZINC000593553170 398655488 /nfs/dbraw/zinc/65/54/88/398655488.db2.gz QONYYGPWNDOSKP-RYUDHWBXSA-N -1 3 310.444 2.867 20 30 DFEDHM CCc1cnccc1[C@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593574218 398657858 /nfs/dbraw/zinc/65/78/58/398657858.db2.gz NFYPUMLXZKFFKX-JTQLQIEISA-N -1 3 321.427 2.617 20 30 DFEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1 ZINC000276954456 213201784 /nfs/dbraw/zinc/20/17/84/213201784.db2.gz CPIZMZGEYPLXIG-MRXNPFEDSA-N -1 3 315.398 2.629 20 30 DFEDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1C)c1nccs1 ZINC000080276816 192019943 /nfs/dbraw/zinc/01/99/43/192019943.db2.gz ZAQJHOUSBSDUKI-GFCCVEGCSA-N -1 3 321.427 2.753 20 30 DFEDHM CCC(CC)Nc1ccncc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000594361601 398787085 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/nfs/dbraw/zinc/75/25/62/426752562.db2.gz KSSBVHJGCACNNN-UHFFFAOYSA-N -1 3 304.300 2.738 20 30 DFEDHM CC[C@H](C)CO[N-]C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000292067766 427076705 /nfs/dbraw/zinc/07/67/05/427076705.db2.gz ICEJWPDVHXARMB-JSGCOSHPSA-N -1 3 319.380 2.618 20 30 DFEDHM N#Cc1cc(F)c(C(=O)[N-]c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000132816110 271040540 /nfs/dbraw/zinc/04/05/40/271040540.db2.gz VZFGWQHISFGBSH-UHFFFAOYSA-N -1 3 303.224 2.997 20 30 DFEDHM Cc1cccc(C(=O)N2CCN(c3ccccc3C#N)CC2)c1[O-] ZINC000155630125 271055555 /nfs/dbraw/zinc/05/55/55/271055555.db2.gz ZKAOSDRFAZEDTN-UHFFFAOYSA-N -1 3 321.380 2.535 20 30 DFEDHM CSCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000157746024 271070959 /nfs/dbraw/zinc/07/09/59/271070959.db2.gz QFPUPBFJBNIQOM-UHFFFAOYSA-N -1 3 318.851 2.633 20 30 DFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2)c(Cl)c1 ZINC000169257965 271098736 /nfs/dbraw/zinc/09/87/36/271098736.db2.gz HTCUXXZJXPPPTF-UHFFFAOYSA-N -1 3 306.774 2.690 20 30 DFEDHM 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ZINC000362252365 428675120 /nfs/dbraw/zinc/67/51/20/428675120.db2.gz PGWSLOFNEHQQCG-UHFFFAOYSA-N -1 3 318.296 2.670 20 30 DFEDHM N#Cc1ccsc1[N-]C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000358852283 428703968 /nfs/dbraw/zinc/70/39/68/428703968.db2.gz GERHSEDRNHROEE-UHFFFAOYSA-N -1 3 313.298 2.657 20 30 DFEDHM C=CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(C)noc1C ZINC000416640713 428765534 /nfs/dbraw/zinc/76/55/34/428765534.db2.gz YMCLAWOXHMVGHK-HNNXBMFYSA-N -1 3 320.414 2.757 20 30 DFEDHM N#CC1(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2F)CCC1 ZINC000416674861 428769881 /nfs/dbraw/zinc/76/98/81/428769881.db2.gz WFMNPOZUMJLZBC-UHFFFAOYSA-N -1 3 316.785 2.592 20 30 DFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000416453151 428736635 /nfs/dbraw/zinc/73/66/35/428736635.db2.gz FUNCSWVJSSYGAP-CHWSQXEVSA-N -1 3 311.451 2.804 20 30 DFEDHM C[C@@H](C#N)S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000416458105 428737799 /nfs/dbraw/zinc/73/77/99/428737799.db2.gz YRCHZWMVVOFEQJ-GZMMTYOYSA-N -1 3 324.299 2.651 20 30 DFEDHM COc1ccc(Cl)c(S(=O)(=O)[N-]CC(C)(C)CC#N)c1 ZINC000416524924 428745286 /nfs/dbraw/zinc/74/52/86/428745286.db2.gz AAVYZFXSKDPYOJ-UHFFFAOYSA-N -1 3 316.810 2.567 20 30 DFEDHM Cc1cccnc1N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000348813329 428847118 /nfs/dbraw/zinc/84/71/18/428847118.db2.gz HLJVRQIPAQRJOX-UHFFFAOYSA-N -1 3 324.384 2.575 20 30 DFEDHM COc1cccc2c(C(=O)N3CCc4ccc(C#N)cc43)[n-]nc21 ZINC000345263254 428821211 /nfs/dbraw/zinc/82/12/11/428821211.db2.gz CRVXRHMIXHREGP-UHFFFAOYSA-N -1 3 318.336 2.646 20 30 DFEDHM COc1cccc2c(C(=O)N3CCc4ccc(C#N)cc43)n[n-]c21 ZINC000345263254 428821218 /nfs/dbraw/zinc/82/12/18/428821218.db2.gz CRVXRHMIXHREGP-UHFFFAOYSA-N -1 3 318.336 2.646 20 30 DFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(NCC(F)(F)F)c1 ZINC000416954032 428829744 /nfs/dbraw/zinc/82/97/44/428829744.db2.gz IGEFFRLOUNBWPB-LLVKDONJSA-N -1 3 321.324 2.705 20 30 DFEDHM CCNc1ccc(C#N)cc1NC(=O)c1cc(C(F)(F)F)n[n-]1 ZINC000354109009 428866393 /nfs/dbraw/zinc/86/63/93/428866393.db2.gz 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C#C[C@@H](CC)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000491650912 429384471 /nfs/dbraw/zinc/38/44/71/429384471.db2.gz CPFKVPBTBVKLBX-INIZCTEOSA-N -1 3 307.349 2.765 20 30 DFEDHM C=CCCCS(=O)(=O)[N-]c1cc(C)c(N(C)C)cc1C#N ZINC000427791341 429471115 /nfs/dbraw/zinc/47/11/15/429471115.db2.gz DGGGNLPULZYACS-UHFFFAOYSA-N -1 3 307.419 2.641 20 30 DFEDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1sccc1C#N ZINC000427108263 429432722 /nfs/dbraw/zinc/43/27/22/429432722.db2.gz PTNCWLZAOKKJMZ-UHFFFAOYSA-N -1 3 303.299 2.789 20 30 DFEDHM C[C@@H](CCC1CCCCC1)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428269338 429506711 /nfs/dbraw/zinc/50/67/11/429506711.db2.gz VAPRIVCQPIJVET-ZDUSSCGKSA-N -1 3 321.446 2.981 20 30 DFEDHM CCNc1ccc(C#N)cc1[N-]C(=O)c1cc(OCC)no1 ZINC000450154608 429575032 /nfs/dbraw/zinc/57/50/32/429575032.db2.gz CZQLHPNXYIMWIV-UHFFFAOYSA-N -1 3 300.318 2.629 20 30 DFEDHM N#CCCn1cc(/C=C\C(=O)[N-]OCC(F)F)c2ccccc21 ZINC000492606795 429576349 /nfs/dbraw/zinc/57/63/49/429576349.db2.gz XDFOQPIRRUQHIS-SREVYHEPSA-N 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/nfs/dbraw/zinc/93/53/46/429935346.db2.gz SZYBCYSLMNUGKI-AWEZNQCLSA-N -1 3 322.368 2.563 20 30 DFEDHM N#C[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@H]1c1ccccc1 ZINC000574378924 430037415 /nfs/dbraw/zinc/03/74/15/430037415.db2.gz GNGKOWNPUVFQIB-WBVHZDCISA-N -1 3 320.396 2.799 20 30 DFEDHM Cn1ncc(C([O-])=C(C#N)c2ccccn2)c1Cc1ccccc1 ZINC000562495355 430138540 /nfs/dbraw/zinc/13/85/40/430138540.db2.gz AZPXUQPTKBQDID-OAHLLOKOSA-N -1 3 316.364 2.896 20 30 DFEDHM C[C@@H](C#N)N(C(=O)c1cc([O-])cc(Br)c1)C1CC1 ZINC000600099903 430532209 /nfs/dbraw/zinc/53/22/09/430532209.db2.gz ZIWAMTRODYPJDY-QMMMGPOBSA-N -1 3 309.163 2.671 20 30 DFEDHM Cc1cc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)ccc1[O-] ZINC000570742134 430573207 /nfs/dbraw/zinc/57/32/07/430573207.db2.gz DSPYKGMJMBWYBT-UHFFFAOYSA-N -1 3 321.380 2.793 20 30 DFEDHM CC(=O)c1ccc(C(=O)N2CCC(CCC#N)CC2)cc1[O-] ZINC000571764378 430651334 /nfs/dbraw/zinc/65/13/34/430651334.db2.gz WPEYAILHGXZTQV-UHFFFAOYSA-N -1 3 300.358 2.751 20 30 DFEDHM C=CCN(CC1CCCCC1)[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC000643874434 430639334 /nfs/dbraw/zinc/63/93/34/430639334.db2.gz WSKWWNWJYSSUMW-MRXNPFEDSA-N -1 3 322.449 2.520 20 30 DFEDHM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3ncn(C)n3)sc2[C@@H](C)C1 ZINC000297735761 278503136 /nfs/dbraw/zinc/50/31/36/278503136.db2.gz HRGZAZZRQAZNGF-BDAKNGLRSA-N -1 3 315.402 2.686 20 30 DFEDHM N#CC(=C([O-])c1cnc2n1CCC2)c1cc(C(F)(F)F)ccn1 ZINC000659114443 430951752 /nfs/dbraw/zinc/95/17/52/430951752.db2.gz BFOQARPQXLPJJX-SNVBAGLBSA-N -1 3 320.274 2.733 20 30 DFEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)c(C)n1C1CCOCC1 ZINC000659115200 430953367 /nfs/dbraw/zinc/95/33/67/430953367.db2.gz QLRAPHMSUJBGKC-MRXNPFEDSA-N -1 3 324.384 2.737 20 30 DFEDHM C=CCN(CC=C)[C@H](CNc1nc(C(=O)[O-])c(C)s1)C(C)C ZINC000649385801 431085120 /nfs/dbraw/zinc/08/51/20/431085120.db2.gz LRAQKAVVUIEVDW-CYBMUJFWSA-N -1 3 323.462 2.682 20 30 DFEDHM C=C[C@@H](CCC(=O)[O-])NCc1cc(F)ccc1OC(F)F ZINC000656566280 431430190 /nfs/dbraw/zinc/43/01/90/431430190.db2.gz 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302632813 /nfs/dbraw/zinc/63/28/13/302632813.db2.gz UYJYMONIBICSGW-JIMOISOXSA-N -1 3 310.806 2.679 20 30 DFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C(C)C)C1 ZINC000446330414 317011430 /nfs/dbraw/zinc/01/14/30/317011430.db2.gz JCZLLQGJTHQLHK-CQSZACIVSA-N -1 3 315.417 2.713 20 30 DFEDHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000533692208 331646730 /nfs/dbraw/zinc/64/67/30/331646730.db2.gz USIRIUOSUGUIKO-UHFFFAOYSA-N -1 3 310.762 2.729 20 30 DFEDHM [O-]c1c(O)ccc(/C=N/[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1O ZINC000162321082 332934028 /nfs/dbraw/zinc/93/40/28/332934028.db2.gz UDCJCKUPKXUMLF-HAKARCQDSA-N -1 3 303.358 2.570 20 30 DFEDHM C[C@@H](C#N)C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000531002690 331990799 /nfs/dbraw/zinc/99/07/99/331990799.db2.gz ATOHJLUZYWRWJE-JTQLQIEISA-N -1 3 308.790 2.931 20 30 DFEDHM N#CC1([N-]S(=O)(=O)Cc2ccc(F)cc2F)CCCCC1 ZINC000538713424 332705828 /nfs/dbraw/zinc/70/58/28/332705828.db2.gz BTJSIPVFBHRFJR-UHFFFAOYSA-N -1 3 314.357 2.611 20 30 DFEDHM N#C[C@@H]1COCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179620073 333025770 /nfs/dbraw/zinc/02/57/70/333025770.db2.gz FCQXIJHVFBLRKA-CYBMUJFWSA-N -1 3 324.336 2.549 20 30 DFEDHM C=CCCC[C@@H](C)NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000182644866 333043018 /nfs/dbraw/zinc/04/30/18/333043018.db2.gz SWXOWEBORPNDFT-CQSZACIVSA-N -1 3 318.417 2.682 20 30 DFEDHM C=CCC(F)(F)C(=O)[N-][C@H](CC(=O)OC)c1ccc(F)cc1 ZINC000294399986 335121744 /nfs/dbraw/zinc/12/17/44/335121744.db2.gz CKOBJPYCHSQKTB-GFCCVEGCSA-N -1 3 315.291 2.758 20 30 DFEDHM N#CC(=C([O-])c1ccc(OC(F)(F)F)cc1)c1ccncn1 ZINC000354462127 333144156 /nfs/dbraw/zinc/14/41/56/333144156.db2.gz HEJPMNDGUWUKMH-NSHDSACASA-N -1 3 307.231 2.865 20 30 DFEDHM COc1ccsc1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@H](C)C1 ZINC000182007803 333174488 /nfs/dbraw/zinc/17/44/88/333174488.db2.gz QDFPOSRWNALZII-GWCFXTLKSA-N -1 3 314.432 2.507 20 30 DFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000186425882 333219358 /nfs/dbraw/zinc/21/93/58/333219358.db2.gz MXHZRGUDUFWICS-MRVPVSSYSA-N -1 3 307.202 2.964 20 30 DFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000186423982 333219423 /nfs/dbraw/zinc/21/94/23/333219423.db2.gz VYCZJONDYPRHDI-NSHDSACASA-N -1 3 314.794 2.513 20 30 DFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000186430692 333219464 /nfs/dbraw/zinc/21/94/64/333219464.db2.gz FUNOTEMWVZWKFL-MRVPVSSYSA-N -1 3 307.202 2.964 20 30 DFEDHM CC(C)(C#N)c1ccc(NC(=O)[N-]OC[C@@H]2CCOC2)cc1 ZINC000189487782 333258458 /nfs/dbraw/zinc/25/84/58/333258458.db2.gz OYOXCAHNWGIIRB-GFCCVEGCSA-N -1 3 303.362 2.577 20 30 DFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000116906049 333278217 /nfs/dbraw/zinc/27/82/17/333278217.db2.gz PNJCNWNAKJSCIF-MRVPVSSYSA-N -1 3 322.199 2.831 20 30 DFEDHM N#C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000061889721 333432989 /nfs/dbraw/zinc/43/29/89/333432989.db2.gz IZOLTTNYXJNNSS-QPUJVOFHSA-N -1 3 319.213 2.964 20 30 DFEDHM N#C[C@@H]1N(Cc2cc([O-])cc(F)c2)CCC[C@]12CCCCO2 ZINC000365768124 333457923 /nfs/dbraw/zinc/45/79/23/333457923.db2.gz RORHKXRKXXERHP-DLBZAZTESA-N -1 3 304.365 2.959 20 30 DFEDHM CCO[C@@H]1C[C@H](/N=C/c2c([O-])c(C)ncc2CO)C1(CC)CC ZINC000267468491 333983984 /nfs/dbraw/zinc/98/39/84/333983984.db2.gz XCYQCQBDZGIWAP-NFUNWIPISA-N -1 3 320.433 2.991 20 30 DFEDHM CC1CCC2(CC1)OC[C@H](C/N=C/c1ccc(O)c([O-])c1O)O2 ZINC000271921596 334028799 /nfs/dbraw/zinc/02/87/99/334028799.db2.gz IEGACPVJZQBICS-UYHSYJQGSA-N -1 3 321.373 2.544 20 30 DFEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000272530915 334036678 /nfs/dbraw/zinc/03/66/78/334036678.db2.gz ZNCOVMGPORGMNR-CYBMUJFWSA-N -1 3 302.346 2.571 20 30 DFEDHM CC[C@H](CC#N)NCc1ccc(OC)c([O-])c1Br ZINC000273896779 334052794 /nfs/dbraw/zinc/05/27/94/334052794.db2.gz VCDYKYKEQFCGHH-SNVBAGLBSA-N -1 3 313.195 2.945 20 30 DFEDHM O=C([N-]OCCC(F)(F)F)c1cc(F)c(F)c(F)c1F ZINC000275248910 334070376 /nfs/dbraw/zinc/07/03/76/334070376.db2.gz VINGEACPYLJPTO-UHFFFAOYSA-N -1 3 305.149 2.857 20 30 DFEDHM COCCCn1nccc1/C=C/C(=O)c1ccc([O-])c(OC)c1 ZINC000282928026 334138279 /nfs/dbraw/zinc/13/82/79/334138279.db2.gz IBJQOQOOMAWPCF-FNORWQNLSA-N -1 3 316.357 2.530 20 30 DFEDHM C[C@H](CC#N)Sc1ccccc1NC([O-])=NOCC(C)(C)O ZINC000284740417 334144303 /nfs/dbraw/zinc/14/43/03/334144303.db2.gz DJOSMIGDDGGORZ-LLVKDONJSA-N -1 3 323.418 2.905 20 30 DFEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)[N-]OCC(C)(C)O ZINC000284740417 334144304 /nfs/dbraw/zinc/14/43/04/334144304.db2.gz DJOSMIGDDGGORZ-LLVKDONJSA-N -1 3 323.418 2.905 20 30 DFEDHM Cc1cc(=O)[n-]c([C@@H](C)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)n1 ZINC000292128199 334184698 /nfs/dbraw/zinc/18/46/98/334184698.db2.gz KZZJPYUNGOXZLO-BMFZPTHFSA-N -1 3 308.385 2.791 20 30 DFEDHM CCn1ncc(C(=O)[N-]c2ccccc2SC[C@@H](C)C#N)n1 ZINC000293427863 334198088 /nfs/dbraw/zinc/19/80/88/334198088.db2.gz ONVBJTMGXMIQHV-NSHDSACASA-N -1 3 315.402 2.802 20 30 DFEDHM Cc1ncc(CO)c(/C=N/CCc2ccc(Cl)s2)c1[O-] ZINC000298628541 334250247 /nfs/dbraw/zinc/25/02/47/334250247.db2.gz DCFDHBBXLONDIG-FRKPEAEDSA-N -1 3 310.806 2.964 20 30 DFEDHM CCOc1cccc(C/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000298652392 334250434 /nfs/dbraw/zinc/25/04/34/334250434.db2.gz OSZBVDRQWXLZIR-VCHYOVAHSA-N -1 3 300.358 2.606 20 30 DFEDHM N#C[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccc(Cl)cc1 ZINC000113178563 334386044 /nfs/dbraw/zinc/38/60/44/334386044.db2.gz JOCCZDMVGGGSQB-AWEZNQCLSA-N -1 3 311.732 2.606 20 30 DFEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000416534304 334669210 /nfs/dbraw/zinc/66/92/10/334669210.db2.gz WNXSFHPFMACNEU-UHFFFAOYSA-N -1 3 304.774 2.697 20 30 DFEDHM N#CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCC1 ZINC000416663879 334673910 /nfs/dbraw/zinc/67/39/10/334673910.db2.gz AWNWVOHAQNYKEM-UHFFFAOYSA-N -1 3 319.213 2.966 20 30 DFEDHM CC(C)(C)c1ccc(NC(=O)C2(C#N)CCOCC2)c([O-])c1 ZINC000330399051 334777883 /nfs/dbraw/zinc/77/78/83/334777883.db2.gz MLLQJJLCVSGHBB-UHFFFAOYSA-N -1 3 302.374 2.949 20 30 DFEDHM COC(=O)C1(NC(=O)c2ccc(C(C)C)cc2[O-])CCOCC1 ZINC000331318915 334853605 /nfs/dbraw/zinc/85/36/05/334853605.db2.gz DQWFCSYQKJVNOV-UHFFFAOYSA-N -1 3 321.373 2.542 20 30 DFEDHM C[C@@H](CC(C)(C)O)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331354646 334858100 /nfs/dbraw/zinc/85/81/00/334858100.db2.gz PSMFKOJXUTZZBG-JTQLQIEISA-N -1 3 307.390 2.960 20 30 DFEDHM CC1(C)c2ccc(C([O-])=C(C#N)c3ccccn3)cc2NC1=O ZINC000344738163 335272355 /nfs/dbraw/zinc/27/23/55/335272355.db2.gz LOGWNJGPRBWPNI-GFCCVEGCSA-N -1 3 305.337 2.801 20 30 DFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc(C(N)=O)cs3)nc21 ZINC000345371350 335321231 /nfs/dbraw/zinc/32/12/31/335321231.db2.gz JUCSMAWPOSKCCT-SNVBAGLBSA-N -1 3 324.365 2.522 20 30 DFEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000345627801 335338023 /nfs/dbraw/zinc/33/80/23/335338023.db2.gz INKJTIGQUTWDJW-GFCCVEGCSA-N -1 3 321.229 2.961 20 30 DFEDHM C[C@]1(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)CCCc2ccccc21 ZINC000329134352 335944579 /nfs/dbraw/zinc/94/45/79/335944579.db2.gz BPFHATZRSHIDDL-LRDDRELGSA-N -1 3 301.346 2.837 20 30 DFEDHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC(C)(C#N)CC3)c(=O)c2c1 ZINC000332538797 336174032 /nfs/dbraw/zinc/17/40/32/336174032.db2.gz WISMUDYYTRYFLW-UHFFFAOYSA-N -1 3 323.396 2.911 20 30 DFEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000514589195 336385291 /nfs/dbraw/zinc/38/52/91/336385291.db2.gz KOIPVBKJXCUYNG-UHFFFAOYSA-N -1 3 306.309 2.785 20 30 DFEDHM C=CCc1cc(C([O-])=C(C#N)c2ccncn2)cc(OC)c1OC ZINC000354464643 336471682 /nfs/dbraw/zinc/47/16/82/336471682.db2.gz IVUWIIQGIRLTFO-AWEZNQCLSA-N -1 3 323.352 2.712 20 30 DFEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000362387557 336795125 /nfs/dbraw/zinc/79/51/25/336795125.db2.gz WODFWUVJEDPVQG-LBPRGKRZSA-N -1 3 320.336 2.673 20 30 DFEDHM CC(=O)Nc1ccc([O-])c(C(=O)N(CCC#N)CC(C)(C)C)c1 ZINC000122321331 337004178 /nfs/dbraw/zinc/00/41/78/337004178.db2.gz REWZNKJNAITWEV-UHFFFAOYSA-N -1 3 317.389 2.753 20 30 DFEDHM COc1cc(CNc2ccc(CC#N)cc2)c([N+](=O)[O-])cc1[O-] ZINC000183280347 337192681 /nfs/dbraw/zinc/19/26/81/337192681.db2.gz 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C[C@H]1CCC[C@@H](CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC000736253972 599198692 /nfs/dbraw/zinc/19/86/92/599198692.db2.gz WYVXVZSQSFSBPX-NWDGAFQWSA-N -1 3 324.388 2.893 20 30 DFEDHM C[C@H]1CCC[C@@H](CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC000736253972 599198694 /nfs/dbraw/zinc/19/86/94/599198694.db2.gz WYVXVZSQSFSBPX-NWDGAFQWSA-N -1 3 324.388 2.893 20 30 DFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1ccccc1C#N ZINC000737221867 599283512 /nfs/dbraw/zinc/28/35/12/599283512.db2.gz QKIMVXJNDSABMF-UHFFFAOYSA-N -1 3 305.341 2.934 20 30 DFEDHM Fc1ccc(C#CCOc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000822766661 607326881 /nfs/dbraw/zinc/32/68/81/607326881.db2.gz MGWDROCEDKPOPU-UHFFFAOYSA-N -1 3 312.279 2.575 20 30 DFEDHM Fc1ccc(C#CCOc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000822766661 607326882 /nfs/dbraw/zinc/32/68/82/607326882.db2.gz MGWDROCEDKPOPU-UHFFFAOYSA-N -1 3 312.279 2.575 20 30 DFEDHM C=CCCC(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000735407929 598326983 /nfs/dbraw/zinc/32/69/83/598326983.db2.gz 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C=CCC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccccc1 ZINC000819733815 607379769 /nfs/dbraw/zinc/37/97/69/607379769.db2.gz BQRPPZIDKVGTNX-CQSZACIVSA-N -1 3 322.372 2.632 20 30 DFEDHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000736663376 600593118 /nfs/dbraw/zinc/59/31/18/600593118.db2.gz YHCBQLUNJXNNDC-YVEFUNNKSA-N -1 3 305.337 2.906 20 30 DFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccsc1 ZINC000822922981 607460694 /nfs/dbraw/zinc/46/06/94/607460694.db2.gz LWCIMCQPQMHRLC-ARJAWSKDSA-N -1 3 300.318 2.963 20 30 DFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccsc1 ZINC000822922981 607460695 /nfs/dbraw/zinc/46/06/95/607460695.db2.gz LWCIMCQPQMHRLC-ARJAWSKDSA-N -1 3 300.318 2.963 20 30 DFEDHM N#Cc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000822825624 607458895 /nfs/dbraw/zinc/45/88/95/607458895.db2.gz JBXCGBBJMUQFOL-SREVYHEPSA-N -1 3 319.299 2.774 20 30 DFEDHM N#Cc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000822825624 607458896 /nfs/dbraw/zinc/45/88/96/607458896.db2.gz 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CC(C)n1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000735959855 598761069 /nfs/dbraw/zinc/76/10/69/598761069.db2.gz DARAAYZBVBCAOM-VOTSOKGWSA-N -1 3 308.345 2.540 20 30 DFEDHM CC(C)n1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000735959855 598761071 /nfs/dbraw/zinc/76/10/71/598761071.db2.gz DARAAYZBVBCAOM-VOTSOKGWSA-N -1 3 308.345 2.540 20 30 DFEDHM CC(C)n1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000735959650 598761181 /nfs/dbraw/zinc/76/11/81/598761181.db2.gz AAIAEQKNBONVOJ-FPYGCLRLSA-N -1 3 308.345 2.540 20 30 DFEDHM CC(C)n1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000735959650 598761182 /nfs/dbraw/zinc/76/11/82/598761182.db2.gz AAIAEQKNBONVOJ-FPYGCLRLSA-N -1 3 308.345 2.540 20 30 DFEDHM C=C(Br)CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000735397665 598794378 /nfs/dbraw/zinc/79/43/78/598794378.db2.gz BRENFNLWXKHUCV-UHFFFAOYSA-N -1 3 314.574 2.841 20 30 DFEDHM C=C(Br)CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000735397665 598794379 /nfs/dbraw/zinc/79/43/79/598794379.db2.gz BRENFNLWXKHUCV-UHFFFAOYSA-N -1 3 314.574 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ZINC000281877519 426784825 /nfs/dbraw/zinc/78/48/25/426784825.db2.gz CXXKKBMIDIDDNH-UHFFFAOYSA-N -1 3 318.851 2.633 20 30 DFEDHM Cc1ncc(CO)c(C=Nc2ccc3c(c2)C(=O)CCC3)c1[O-] ZINC000267337484 426874692 /nfs/dbraw/zinc/87/46/92/426874692.db2.gz IWCUUJANMORJOX-AWQFTUOYSA-N -1 3 310.353 2.858 20 30 DFEDHM C[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000329232907 427070026 /nfs/dbraw/zinc/07/00/26/427070026.db2.gz GMAWXINIQORTEY-LSSIXWDNSA-N -1 3 322.409 2.586 20 30 DFEDHM CC(C)[C@@H](NC(=O)c1csc(=O)[n-]1)C(=O)OC(C)(C)C ZINC000331014108 427328215 /nfs/dbraw/zinc/32/82/15/427328215.db2.gz TZHGYFAUMKXSDT-SECBINFHSA-N -1 3 300.380 2.520 20 30 DFEDHM CCN1CCC[C@@H]1CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000331227830 427374642 /nfs/dbraw/zinc/37/46/42/427374642.db2.gz DXKXTTRAEHHVME-LLVKDONJSA-N -1 3 312.797 2.843 20 30 DFEDHM C=CCN(Cc1cccc(C#N)c1)[C@@H](C)C(=O)[N-]c1cc(C)no1 ZINC000298104233 427522810 /nfs/dbraw/zinc/52/28/10/427522810.db2.gz LPYYCQFXZRREMU-AWEZNQCLSA-N -1 3 324.384 2.870 20 30 DFEDHM N#CCC1(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000332158807 427527291 /nfs/dbraw/zinc/52/72/91/427527291.db2.gz QKABHVAPDMFQAN-UHFFFAOYSA-N -1 3 319.213 2.966 20 30 DFEDHM Cc1cc(S(=O)(=O)[N-]CC2(CC#N)CC2)sc1Cl ZINC000332000337 427489676 /nfs/dbraw/zinc/48/96/76/427489676.db2.gz ZWRYZDCODZEQQM-UHFFFAOYSA-N -1 3 304.824 2.682 20 30 DFEDHM C=CCOc1ccccc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000192658050 427583749 /nfs/dbraw/zinc/58/37/49/427583749.db2.gz YVOOXRHBXUUCNH-UHFFFAOYSA-N -1 3 312.251 2.641 20 30 DFEDHM C=CCOc1ccccc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000192658050 427583752 /nfs/dbraw/zinc/58/37/52/427583752.db2.gz YVOOXRHBXUUCNH-UHFFFAOYSA-N -1 3 312.251 2.641 20 30 DFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H](C)C(C)C ZINC000298434117 427608032 /nfs/dbraw/zinc/60/80/32/427608032.db2.gz YNDJIIKSPBMQEI-ZDUSSCGKSA-N -1 3 303.406 2.711 20 30 DFEDHM CC(C)SCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000344809376 272372454 /nfs/dbraw/zinc/37/24/54/272372454.db2.gz 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428291686 /nfs/dbraw/zinc/29/16/86/428291686.db2.gz FFWTVMAAXCSMBM-UHFFFAOYSA-N -1 3 311.385 2.896 20 30 DFEDHM Cc1cc(C#N)cc(NCc2ccc([O-])c(Br)c2)n1 ZINC000342672580 428438542 /nfs/dbraw/zinc/43/85/42/428438542.db2.gz HSPHUUUNZMLLBV-UHFFFAOYSA-N -1 3 318.174 3.342 20 30 DFEDHM Cc1cc(C(C#N)=C([O-])c2cccc(-n3cccn3)c2)nc(C)n1 ZINC000342752782 428447065 /nfs/dbraw/zinc/44/70/65/428447065.db2.gz PQBMYXJXYFXKRN-INIZCTEOSA-N -1 3 317.352 2.769 20 30 DFEDHM COc1ncc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1Cl ZINC000342462304 428429867 /nfs/dbraw/zinc/42/98/67/428429867.db2.gz NNTIIALLIUHXCC-LLVKDONJSA-N -1 3 316.748 2.641 20 30 DFEDHM Cc1ccc2[n-]cc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)c(=O)c2c1 ZINC000343002057 428503512 /nfs/dbraw/zinc/50/35/12/428503512.db2.gz RYLSOSFKQLVNGE-INIZCTEOSA-N -1 3 323.396 2.991 20 30 DFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000403354018 428562977 /nfs/dbraw/zinc/56/29/77/428562977.db2.gz WQSFURLKVGNWOC-UPJWGTAASA-N -1 3 324.833 2.926 20 30 DFEDHM Cc1cc(C(C#N)=C([O-])c2ccnc(OC(C)C)c2)nc(C)n1 ZINC000347803288 428624714 /nfs/dbraw/zinc/62/47/14/428624714.db2.gz JOUMMUYQIINLPU-AWEZNQCLSA-N -1 3 310.357 2.766 20 30 DFEDHM C[C@@H](C#N)S(=O)(=O)[N-][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000416382473 428728975 /nfs/dbraw/zinc/72/89/75/428728975.db2.gz FLGLWEVXUZMFTE-QWRGUYRKSA-N -1 3 321.427 2.703 20 30 DFEDHM N#CC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCC1 ZINC000416666462 428766589 /nfs/dbraw/zinc/76/65/89/428766589.db2.gz FDAGDQMWUGSASD-UHFFFAOYSA-N -1 3 319.213 2.966 20 30 DFEDHM Cc1cc(S(=O)(=O)[N-]CC2(C#N)CCC2)c(Cl)cc1F ZINC000416673015 428769730 /nfs/dbraw/zinc/76/97/30/428769730.db2.gz SOAYQZKJTJEIDQ-UHFFFAOYSA-N -1 3 316.785 2.760 20 30 DFEDHM N#Cc1cccc([C@@H]2CN(Cc3cc(F)ccc3[O-])CCO2)c1 ZINC000374901292 428779520 /nfs/dbraw/zinc/77/95/20/428779520.db2.gz WMSRPAWJHYQAIW-SFHVURJKSA-N -1 3 312.344 2.976 20 30 DFEDHM N#CCCCCNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000412010812 428907138 /nfs/dbraw/zinc/90/71/38/428907138.db2.gz 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CS[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)C(C)(C)C ZINC000435437205 429141819 /nfs/dbraw/zinc/14/18/19/429141819.db2.gz JOQBWTFYDJUCRN-JTQLQIEISA-N -1 3 318.489 2.676 20 30 DFEDHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1C ZINC000435718890 429160870 /nfs/dbraw/zinc/16/08/70/429160870.db2.gz GZAZVRHVXMSRDY-UHFFFAOYSA-N -1 3 316.382 2.985 20 30 DFEDHM COC(=O)c1ccsc1[N-]C(=O)c1ncc(C#N)cc1Cl ZINC000439245324 429217566 /nfs/dbraw/zinc/21/75/66/429217566.db2.gz JREWXNCCIWURON-UHFFFAOYSA-N -1 3 321.745 2.707 20 30 DFEDHM CCC(CC)C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443065305 429244169 /nfs/dbraw/zinc/24/41/69/429244169.db2.gz AGZOBIXBWGQUSC-UHFFFAOYSA-N -1 3 300.811 2.926 20 30 DFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCCC(F)(F)C1 ZINC000443500483 429252668 /nfs/dbraw/zinc/25/26/68/429252668.db2.gz MZLTZGRBEWULKR-NSHDSACASA-N -1 3 318.320 2.554 20 30 DFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)C1 ZINC000443500476 429252735 /nfs/dbraw/zinc/25/27/35/429252735.db2.gz MZLTZGRBEWULKR-LLVKDONJSA-N 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ZINC000819734565 607004304 /nfs/dbraw/zinc/00/43/04/607004304.db2.gz RINVOXBQARSABH-UHFFFAOYSA-N -1 3 316.336 2.817 20 30 DFEDHM N#Cc1ccnc(SCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000822842780 607040521 /nfs/dbraw/zinc/04/05/21/607040521.db2.gz YIOSWBKYDDKJOP-UHFFFAOYSA-N -1 3 312.333 2.565 20 30 DFEDHM N#Cc1ccnc(SCc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000822842780 607040522 /nfs/dbraw/zinc/04/05/22/607040522.db2.gz YIOSWBKYDDKJOP-UHFFFAOYSA-N -1 3 312.333 2.565 20 30 DFEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)Cc1cc(F)ccc1C#N ZINC000821613482 607058848 /nfs/dbraw/zinc/05/88/48/607058848.db2.gz PCOUFKTZAWHQDO-UHFFFAOYSA-N -1 3 322.347 2.509 20 30 DFEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cc(F)ccc1C#N ZINC000821613482 607058850 /nfs/dbraw/zinc/05/88/50/607058850.db2.gz PCOUFKTZAWHQDO-UHFFFAOYSA-N -1 3 322.347 2.509 20 30 DFEDHM O=C1C(=Cc2ccccc2-c2nnn[n-]2)COc2ccccc21 ZINC000826476393 607883843 /nfs/dbraw/zinc/88/38/43/607883843.db2.gz GNUIRTMOBUNHIW-FMIVXFBMSA-N -1 3 304.309 2.525 20 30 DFEDHM O=C1C(=Cc2ccccc2-c2nn[n-]n2)COc2ccccc21 ZINC000826476393 607883844 /nfs/dbraw/zinc/88/38/44/607883844.db2.gz GNUIRTMOBUNHIW-FMIVXFBMSA-N -1 3 304.309 2.525 20 30 DFEDHM O=C(C=Cc1ccc([O-])c(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826401396 607883967 /nfs/dbraw/zinc/88/39/67/607883967.db2.gz XLTBETNIZOXIFX-LREOWRDNSA-N -1 3 310.288 2.608 20 30 DFEDHM O=C1c2cc(F)ccc2CC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826476412 607885036 /nfs/dbraw/zinc/88/50/36/607885036.db2.gz HGHQDJMGSKKUDI-KPKJPENVSA-N -1 3 306.300 2.828 20 30 DFEDHM O=C1c2cc(F)ccc2CC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826476412 607885037 /nfs/dbraw/zinc/88/50/37/607885037.db2.gz HGHQDJMGSKKUDI-KPKJPENVSA-N -1 3 306.300 2.828 20 30 DFEDHM O=C1c2cccc(O)c2CCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475895 607885071 /nfs/dbraw/zinc/88/50/71/607885071.db2.gz VKZABSLPNYVMMQ-ZRDIBKRKSA-N -1 3 318.336 2.785 20 30 DFEDHM O=C1c2cccc(O)c2CCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475895 607885072 /nfs/dbraw/zinc/88/50/72/607885072.db2.gz VKZABSLPNYVMMQ-ZRDIBKRKSA-N -1 3 318.336 2.785 20 30 DFEDHM Fc1cc(F)cc(C=NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826372552 607886142 /nfs/dbraw/zinc/88/61/42/607886142.db2.gz BMQSFYVRZSHCDI-UHFFFAOYSA-N -1 3 300.272 2.591 20 30 DFEDHM Fc1cc(F)cc(C=NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826372552 607886143 /nfs/dbraw/zinc/88/61/43/607886143.db2.gz BMQSFYVRZSHCDI-UHFFFAOYSA-N -1 3 300.272 2.591 20 30 DFEDHM Cc1ccc([N+](=O)[O-])cc1NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826293445 607887763 /nfs/dbraw/zinc/88/77/63/607887763.db2.gz PEZFSSVERNEMTN-UHFFFAOYSA-N -1 3 323.316 2.529 20 30 DFEDHM Cc1ccc([N+](=O)[O-])cc1NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826293445 607887764 /nfs/dbraw/zinc/88/77/64/607887764.db2.gz PEZFSSVERNEMTN-UHFFFAOYSA-N -1 3 323.316 2.529 20 30 DFEDHM Fc1cc(F)c(NN=Cc2ccccc2-c2nnn[n-]2)cc1F ZINC000826372589 607888657 /nfs/dbraw/zinc/88/86/57/607888657.db2.gz DMNXPSKLTWHCDF-UHFFFAOYSA-N -1 3 318.262 2.730 20 30 DFEDHM Fc1cc(F)c(NN=Cc2ccccc2-c2nn[n-]n2)cc1F ZINC000826372589 607888658 /nfs/dbraw/zinc/88/86/58/607888658.db2.gz DMNXPSKLTWHCDF-UHFFFAOYSA-N -1 3 318.262 2.730 20 30 DFEDHM O=C1c2ccccc2OCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475778 607916239 /nfs/dbraw/zinc/91/62/39/607916239.db2.gz QKPHMCZIPLVEKC-XFFZJAGNSA-N -1 3 322.299 2.665 20 30 DFEDHM O=C1c2ccccc2OCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475778 607916240 /nfs/dbraw/zinc/91/62/40/607916240.db2.gz QKPHMCZIPLVEKC-XFFZJAGNSA-N -1 3 322.299 2.665 20 30 DFEDHM O=C1c2ccccc2CC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826476006 607916350 /nfs/dbraw/zinc/91/63/50/607916350.db2.gz YOCLWCASRPXQOW-KPKJPENVSA-N -1 3 306.300 2.828 20 30 DFEDHM O=C1c2ccccc2CC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826476006 607916351 /nfs/dbraw/zinc/91/63/51/607916351.db2.gz YOCLWCASRPXQOW-KPKJPENVSA-N -1 3 306.300 2.828 20 30 DFEDHM O=C1c2ccccc2OCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475779 607916473 /nfs/dbraw/zinc/91/64/73/607916473.db2.gz QKPHMCZIPLVEKC-YRNVUSSQSA-N -1 3 322.299 2.665 20 30 DFEDHM O=C1c2ccccc2OCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475779 607916474 /nfs/dbraw/zinc/91/64/74/607916474.db2.gz QKPHMCZIPLVEKC-YRNVUSSQSA-N -1 3 322.299 2.665 20 30 DFEDHM O=C(C=Cc1nc(Cl)cs1)c1cccc(-c2nnn[n-]2)c1 ZINC000826403583 607982263 /nfs/dbraw/zinc/98/22/63/607982263.db2.gz WQWXFBRWTGXUPX-SNAWJCMRSA-N -1 3 317.761 2.873 20 30 DFEDHM O=C(C=Cc1nc(Cl)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000826403583 607982264 /nfs/dbraw/zinc/98/22/64/607982264.db2.gz WQWXFBRWTGXUPX-SNAWJCMRSA-N -1 3 317.761 2.873 20 30 DFEDHM CCC(CC)[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000825095192 608064156 /nfs/dbraw/zinc/06/41/56/608064156.db2.gz FTCFPVBCXMVRAA-JTQLQIEISA-N -1 3 312.377 2.749 20 30 DFEDHM CCC(CC)[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000825095192 608064157 /nfs/dbraw/zinc/06/41/57/608064157.db2.gz FTCFPVBCXMVRAA-JTQLQIEISA-N -1 3 312.377 2.749 20 30 DFEDHM COc1cc(-c2nnn[n-]2)ccc1CON=Cc1ccccc1C ZINC000826173273 608322679 /nfs/dbraw/zinc/32/26/79/608322679.db2.gz VZTUQKMOCSZERI-UHFFFAOYSA-N -1 3 323.356 2.734 20 30 DFEDHM COc1cc(-c2nn[n-]n2)ccc1CON=Cc1ccccc1C ZINC000826173273 608322681 /nfs/dbraw/zinc/32/26/81/608322681.db2.gz VZTUQKMOCSZERI-UHFFFAOYSA-N -1 3 323.356 2.734 20 30 DFEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(C#N)c1F ZINC000825962148 608383690 /nfs/dbraw/zinc/38/36/90/608383690.db2.gz SLAVJGIRUTZPJH-UHFFFAOYSA-N -1 3 322.347 2.509 20 30 DFEDHM N#Cc1cccc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000826387122 608574128 /nfs/dbraw/zinc/57/41/28/608574128.db2.gz HGZSOEBIEJNBHM-UHFFFAOYSA-N -1 3 324.731 2.644 20 30 DFEDHM N#Cc1cccc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000826387122 608574129 /nfs/dbraw/zinc/57/41/29/608574129.db2.gz HGZSOEBIEJNBHM-UHFFFAOYSA-N -1 3 324.731 2.644 20 30 DFEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(O)c1 ZINC000826401097 608878180 /nfs/dbraw/zinc/87/81/80/608878180.db2.gz PHNJBBQIJMJQQQ-FNORWQNLSA-N -1 3 310.288 2.608 20 30 DFEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(O)c1 ZINC000826401097 608878181 /nfs/dbraw/zinc/87/81/81/608878181.db2.gz PHNJBBQIJMJQQQ-FNORWQNLSA-N -1 3 310.288 2.608 20 30 DFEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccsc1 ZINC000826400957 608881404 /nfs/dbraw/zinc/88/14/04/608881404.db2.gz LYRHKMNKPYLPPM-RQOWECAXSA-N -1 3 300.318 2.963 20 30 DFEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccsc1 ZINC000826400957 608881406 /nfs/dbraw/zinc/88/14/06/608881406.db2.gz LYRHKMNKPYLPPM-RQOWECAXSA-N -1 3 300.318 2.963 20 30 DFEDHM CCCCCCC[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825270644 609199133 /nfs/dbraw/zinc/19/91/33/609199133.db2.gz ASMBLOZMRDSDIO-LBPRGKRZSA-N -1 3 318.425 2.921 20 30 DFEDHM CCCCCCC[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825270644 609199134 /nfs/dbraw/zinc/19/91/34/609199134.db2.gz ASMBLOZMRDSDIO-LBPRGKRZSA-N -1 3 318.425 2.921 20 30 DFEDHM N#Cc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000826384442 609270363 /nfs/dbraw/zinc/27/03/63/609270363.db2.gz WBHPZCFPLCLLLJ-SOFGYWHQSA-N -1 3 319.299 2.774 20 30 DFEDHM N#Cc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000826384442 609270365 /nfs/dbraw/zinc/27/03/65/609270365.db2.gz WBHPZCFPLCLLLJ-SOFGYWHQSA-N -1 3 319.299 2.774 20 30 DFEDHM Cc1ncsc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826331431 609272150 /nfs/dbraw/zinc/27/21/50/609272150.db2.gz ICYZPHYREPFKNY-PLNGDYQASA-N -1 3 315.333 2.667 20 30 DFEDHM Cc1ncsc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826331431 609272152 /nfs/dbraw/zinc/27/21/52/609272152.db2.gz ICYZPHYREPFKNY-PLNGDYQASA-N -1 3 315.333 2.667 20 30 DFEDHM Fc1cc(NN=C2CCCc3cc(-c4nn[n-]n4)ccc32)ccn1 ZINC000826372761 609281192 /nfs/dbraw/zinc/28/11/92/609281192.db2.gz KRFKXSIMNUNIPY-UHFFFAOYSA-N -1 3 323.335 2.553 20 30 DFEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccnc1 ZINC000823958614 609470930 /nfs/dbraw/zinc/47/09/30/609470930.db2.gz SPXJKUROQVJVGU-UHFFFAOYSA-N -1 3 313.752 2.751 20 30 DFEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccnc1 ZINC000823958614 609470931 /nfs/dbraw/zinc/47/09/31/609470931.db2.gz SPXJKUROQVJVGU-UHFFFAOYSA-N -1 3 313.752 2.751 20 30 DFEDHM C#CC[C@H](Nc1nccc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000823838442 609582152 /nfs/dbraw/zinc/58/21/52/609582152.db2.gz QLKLLKDEWDNWSR-AWEZNQCLSA-N -1 3 304.357 2.747 20 30 DFEDHM C#CC[C@H](Nc1nccc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000823838442 609582155 /nfs/dbraw/zinc/58/21/55/609582155.db2.gz QLKLLKDEWDNWSR-AWEZNQCLSA-N -1 3 304.357 2.747 20 30 DFEDHM C#C[C@@H](CC)[N-]S(=O)(=O)c1cc(C(=O)CC)ccc1Cl ZINC000490742656 398350168 /nfs/dbraw/zinc/35/01/68/398350168.db2.gz YPOGDWFRPIZRAD-NSHDSACASA-N -1 3 313.806 2.623 20 30 DFEDHM Cc1ncc(CO)c(/C=N/CCc2ccc(Cl)cc2)c1[O-] ZINC000005110644 398350433 /nfs/dbraw/zinc/35/04/33/398350433.db2.gz OJJMKAQFQSBBMI-GIJQJNRQSA-N -1 3 304.777 2.903 20 30 DFEDHM CN(c1cccc([O-])c1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000229514190 398354933 /nfs/dbraw/zinc/35/49/33/398354933.db2.gz NCPYQOHXXCEIPG-UHFFFAOYSA-N -1 3 322.773 2.742 20 30 DFEDHM COc1ccc(F)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000088279693 185244635 /nfs/dbraw/zinc/24/46/35/185244635.db2.gz PCWDKCONLVNCDP-UHFFFAOYSA-N -1 3 306.318 2.507 20 30 DFEDHM Cn1c(SCc2ccc(C#N)cc2C(F)(F)F)n[n-]c1=O ZINC000596259393 398370545 /nfs/dbraw/zinc/37/05/45/398370545.db2.gz RGJBQRILZJSUTD-UHFFFAOYSA-N -1 3 314.292 2.703 20 30 DFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)CC(F)F ZINC000592067306 398379047 /nfs/dbraw/zinc/37/90/47/398379047.db2.gz DLWKVOUHKLECIC-QMMMGPOBSA-N -1 3 322.764 2.781 20 30 DFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)CC(F)F ZINC000592067822 398379504 /nfs/dbraw/zinc/37/95/04/398379504.db2.gz SVPIFSFGAWWWJT-QMMMGPOBSA-N -1 3 322.764 2.781 20 30 DFEDHM C=CCC1(C(=O)Nc2cccc(C(C)=O)c2[O-])CCOCC1 ZINC000580716380 398385228 /nfs/dbraw/zinc/38/52/28/398385228.db2.gz FCKYAFRMKYQAPD-UHFFFAOYSA-N -1 3 303.358 2.906 20 30 DFEDHM Cn1cc(C#N)cc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000083763366 398390817 /nfs/dbraw/zinc/39/08/17/398390817.db2.gz ZQZJNWJVXLFQSF-LLVKDONJSA-N -1 3 318.258 2.801 20 30 DFEDHM Cc1nsc([N-]C(=O)Nc2cc([C@H]3C[C@@H]3C)[nH]n2)c1C#N ZINC000294079631 282439311 /nfs/dbraw/zinc/43/93/11/282439311.db2.gz AAKYCEBWVHRLBW-XPUUQOCRSA-N -1 3 302.363 2.814 20 30 DFEDHM Cc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C2CC2)cc1 ZINC000286798804 219171027 /nfs/dbraw/zinc/17/10/27/219171027.db2.gz YOQYUJYRWKCEEI-MRXNPFEDSA-N -1 3 316.382 2.889 20 30 DFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)c1 ZINC000313476442 398516833 /nfs/dbraw/zinc/51/68/33/398516833.db2.gz FUSNHCNKVQHQDJ-VIFPVBQESA-N -1 3 320.748 2.678 20 30 DFEDHM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)[C@H](c1ccccc1)N(C)C ZINC000589205368 398536856 /nfs/dbraw/zinc/53/68/56/398536856.db2.gz ZSCALWURPNQGIY-SCLBCKFNSA-N -1 3 323.396 2.685 20 30 DFEDHM CC(C)[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1CC1 ZINC000323898273 398561495 /nfs/dbraw/zinc/56/14/95/398561495.db2.gz PBJIXHDDIWOXMK-AWEZNQCLSA-N -1 3 312.822 2.925 20 30 DFEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C1CC1 ZINC000323902654 398561554 /nfs/dbraw/zinc/56/15/54/398561554.db2.gz PZOUNXXEHZUYJW-CQSZACIVSA-N -1 3 312.822 2.925 20 30 DFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000040363854 398561179 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/nfs/dbraw/zinc/28/41/82/333284182.db2.gz GCRMJQHCYRIHLG-LLVKDONJSA-N -1 3 312.439 2.589 20 30 DFEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000320323766 333515308 /nfs/dbraw/zinc/51/53/08/333515308.db2.gz XCMONBXPJMVACV-VIFPVBQESA-N -1 3 324.229 2.599 20 30 DFEDHM CCCOc1ccc(/C=N/CCN2CCSCC2)c([O-])c1 ZINC000264866453 333960243 /nfs/dbraw/zinc/96/02/43/333960243.db2.gz UIQJCKRWPLZCGC-GHRIWEEISA-N -1 3 308.447 2.649 20 30 DFEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2ccccc2[N+](=O)[O-])c1[O-] ZINC000271663847 334025493 /nfs/dbraw/zinc/02/54/93/334025493.db2.gz YMQBYKGJTYVWQA-WBFHQNOSSA-N -1 3 315.329 2.676 20 30 DFEDHM Cc1cc(S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C)c(F)cc1F ZINC000274425702 334061016 /nfs/dbraw/zinc/06/10/16/334061016.db2.gz YXNMXBJMVBFJND-AWEZNQCLSA-N -1 3 316.373 2.880 20 30 DFEDHM CCCCCCCCNC(=O)CNC(=O)c1cccc([O-])c1 ZINC000275358590 334070699 /nfs/dbraw/zinc/07/06/99/334070699.db2.gz SFYQYBLRQOTUNF-UHFFFAOYSA-N -1 3 306.406 2.599 20 30 DFEDHM 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/nfs/dbraw/zinc/30/28/43/337302843.db2.gz VTUFVNUSLQWBIL-UHFFFAOYSA-N -1 3 319.324 2.931 20 30 DFEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)C1=Cc2ccccc2OC1 ZINC000064372375 337302844 /nfs/dbraw/zinc/30/28/44/337302844.db2.gz VTUFVNUSLQWBIL-UHFFFAOYSA-N -1 3 319.324 2.931 20 30 DFEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)C1=Cc2ccccc2OC1 ZINC000064372375 337302845 /nfs/dbraw/zinc/30/28/45/337302845.db2.gz VTUFVNUSLQWBIL-UHFFFAOYSA-N -1 3 319.324 2.931 20 30 DFEDHM CCC[C@H](C#N)NC(=O)Cc1ccc(Br)cc1[O-] ZINC000584668349 337381679 /nfs/dbraw/zinc/38/16/79/337381679.db2.gz XVWLWTMTNDMYHD-LLVKDONJSA-N -1 3 311.179 2.506 20 30 DFEDHM CC(C)(C#N)c1ccc([N-]S(=O)(=O)CCOCC2CC2)cc1 ZINC000424063726 337731024 /nfs/dbraw/zinc/73/10/24/337731024.db2.gz INMHJRRGIXOQLS-UHFFFAOYSA-N -1 3 322.430 2.656 20 30 DFEDHM N#CCCC[C@@H](N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000424172239 337792504 /nfs/dbraw/zinc/79/25/04/337792504.db2.gz DCJZEXHDHYJXOP-SNVBAGLBSA-N -1 3 302.161 2.659 20 30 DFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(CC#N)c3)nc1-2 ZINC000429592660 338085594 /nfs/dbraw/zinc/08/55/94/338085594.db2.gz UEAAOYIUKMZBDY-CQSZACIVSA-N -1 3 315.336 2.822 20 30 DFEDHM N#C[C@]1(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CCOC1 ZINC000436937772 338294558 /nfs/dbraw/zinc/29/45/58/338294558.db2.gz IULIOPWIVYECFY-GOSISDBHSA-N -1 3 324.336 2.597 20 30 DFEDHM C[C@H](C#N)CNN=Cc1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000496354947 340003717 /nfs/dbraw/zinc/00/37/17/340003717.db2.gz BUBFSJRBGVEGNK-SECBINFHSA-N -1 3 309.395 2.573 20 30 DFEDHM C=C(C)CO[N-]C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000496636303 340009393 /nfs/dbraw/zinc/00/93/93/340009393.db2.gz LAULPYXYHZIPMV-CHWSQXEVSA-N -1 3 312.410 2.646 20 30 DFEDHM N#CC(=C([O-])c1cccc([C@@H]2CCCOC2)c1)c1ccncn1 ZINC000546860922 341183845 /nfs/dbraw/zinc/18/38/45/341183845.db2.gz VSNYUUZWBJVPRU-CVEARBPZSA-N -1 3 307.353 2.861 20 30 DFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(N3CCCC3)nc2)nc(C)n1 ZINC000547484455 341216570 /nfs/dbraw/zinc/21/65/70/341216570.db2.gz UYJHIYFGXAFRDW-HNNXBMFYSA-N -1 3 321.384 2.579 20 30 DFEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1[O-] ZINC000268941207 518193239 /nfs/dbraw/zinc/19/32/39/518193239.db2.gz DYNLAEAJCJHNBH-DGURSJAUSA-N -1 3 308.381 2.593 20 30 DFEDHM N#Cc1ccccc1N1CCC[C@@H](NC(=O)c2cccc([O-])c2)C1 ZINC000365020675 526740081 /nfs/dbraw/zinc/74/00/81/526740081.db2.gz ZJZHOCYNULVFIG-MRXNPFEDSA-N -1 3 321.380 2.663 20 30 DFEDHM CCC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820832265 607253344 /nfs/dbraw/zinc/25/33/44/607253344.db2.gz ISMYGGUEKGTESB-UHFFFAOYSA-N -1 3 306.373 2.771 20 30 DFEDHM CCC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820832265 607253345 /nfs/dbraw/zinc/25/33/45/607253345.db2.gz ISMYGGUEKGTESB-UHFFFAOYSA-N -1 3 306.373 2.771 20 30 DFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C)s1 ZINC000819773158 607253522 /nfs/dbraw/zinc/25/35/22/607253522.db2.gz PZGOAQGCMZZFIR-UHFFFAOYSA-N -1 3 312.402 2.750 20 30 DFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C)s1 ZINC000819773158 607253523 /nfs/dbraw/zinc/25/35/23/607253523.db2.gz PZGOAQGCMZZFIR-UHFFFAOYSA-N -1 3 312.402 2.750 20 30 DFEDHM O=C1c2ccc(F)cc2CC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738292186 598978896 /nfs/dbraw/zinc/97/88/96/598978896.db2.gz XZGUPSMHFHFUOO-QPEQYQDCSA-N -1 3 306.300 2.828 20 30 DFEDHM O=C1c2ccc(F)cc2CC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738292186 598978898 /nfs/dbraw/zinc/97/88/98/598978898.db2.gz XZGUPSMHFHFUOO-QPEQYQDCSA-N -1 3 306.300 2.828 20 30 DFEDHM C#CCCCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000819692428 599079518 /nfs/dbraw/zinc/07/95/18/599079518.db2.gz FSBSWULCPDAWHI-UHFFFAOYSA-N -1 3 314.299 2.518 20 30 DFEDHM C#CCCCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000819692428 599079520 /nfs/dbraw/zinc/07/95/20/599079520.db2.gz FSBSWULCPDAWHI-UHFFFAOYSA-N -1 3 314.299 2.518 20 30 DFEDHM CC(=NNc1ccc(Cl)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000819772664 599341667 /nfs/dbraw/zinc/34/16/67/599341667.db2.gz IUKRJFKGDAGREH-UHFFFAOYSA-N -1 3 313.752 2.751 20 30 DFEDHM CC(=NNc1ccc(Cl)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000819772664 599341669 /nfs/dbraw/zinc/34/16/69/599341669.db2.gz IUKRJFKGDAGREH-UHFFFAOYSA-N -1 3 313.752 2.751 20 30 DFEDHM COCc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821696050 599110387 /nfs/dbraw/zinc/11/03/87/599110387.db2.gz UDROGPWSMYPFGG-YHYXMXQVSA-N -1 3 320.352 2.909 20 30 DFEDHM COCc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821696050 599110390 /nfs/dbraw/zinc/11/03/90/599110390.db2.gz UDROGPWSMYPFGG-YHYXMXQVSA-N -1 3 320.352 2.909 20 30 DFEDHM Cc1noc(C)c1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000822519884 599117136 /nfs/dbraw/zinc/11/71/36/599117136.db2.gz NMNHAODNLGEAKU-WQLSENKSSA-N -1 3 321.340 2.684 20 30 DFEDHM Cc1noc(C)c1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000822519884 599117138 /nfs/dbraw/zinc/11/71/38/599117138.db2.gz NMNHAODNLGEAKU-WQLSENKSSA-N -1 3 321.340 2.684 20 30 DFEDHM COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000737080837 599151222 /nfs/dbraw/zinc/15/12/22/599151222.db2.gz HTPRKAZBLAUYDK-KRXBUXKQSA-N -1 3 324.315 2.911 20 30 DFEDHM COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000737080837 599151224 /nfs/dbraw/zinc/15/12/24/599151224.db2.gz HTPRKAZBLAUYDK-KRXBUXKQSA-N -1 3 324.315 2.911 20 30 DFEDHM C[C@H]1CCC[C@@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC000736245643 599196755 /nfs/dbraw/zinc/19/67/55/599196755.db2.gz TYNBPQFFPVEQIE-WDEREUQCSA-N -1 3 310.361 2.503 20 30 DFEDHM C[C@H]1CCC[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC000736245643 599196756 /nfs/dbraw/zinc/19/67/56/599196756.db2.gz TYNBPQFFPVEQIE-WDEREUQCSA-N -1 3 310.361 2.503 20 30 DFEDHM C=C(C)CN(CC)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000819723124 607285941 /nfs/dbraw/zinc/28/59/41/607285941.db2.gz ZOPYSIOXHHONGG-UHFFFAOYSA-N -1 3 300.366 2.605 20 30 DFEDHM C=C(C)CN(CC)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000819723124 607285942 /nfs/dbraw/zinc/28/59/42/607285942.db2.gz ZOPYSIOXHHONGG-UHFFFAOYSA-N -1 3 300.366 2.605 20 30 DFEDHM C=CCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000735408874 598324873 /nfs/dbraw/zinc/32/48/73/598324873.db2.gz UCLQXJPAZHVZHS-UHFFFAOYSA-N -1 3 303.391 2.712 20 30 DFEDHM C=CCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000735408874 598324874 /nfs/dbraw/zinc/32/48/74/598324874.db2.gz UCLQXJPAZHVZHS-UHFFFAOYSA-N -1 3 303.391 2.712 20 30 DFEDHM C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000736163894 598491892 /nfs/dbraw/zinc/49/18/92/598491892.db2.gz SGTULVOYVDQUIF-LLVKDONJSA-N -1 3 319.324 2.656 20 30 DFEDHM C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000736163894 598491894 /nfs/dbraw/zinc/49/18/94/598491894.db2.gz SGTULVOYVDQUIF-LLVKDONJSA-N -1 3 319.324 2.656 20 30 DFEDHM CC(C)(C)CN(CCC#N)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000735603165 598620787 /nfs/dbraw/zinc/62/07/87/598620787.db2.gz YQHZVSDWHOWTCO-UHFFFAOYSA-N -1 3 316.384 2.768 20 30 DFEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)Cc1ccc(F)cc1C#N ZINC000736823622 598680614 /nfs/dbraw/zinc/68/06/14/598680614.db2.gz YPHJVSCSBODMMJ-UHFFFAOYSA-N -1 3 322.347 2.509 20 30 DFEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccc(F)cc1C#N ZINC000736823622 598680616 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C=CCN(C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000819739690 599680556 /nfs/dbraw/zinc/68/05/56/599680556.db2.gz DGDKPOUTORTPSM-LBPRGKRZSA-N -1 3 314.393 2.534 20 30 DFEDHM C=CCN(C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000819739690 599680557 /nfs/dbraw/zinc/68/05/57/599680557.db2.gz DGDKPOUTORTPSM-LBPRGKRZSA-N -1 3 314.393 2.534 20 30 DFEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000736095051 599994892 /nfs/dbraw/zinc/99/48/92/599994892.db2.gz GWYSUOPJRQZHLV-UHFFFAOYSA-N -1 3 317.389 2.547 20 30 DFEDHM C=CCCCN(C)[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000736102640 600262564 /nfs/dbraw/zinc/26/25/64/600262564.db2.gz SQBJODBWROWAIM-CYBMUJFWSA-N -1 3 304.390 2.918 20 30 DFEDHM COCc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737833972 600593733 /nfs/dbraw/zinc/59/37/33/600593733.db2.gz GHCJFMNJCLVBQL-KRWDZBQOSA-N -1 3 310.353 2.620 20 30 DFEDHM CC(C)N(CCC(=O)[O-])Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000736467878 600609779 /nfs/dbraw/zinc/60/97/79/600609779.db2.gz 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CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cc(F)cc(F)c1 ZINC000819772304 606700928 /nfs/dbraw/zinc/70/09/28/606700928.db2.gz BVUBZUNSMRLXQQ-UHFFFAOYSA-N -1 3 314.299 2.981 20 30 DFEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cc(F)cc(F)c1 ZINC000819772304 606700929 /nfs/dbraw/zinc/70/09/29/606700929.db2.gz BVUBZUNSMRLXQQ-UHFFFAOYSA-N -1 3 314.299 2.981 20 30 DFEDHM N#CCOc1cc(F)ccc1NCc1ccccc1-c1nnn[n-]1 ZINC000822811072 606709037 /nfs/dbraw/zinc/70/90/37/606709037.db2.gz SBQDTBWWEYYWHT-UHFFFAOYSA-N -1 3 324.319 2.520 20 30 DFEDHM N#CCOc1cc(F)ccc1NCc1ccccc1-c1nn[n-]n1 ZINC000822811072 606709039 /nfs/dbraw/zinc/70/90/39/606709039.db2.gz SBQDTBWWEYYWHT-UHFFFAOYSA-N -1 3 324.319 2.520 20 30 DFEDHM CCC(CC)(CC)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820882134 606732422 /nfs/dbraw/zinc/73/24/22/606732422.db2.gz KNQWCQGOKBSLIQ-UHFFFAOYSA-N -1 3 312.377 2.893 20 30 DFEDHM CCC(CC)(CC)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820882134 606732424 /nfs/dbraw/zinc/73/24/24/606732424.db2.gz KNQWCQGOKBSLIQ-UHFFFAOYSA-N -1 3 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C[C@H]1CC[C@H](CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1 ZINC000820683856 607092704 /nfs/dbraw/zinc/09/27/04/607092704.db2.gz IGIWTMGNGXVUPD-QWRGUYRKSA-N -1 3 310.361 2.503 20 30 DFEDHM C[C@@H]1CC[C@H](CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1 ZINC000820683855 607092861 /nfs/dbraw/zinc/09/28/61/607092861.db2.gz IGIWTMGNGXVUPD-MNOVXSKESA-N -1 3 310.361 2.503 20 30 DFEDHM C[C@@H]1CC[C@H](CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1 ZINC000820683855 607092862 /nfs/dbraw/zinc/09/28/62/607092862.db2.gz IGIWTMGNGXVUPD-MNOVXSKESA-N -1 3 310.361 2.503 20 30 DFEDHM N#Cc1ccc(F)c(COc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822829866 607170728 /nfs/dbraw/zinc/17/07/28/607170728.db2.gz MSQHTYPTGAYYHA-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM N#Cc1ccc(F)c(COc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822829866 607170729 /nfs/dbraw/zinc/17/07/29/607170729.db2.gz MSQHTYPTGAYYHA-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM COc1ccc(C=CC(=O)c2occc2C)cc1-c1nnn[n-]1 ZINC000821787042 607251866 /nfs/dbraw/zinc/25/18/66/607251866.db2.gz NMYAJNBPSDZVDN-HWKANZROSA-N -1 3 310.313 2.673 20 30 DFEDHM COc1ccc(C=CC(=O)c2occc2C)cc1-c1nn[n-]n1 ZINC000821787042 607251867 /nfs/dbraw/zinc/25/18/67/607251867.db2.gz NMYAJNBPSDZVDN-HWKANZROSA-N -1 3 310.313 2.673 20 30 DFEDHM Fc1ccc(NN=Cc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000826375528 607882282 /nfs/dbraw/zinc/88/22/82/607882282.db2.gz QZRQYVYESQSAAE-UHFFFAOYSA-N -1 3 300.272 2.591 20 30 DFEDHM Fc1ccc(NN=Cc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000826375528 607882283 /nfs/dbraw/zinc/88/22/83/607882283.db2.gz QZRQYVYESQSAAE-UHFFFAOYSA-N -1 3 300.272 2.591 20 30 DFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000826402241 607883176 /nfs/dbraw/zinc/88/31/76/607883176.db2.gz POGZZFWCIQGVOZ-YFHOEESVSA-N -1 3 321.296 2.671 20 30 DFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000826402241 607883177 /nfs/dbraw/zinc/88/31/77/607883177.db2.gz POGZZFWCIQGVOZ-YFHOEESVSA-N -1 3 321.296 2.671 20 30 DFEDHM COc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826187438 607883321 /nfs/dbraw/zinc/88/33/21/607883321.db2.gz PTHCENCTHAKVBY-DHZHZOJOSA-N -1 3 306.325 2.771 20 30 DFEDHM COc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826187438 607883322 /nfs/dbraw/zinc/88/33/22/607883322.db2.gz PTHCENCTHAKVBY-DHZHZOJOSA-N -1 3 306.325 2.771 20 30 DFEDHM O=C1C(=Cc2ccccc2-c2nnn[n-]2)COc2ccccc21 ZINC000826476394 607883941 /nfs/dbraw/zinc/88/39/41/607883941.db2.gz GNUIRTMOBUNHIW-XFXZXTDPSA-N -1 3 304.309 2.525 20 30 DFEDHM O=C1C(=Cc2ccccc2-c2nn[n-]n2)COc2ccccc21 ZINC000826476394 607883942 /nfs/dbraw/zinc/88/39/42/607883942.db2.gz GNUIRTMOBUNHIW-XFXZXTDPSA-N -1 3 304.309 2.525 20 30 DFEDHM Clc1ccc(CNN=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826351878 607889573 /nfs/dbraw/zinc/88/95/73/607889573.db2.gz FHFAIXBXIQJYDC-UHFFFAOYSA-N -1 3 312.764 2.644 20 30 DFEDHM Clc1ccc(CNN=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826351878 607889574 /nfs/dbraw/zinc/88/95/74/607889574.db2.gz FHFAIXBXIQJYDC-UHFFFAOYSA-N -1 3 312.764 2.644 20 30 DFEDHM COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000826187550 607915839 /nfs/dbraw/zinc/91/58/39/607915839.db2.gz VUMJJHGTDZBTRG-YCRREMRBSA-N -1 3 324.315 2.911 20 30 DFEDHM COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826187550 607915840 /nfs/dbraw/zinc/91/58/40/607915840.db2.gz VUMJJHGTDZBTRG-YCRREMRBSA-N -1 3 324.315 2.911 20 30 DFEDHM N#Cc1ccc2c(c1)N(c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC000826386263 607936081 /nfs/dbraw/zinc/93/60/81/607936081.db2.gz WQAFDDWMIUYALB-UHFFFAOYSA-N -1 3 306.304 2.572 20 30 DFEDHM N#Cc1ccc2c(c1)N(c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC000826386263 607936082 /nfs/dbraw/zinc/93/60/82/607936082.db2.gz WQAFDDWMIUYALB-UHFFFAOYSA-N -1 3 306.304 2.572 20 30 DFEDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cccc(C#N)c1 ZINC000825782479 607975310 /nfs/dbraw/zinc/97/53/10/607975310.db2.gz FPWGTWYQWPCSIN-UHFFFAOYSA-N -1 3 315.340 2.775 20 30 DFEDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cccc(C#N)c1 ZINC000825782479 607975311 /nfs/dbraw/zinc/97/53/11/607975311.db2.gz FPWGTWYQWPCSIN-UHFFFAOYSA-N -1 3 315.340 2.775 20 30 DFEDHM N#CCCCCNc1ccc(-c2nn[n-]n2)cc1Br ZINC000826381334 608049314 /nfs/dbraw/zinc/04/93/14/608049314.db2.gz HWIBXJGBBAJSPH-UHFFFAOYSA-N -1 3 321.182 2.735 20 30 DFEDHM N#Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)s1 ZINC000826384322 608092944 /nfs/dbraw/zinc/09/29/44/608092944.db2.gz QTHTUIOVZLSKFP-DAFODLJHSA-N -1 3 313.367 2.757 20 30 DFEDHM CC(=NNCc1cccc(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823953460 608094346 /nfs/dbraw/zinc/09/43/46/608094346.db2.gz AVIMVFDHEIUXTB-UHFFFAOYSA-N -1 3 316.365 2.581 20 30 DFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)s1 ZINC000823958595 608094675 /nfs/dbraw/zinc/09/46/75/608094675.db2.gz RUDGSOHFPFXSSB-UHFFFAOYSA-N -1 3 309.358 2.636 20 30 DFEDHM c1ccc2c(c1)OCCC2=NOCc1cccc(-c2nnn[n-]2)c1 ZINC000826516261 608151464 /nfs/dbraw/zinc/15/14/64/608151464.db2.gz DEGRAKQZMMRXLD-UHFFFAOYSA-N -1 3 321.340 2.570 20 30 DFEDHM c1ccc2c(c1)OCCC2=NOCc1cccc(-c2nn[n-]n2)c1 ZINC000826516261 608151466 /nfs/dbraw/zinc/15/14/66/608151466.db2.gz DEGRAKQZMMRXLD-UHFFFAOYSA-N -1 3 321.340 2.570 20 30 DFEDHM COc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000826177097 608230764 /nfs/dbraw/zinc/23/07/64/608230764.db2.gz QZROHXOSYWXBLJ-RUDMXATFSA-N -1 3 324.315 2.911 20 30 DFEDHM COc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000826177097 608230765 /nfs/dbraw/zinc/23/07/65/608230765.db2.gz QZROHXOSYWXBLJ-RUDMXATFSA-N -1 3 324.315 2.911 20 30 DFEDHM C=CCC[C@@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000823894644 608275390 /nfs/dbraw/zinc/27/53/90/608275390.db2.gz VLGLSFOAMLTAOU-NEPJUHHUSA-N -1 3 316.361 2.532 20 30 DFEDHM C=CCC[C@@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000823894644 608275392 /nfs/dbraw/zinc/27/53/92/608275392.db2.gz VLGLSFOAMLTAOU-NEPJUHHUSA-N -1 3 316.361 2.532 20 30 DFEDHM C=CCCC[C@@H](C)OC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000823894525 608333064 /nfs/dbraw/zinc/33/30/64/608333064.db2.gz SFXNJOGMLHWYMU-GFCCVEGCSA-N -1 3 316.361 2.534 20 30 DFEDHM Cc1ccoc1C(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000823958294 608533686 /nfs/dbraw/zinc/53/36/86/608533686.db2.gz HYPGHVGMCUZBTN-UHFFFAOYSA-N -1 3 317.740 2.653 20 30 DFEDHM Cc1ccoc1C(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000823958294 608533687 /nfs/dbraw/zinc/53/36/87/608533687.db2.gz HYPGHVGMCUZBTN-UHFFFAOYSA-N -1 3 317.740 2.653 20 30 DFEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)C1CCCC1 ZINC000823953721 608536839 /nfs/dbraw/zinc/53/68/39/608536839.db2.gz NCBHYNNSFSBUOC-UHFFFAOYSA-N -1 3 305.773 2.893 20 30 DFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)C1CCCC1 ZINC000823953721 608536841 /nfs/dbraw/zinc/53/68/41/608536841.db2.gz NCBHYNNSFSBUOC-UHFFFAOYSA-N -1 3 305.773 2.893 20 30 DFEDHM C#CCCCCC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000823838844 608574538 /nfs/dbraw/zinc/57/45/38/608574538.db2.gz VTYBKVAXGVLWFW-UHFFFAOYSA-N -1 3 314.393 2.555 20 30 DFEDHM C#CCCCCC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000823838844 608574539 /nfs/dbraw/zinc/57/45/39/608574539.db2.gz VTYBKVAXGVLWFW-UHFFFAOYSA-N -1 3 314.393 2.555 20 30 DFEDHM Cc1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)ccc1O ZINC000826256904 608880829 /nfs/dbraw/zinc/88/08/29/608880829.db2.gz FWOOXVVXXOLTCB-ZZXKWVIFSA-N -1 3 324.315 2.916 20 30 DFEDHM CC(=NNc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958380 609159027 /nfs/dbraw/zinc/15/90/27/609159027.db2.gz LUDYBLMAIFSNAW-UHFFFAOYSA-N -1 3 321.319 2.714 20 30 DFEDHM CC(=NNc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958380 609159028 /nfs/dbraw/zinc/15/90/28/609159028.db2.gz LUDYBLMAIFSNAW-UHFFFAOYSA-N -1 3 321.319 2.714 20 30 DFEDHM CCCCCCC[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825270640 609199038 /nfs/dbraw/zinc/19/90/38/609199038.db2.gz ASMBLOZMRDSDIO-GFCCVEGCSA-N -1 3 318.425 2.921 20 30 DFEDHM CCCCCCC[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825270640 609199040 /nfs/dbraw/zinc/19/90/40/609199040.db2.gz ASMBLOZMRDSDIO-GFCCVEGCSA-N -1 3 318.425 2.921 20 30 DFEDHM O=C(C=Cc1cccs1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402916 609271139 /nfs/dbraw/zinc/27/11/39/609271139.db2.gz FZTAPKFIADFDPX-XQRVVYSFSA-N -1 3 300.318 2.963 20 30 DFEDHM O=C(C=Cc1cccs1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402916 609271140 /nfs/dbraw/zinc/27/11/40/609271140.db2.gz FZTAPKFIADFDPX-XQRVVYSFSA-N -1 3 300.318 2.963 20 30 DFEDHM CC(=NNCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953643 609275402 /nfs/dbraw/zinc/27/54/02/609275402.db2.gz JYFALOSHGGTJSP-UHFFFAOYSA-N -1 3 310.336 2.520 20 30 DFEDHM CC(=NNCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953643 609275403 /nfs/dbraw/zinc/27/54/03/609275403.db2.gz JYFALOSHGGTJSP-UHFFFAOYSA-N -1 3 310.336 2.520 20 30 DFEDHM CC(=NNc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823962314 609275970 /nfs/dbraw/zinc/27/59/70/609275970.db2.gz JEOJQHZDKJBISC-UHFFFAOYSA-N -1 3 314.299 2.981 20 30 DFEDHM CC(=NNc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823962314 609275971 /nfs/dbraw/zinc/27/59/71/609275971.db2.gz JEOJQHZDKJBISC-UHFFFAOYSA-N -1 3 314.299 2.981 20 30 DFEDHM CC1(C)CC[C@@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC000824795819 609386825 /nfs/dbraw/zinc/38/68/25/609386825.db2.gz GASADALFGSTBHE-SNVBAGLBSA-N -1 3 310.361 2.503 20 30 DFEDHM CC1(C)CC[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC000824795819 609386826 /nfs/dbraw/zinc/38/68/26/609386826.db2.gz GASADALFGSTBHE-SNVBAGLBSA-N -1 3 310.361 2.503 20 30 DFEDHM C=CCCNc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000823899139 609444842 /nfs/dbraw/zinc/44/48/42/609444842.db2.gz NFBQIBWDTLNKJF-UHFFFAOYSA-N -1 3 315.768 2.694 20 30 DFEDHM C=CCCNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000823899139 609444845 /nfs/dbraw/zinc/44/48/45/609444845.db2.gz NFBQIBWDTLNKJF-UHFFFAOYSA-N -1 3 315.768 2.694 20 30 DFEDHM C[C@@H](C#N)Oc1ccc(CNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824033796 609474462 /nfs/dbraw/zinc/47/44/62/609474462.db2.gz BCSYILHHNUEAFK-LBPRGKRZSA-N -1 3 320.356 2.770 20 30 DFEDHM C[C@@H](C#N)Oc1ccc(CNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824033796 609474463 /nfs/dbraw/zinc/47/44/63/609474463.db2.gz BCSYILHHNUEAFK-LBPRGKRZSA-N -1 3 320.356 2.770 20 30 DFEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000278461687 214169335 /nfs/dbraw/zinc/16/93/35/214169335.db2.gz AZNYDOMANNSVHQ-DGCLKSJQSA-N -1 3 316.336 2.531 20 30 DFEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(OC(F)F)cc2)c1[O-] ZINC000011117349 398381025 /nfs/dbraw/zinc/38/10/25/398381025.db2.gz NCXDQVYVRFUFDR-UFWORHAWSA-N -1 3 322.311 2.808 20 30 DFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000592100804 398383548 /nfs/dbraw/zinc/38/35/48/398383548.db2.gz PLLCLFDFGFQJGB-DMDPSCGWSA-N -1 3 310.806 2.679 20 30 DFEDHM COc1ccc(CNCC2(C#N)CC2)c(Br)c1[O-] ZINC000581287298 398389172 /nfs/dbraw/zinc/38/91/72/398389172.db2.gz DNRWHFRQEWATQI-UHFFFAOYSA-N -1 3 311.179 2.557 20 30 DFEDHM C=C(C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC000588138626 398484658 /nfs/dbraw/zinc/48/46/58/398484658.db2.gz BREIFJRPZSHPJK-UHFFFAOYSA-N -1 3 316.357 2.689 20 30 DFEDHM C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000068237663 398489582 /nfs/dbraw/zinc/48/95/82/398489582.db2.gz AQILLWJWKLGJFA-LLVKDONJSA-N -1 3 309.329 2.922 20 30 DFEDHM C[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000068237663 398489585 /nfs/dbraw/zinc/48/95/85/398489585.db2.gz AQILLWJWKLGJFA-LLVKDONJSA-N -1 3 309.329 2.922 20 30 DFEDHM C[C@@H](Oc1ccccc1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000068237663 398489589 /nfs/dbraw/zinc/48/95/89/398489589.db2.gz AQILLWJWKLGJFA-LLVKDONJSA-N -1 3 309.329 2.922 20 30 DFEDHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000230349910 201878394 /nfs/dbraw/zinc/87/83/94/201878394.db2.gz DDHADUGCBJSXEM-ZJUUUORDSA-N -1 3 316.473 2.572 20 30 DFEDHM Cc1sc(C(=O)[N-]c2nnc3ccccn32)cc1[N+](=O)[O-] ZINC000030691488 398505132 /nfs/dbraw/zinc/50/51/32/398505132.db2.gz ITPVNLZEMYMIGT-UHFFFAOYSA-N -1 3 303.303 2.644 20 30 DFEDHM C=CCCC[C@H](C)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000091514515 398534724 /nfs/dbraw/zinc/53/47/24/398534724.db2.gz OKRHGASUKQINOY-HNNXBMFYSA-N -1 3 302.418 2.895 20 30 DFEDHM CCCCCc1nnc([N-]C(=O)c2cccc(C#N)n2)s1 ZINC000589273441 398543092 /nfs/dbraw/zinc/54/30/92/398543092.db2.gz XNFKBVCCXNKPQQ-UHFFFAOYSA-N -1 3 301.375 2.790 20 30 DFEDHM COc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000041553941 398569718 /nfs/dbraw/zinc/56/97/18/398569718.db2.gz QONREYWGICRRCV-NSHDSACASA-N -1 3 321.258 2.994 20 30 DFEDHM CC(C)CCN(CCC#N)C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000597145441 398575203 /nfs/dbraw/zinc/57/52/03/398575203.db2.gz QSSIPWHIFDJPLF-UHFFFAOYSA-N -1 3 300.362 2.670 20 30 DFEDHM Cc1nn2c(nc(C)cc2C)c1C([O-])=C(C#N)c1ccccn1 ZINC000069952444 398590059 /nfs/dbraw/zinc/59/00/59/398590059.db2.gz OQQRYKGROFFJJM-ZDUSSCGKSA-N -1 3 305.341 2.540 20 30 DFEDHM COC(=O)c1ccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)[n-]1 ZINC000590031787 398591752 /nfs/dbraw/zinc/59/17/52/398591752.db2.gz VMSBUBINHQDPFI-GFCCVEGCSA-N -1 3 319.320 2.840 20 30 DFEDHM N#Cc1cscc1C(=O)[N-]c1ncn(Cc2ccccc2)n1 ZINC000590107589 398596512 /nfs/dbraw/zinc/59/65/12/398596512.db2.gz CEJNAYBQFZMEHY-UHFFFAOYSA-N -1 3 309.354 2.512 20 30 DFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000071656202 398612261 /nfs/dbraw/zinc/61/22/61/398612261.db2.gz MRBFFHJDWRPXMJ-CYBMUJFWSA-N -1 3 300.811 2.698 20 30 DFEDHM C[C@H](NC(=O)c1ccc2[nH][n-]c(=O)c2c1)c1ccc(C#N)cc1 ZINC000590420999 398621063 /nfs/dbraw/zinc/62/10/63/398621063.db2.gz RUUDTQXBJKWNPS-JTQLQIEISA-N -1 3 306.325 2.631 20 30 DFEDHM C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593532421 398653135 /nfs/dbraw/zinc/65/31/35/398653135.db2.gz VQDOEXGVEADIDM-VIFPVBQESA-N -1 3 312.441 2.591 20 30 DFEDHM Cc1cc(F)c(S(=O)(=O)[N-]CC2(C#N)CCCC2)cc1F ZINC000593620506 398663494 /nfs/dbraw/zinc/66/34/94/398663494.db2.gz QDVMHBFYMIEPBP-UHFFFAOYSA-N -1 3 314.357 2.636 20 30 DFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C2(C3CCC3)CC2)c1 ZINC000593646039 398665074 /nfs/dbraw/zinc/66/50/74/398665074.db2.gz LCEHWQWAXBJIKZ-UHFFFAOYSA-N -1 3 310.806 2.823 20 30 DFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C1(C2CCC2)CC1 ZINC000593643788 398665246 /nfs/dbraw/zinc/66/52/46/398665246.db2.gz DMTQBGBWNCTWHV-UHFFFAOYSA-N -1 3 310.806 2.823 20 30 DFEDHM CCn1nc(C)cc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000102115715 398675922 /nfs/dbraw/zinc/67/59/22/398675922.db2.gz WYOHRPKTPNFUPT-GFCCVEGCSA-N -1 3 307.357 2.588 20 30 DFEDHM Cc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccc1F ZINC000103640588 398685610 /nfs/dbraw/zinc/68/56/10/398685610.db2.gz TYMLYSPXCLMXCG-CYBMUJFWSA-N -1 3 312.348 2.942 20 30 DFEDHM CC[C@@H](C)N(CC)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000597855570 398705480 /nfs/dbraw/zinc/70/54/80/398705480.db2.gz SSKUULASINJOCV-LLVKDONJSA-N -1 3 303.406 2.855 20 30 DFEDHM CCOc1nc2cc(C(=O)N3CCC[C@@H](CC#N)C3)ccc2[n-]1 ZINC000597905998 398717155 /nfs/dbraw/zinc/71/71/55/398717155.db2.gz RUGMJJVLBFBZEE-LBPRGKRZSA-N -1 3 312.373 2.727 20 30 DFEDHM CCOc1nc2ccc(C(=O)N3CCC[C@@H](CC#N)C3)cc2[n-]1 ZINC000597905998 398717159 /nfs/dbraw/zinc/71/71/59/398717159.db2.gz RUGMJJVLBFBZEE-LBPRGKRZSA-N -1 3 312.373 2.727 20 30 DFEDHM C=C[C@](C)(CC)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281583314 334981215 /nfs/dbraw/zinc/98/12/15/334981215.db2.gz 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COc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000821854587 606387156 /nfs/dbraw/zinc/38/71/56/606387156.db2.gz OMPVMCBOYZSDEX-ALCCZGGFSA-N -1 3 312.354 2.833 20 30 DFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1c[nH]c2ncccc12 ZINC000822923755 606778094 /nfs/dbraw/zinc/77/80/94/606778094.db2.gz TVGWUJZMRCONCX-HYXAFXHYSA-N -1 3 322.353 2.701 20 30 DFEDHM C=C(Br)COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000819718507 606786266 /nfs/dbraw/zinc/78/62/66/606786266.db2.gz KIVFCFMIOVWIPN-UHFFFAOYSA-N -1 3 315.558 2.808 20 30 DFEDHM C=C(Br)COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000819718507 606786268 /nfs/dbraw/zinc/78/62/68/606786268.db2.gz KIVFCFMIOVWIPN-UHFFFAOYSA-N -1 3 315.558 2.808 20 30 DFEDHM CCC1(CC)C(N=Nc2ccc(-c3nnn[n-]3)cc2)C[C@H]1OC ZINC000820956706 606819830 /nfs/dbraw/zinc/81/98/30/606819830.db2.gz JXBQBMRXSZQXGM-CQSZACIVSA-N -1 3 314.393 2.860 20 30 DFEDHM CCC1(CC)C(N=Nc2ccc(-c3nn[n-]n3)cc2)C[C@H]1OC ZINC000820956706 606819832 /nfs/dbraw/zinc/81/98/32/606819832.db2.gz JXBQBMRXSZQXGM-CQSZACIVSA-N -1 3 314.393 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DOXIMLASHXLRBP-UHFFFAOYSA-N -1 3 318.768 2.726 20 30 DFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000826402061 607884047 /nfs/dbraw/zinc/88/40/47/607884047.db2.gz MIPOATVEYGBGCW-HJWRWDBZSA-N -1 3 321.296 2.671 20 30 DFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000826402061 607884048 /nfs/dbraw/zinc/88/40/48/607884048.db2.gz MIPOATVEYGBGCW-HJWRWDBZSA-N -1 3 321.296 2.671 20 30 DFEDHM O=C1c2cccc(F)c2CC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826476595 607884991 /nfs/dbraw/zinc/88/49/91/607884991.db2.gz KXURWXOOQKTOFB-DHZHZOJOSA-N -1 3 306.300 2.828 20 30 DFEDHM O=C1c2cccc(F)c2CC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826476595 607884992 /nfs/dbraw/zinc/88/49/92/607884992.db2.gz KXURWXOOQKTOFB-DHZHZOJOSA-N -1 3 306.300 2.828 20 30 DFEDHM O=C1c2cc(F)ccc2OC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826476340 607885190 /nfs/dbraw/zinc/88/51/90/607885190.db2.gz FYAXWLWDSFBJEX-AUWJEWJLSA-N -1 3 308.272 2.622 20 30 DFEDHM O=C1c2cc(F)ccc2OC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826476340 607885191 /nfs/dbraw/zinc/88/51/91/607885191.db2.gz FYAXWLWDSFBJEX-AUWJEWJLSA-N -1 3 308.272 2.622 20 30 DFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1c[nH]c2ncccc12 ZINC000826401769 607885524 /nfs/dbraw/zinc/88/55/24/607885524.db2.gz GHADKZQLSRCESE-FPLPWBNLSA-N -1 3 316.324 2.639 20 30 DFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1c[nH]c2ncccc12 ZINC000826401769 607885525 /nfs/dbraw/zinc/88/55/25/607885525.db2.gz GHADKZQLSRCESE-FPLPWBNLSA-N -1 3 316.324 2.639 20 30 DFEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000823861963 607889791 /nfs/dbraw/zinc/88/97/91/607889791.db2.gz VFGZLIQXTKSBCM-IAGOWNOFSA-N -1 3 318.384 2.746 20 30 DFEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000823861963 607889792 /nfs/dbraw/zinc/88/97/92/607889792.db2.gz VFGZLIQXTKSBCM-IAGOWNOFSA-N -1 3 318.384 2.746 20 30 DFEDHM CC1(C)CCC[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC000824802055 607926408 /nfs/dbraw/zinc/92/64/08/607926408.db2.gz KTKVTHKVPGYJBA-NSHDSACASA-N -1 3 324.388 2.893 20 30 DFEDHM CC1(C)CCC[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC000824802055 607926409 /nfs/dbraw/zinc/92/64/09/607926409.db2.gz KTKVTHKVPGYJBA-NSHDSACASA-N -1 3 324.388 2.893 20 30 DFEDHM CCn1c2ccc(C#N)cc2nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825782590 607975953 /nfs/dbraw/zinc/97/59/53/607975953.db2.gz IADRLSSKEDXAGW-UHFFFAOYSA-N -1 3 315.340 2.775 20 30 DFEDHM CCn1c2ccc(C#N)cc2nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825782590 607975954 /nfs/dbraw/zinc/97/59/54/607975954.db2.gz IADRLSSKEDXAGW-UHFFFAOYSA-N -1 3 315.340 2.775 20 30 DFEDHM CCC(CC)[C@@H](C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000825095449 608064020 /nfs/dbraw/zinc/06/40/20/608064020.db2.gz GODACIUKBDMSBR-SNVBAGLBSA-N -1 3 312.377 2.749 20 30 DFEDHM CCC(CC)[C@@H](C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000825095449 608064021 /nfs/dbraw/zinc/06/40/21/608064021.db2.gz GODACIUKBDMSBR-SNVBAGLBSA-N -1 3 312.377 2.749 20 30 DFEDHM N#Cc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)s1 ZINC000826384292 608092815 /nfs/dbraw/zinc/09/28/15/608092815.db2.gz OYRHZAUYTRACIL-FNORWQNLSA-N -1 3 307.338 2.696 20 30 DFEDHM N#Cc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)s1 ZINC000826384292 608092816 /nfs/dbraw/zinc/09/28/16/608092816.db2.gz OYRHZAUYTRACIL-FNORWQNLSA-N -1 3 307.338 2.696 20 30 DFEDHM N#Cc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)s1 ZINC000826384277 608093889 /nfs/dbraw/zinc/09/38/89/608093889.db2.gz ONTPXPMDYWGDBJ-HNQUOIGGSA-N -1 3 313.367 2.757 20 30 DFEDHM N#Cc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)s1 ZINC000826384277 608093890 /nfs/dbraw/zinc/09/38/90/608093890.db2.gz ONTPXPMDYWGDBJ-HNQUOIGGSA-N -1 3 313.367 2.757 20 30 DFEDHM COc1ccc(C#N)cc1COc1ccc(-c2nn[n-]n2)cc1C ZINC000826187013 608152222 /nfs/dbraw/zinc/15/22/22/608152222.db2.gz VMBXKLRTKHDOND-UHFFFAOYSA-N -1 3 321.340 2.634 20 30 DFEDHM N#Cc1c(Cl)nsc1Sc1ccc(-c2nnn[n-]2)cc1 ZINC000826383038 608179502 /nfs/dbraw/zinc/17/95/02/608179502.db2.gz HOWWQRLJRVNMRL-UHFFFAOYSA-N -1 3 320.790 2.999 20 30 DFEDHM N#Cc1c(Cl)nsc1Sc1ccc(-c2nn[n-]n2)cc1 ZINC000826383038 608179504 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ZINC000294903497 334214220 /nfs/dbraw/zinc/21/42/20/334214220.db2.gz JOYZLTNQMWBOIN-INIZCTEOSA-N -1 3 311.345 2.786 20 30 DFEDHM Cc1ccc(-c2nc(NC(=O)[C@@]3(C#N)CC34CCCC4)n[n-]2)o1 ZINC000294903497 334214221 /nfs/dbraw/zinc/21/42/21/334214221.db2.gz JOYZLTNQMWBOIN-INIZCTEOSA-N -1 3 311.345 2.786 20 30 DFEDHM Cc1ncc(CO)c(/C=N/CCO[C@@H]2CCCC[C@@H]2C)c1[O-] ZINC000298630398 334250232 /nfs/dbraw/zinc/25/02/32/334250232.db2.gz FPNUREDPBJNYGS-BSNGOPDNSA-N -1 3 306.406 2.602 20 30 DFEDHM COc1cc(C/N=C/c2c([O-])c(C)ncc2CO)ccc1C ZINC000299143235 334253426 /nfs/dbraw/zinc/25/34/26/334253426.db2.gz APIRYHXUXDZVTG-GIJQJNRQSA-N -1 3 300.358 2.524 20 30 DFEDHM Cc1ncc(CO)c(/C=N/C[C@@H](C)c2ccc(F)cc2)c1[O-] ZINC000299151635 334253525 /nfs/dbraw/zinc/25/35/25/334253525.db2.gz FQDLDLWMXMJJFP-YXZFXQPTSA-N -1 3 302.349 2.950 20 30 DFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCc3cc(F)ccc32)c1[O-] ZINC000299165632 334253837 /nfs/dbraw/zinc/25/38/37/334253837.db2.gz NXVHXZNHIJJAKZ-MTRWVZMLSA-N -1 3 300.333 2.833 20 30 DFEDHM COc1ccccc1C1(C/N=C/c2ccc(O)c([O-])c2O)CC1 ZINC000299540531 334256253 /nfs/dbraw/zinc/25/62/53/334256253.db2.gz NIBXDTQXYNATML-VXLYETTFSA-N -1 3 313.353 2.963 20 30 DFEDHM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cccc([O-])c1 ZINC000342400802 334538593 /nfs/dbraw/zinc/53/85/93/334538593.db2.gz WICQHUDHFIBNLA-UHFFFAOYSA-N -1 3 301.342 2.696 20 30 DFEDHM Cc1nc(C(C)(C)NC(=O)C[C@@H]2NC(=O)[N-]C2=O)sc1C ZINC000328799295 334757841 /nfs/dbraw/zinc/75/78/41/334757841.db2.gz HATCXNDNDOMIAD-QMMMGPOBSA-N -1 3 310.379 2.594 20 30 DFEDHM CC[C@H](C)[C@@H](NC(=O)c1cc(=O)[n-]c(N(C)C)n1)C(F)(F)F ZINC000331267170 334847402 /nfs/dbraw/zinc/84/74/02/334847402.db2.gz CYHXGXRXZRASSL-OIBJUYFYSA-N -1 3 320.315 2.530 20 30 DFEDHM Cc1cc(C(C#N)=C([O-])c2ccc3nsnc3c2)nc(C)n1 ZINC000344453582 335250075 /nfs/dbraw/zinc/25/00/75/335250075.db2.gz RPLOWDWRDSIVCP-NSHDSACASA-N -1 3 309.354 2.588 20 30 DFEDHM N#CC(=C([O-])c1cnn(CCF)c1)c1nccc2ccccc21 ZINC000344881519 335282542 /nfs/dbraw/zinc/28/25/42/335282542.db2.gz MTMOOEAJBPICAN-OAHLLOKOSA-N -1 3 308.316 2.891 20 30 DFEDHM Cc1cc(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)ccc1[O-] ZINC000344910086 335284983 /nfs/dbraw/zinc/28/49/83/335284983.db2.gz JWFIQGDWQYZWHU-SJLPKXTDSA-N -1 3 314.385 2.768 20 30 DFEDHM Cc1cccc2[nH]c([C@H](C#N)C(=O)c3ccc([N+](=O)[O-])[n-]3)nc21 ZINC000345397142 335323214 /nfs/dbraw/zinc/32/32/14/335323214.db2.gz NLFBKTLCBVXUNA-SECBINFHSA-N -1 3 309.285 2.598 20 30 DFEDHM Cc1cccc2nc([C@H](C#N)C(=O)c3ccc([N+](=O)[O-])[n-]3)[nH]c21 ZINC000345397142 335323215 /nfs/dbraw/zinc/32/32/15/335323215.db2.gz NLFBKTLCBVXUNA-SECBINFHSA-N -1 3 309.285 2.598 20 30 DFEDHM Cc1cc(S(=O)(=O)[N-][C@H](C#N)C(C)C)c(Cl)cc1F ZINC000345581685 335336046 /nfs/dbraw/zinc/33/60/46/335336046.db2.gz FUQXFKOOBWVBDE-LLVKDONJSA-N -1 3 304.774 2.614 20 30 DFEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000345638984 335338802 /nfs/dbraw/zinc/33/88/02/335338802.db2.gz RLNVNFXAIAZQAQ-JTQLQIEISA-N -1 3 324.299 2.671 20 30 DFEDHM N#CC1(NC(=O)CCCc2ccc([O-])c(F)c2)CCSCC1 ZINC000345794466 335351779 /nfs/dbraw/zinc/35/17/79/335351779.db2.gz SRLLEKXVJVEHOZ-UHFFFAOYSA-N -1 3 322.405 2.760 20 30 DFEDHM N#CC1(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)CC1 ZINC000347010871 335459524 /nfs/dbraw/zinc/45/95/24/335459524.db2.gz JEADGGMYJYJBBI-UHFFFAOYSA-N -1 3 323.381 2.917 20 30 DFEDHM CCc1ccc(S(=O)(=O)[N-][C@@](C)(C#N)CCSC)s1 ZINC000351161574 336018556 /nfs/dbraw/zinc/01/85/56/336018556.db2.gz GEPNRWHYTLEMFE-GFCCVEGCSA-N -1 3 318.489 2.624 20 30 DFEDHM O=C(NC1(c2ccc(F)cc2)CCOCC1)c1csc(=O)[n-]1 ZINC000329951795 336099245 /nfs/dbraw/zinc/09/92/45/336099245.db2.gz CSSVFOKCOSUYBI-UHFFFAOYSA-N -1 3 322.361 2.998 20 30 DFEDHM CC[C@@H]1OCCC[C@@H]1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000330277724 336132855 /nfs/dbraw/zinc/13/28/55/336132855.db2.gz OQQVUHQQKLLTNE-JQWIXIFHSA-N -1 3 301.350 2.660 20 30 DFEDHM CC[C@@H]1OCCC[C@@H]1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000330277724 336132857 /nfs/dbraw/zinc/13/28/57/336132857.db2.gz OQQVUHQQKLLTNE-JQWIXIFHSA-N -1 3 301.350 2.660 20 30 DFEDHM CC[C@@H]1OCCC[C@@H]1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000330277724 336132859 /nfs/dbraw/zinc/13/28/59/336132859.db2.gz OQQVUHQQKLLTNE-JQWIXIFHSA-N -1 3 301.350 2.660 20 30 DFEDHM Cc1csc([C@@H](C)[N-]S(=O)(=O)CC2(C#N)CCCC2)n1 ZINC000352938400 336378449 /nfs/dbraw/zinc/37/84/49/336378449.db2.gz KQLYVEYTVRRXOQ-LLVKDONJSA-N -1 3 313.448 2.516 20 30 DFEDHM O=C(NCC#Cc1cccc(F)c1)c1cc([O-])ccc1Cl ZINC000353163722 336405278 /nfs/dbraw/zinc/40/52/78/336405278.db2.gz DLNJFYFIRAHRDX-UHFFFAOYSA-N -1 3 303.720 2.966 20 30 DFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000358220089 336617614 /nfs/dbraw/zinc/61/76/14/336617614.db2.gz YOLCWYKXQGSUFD-NSHDSACASA-N -1 3 310.350 2.851 20 30 DFEDHM Cc1cc(Cl)cc(CN2CCN(C3CC3)[C@@H](C#N)C2)c1[O-] ZINC000376486190 337034661 /nfs/dbraw/zinc/03/46/61/337034661.db2.gz SYXFQBJYZGCJOH-HNNXBMFYSA-N -1 3 305.809 2.526 20 30 DFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csc(=O)[n-]1 ZINC000376748705 337040339 /nfs/dbraw/zinc/04/03/39/337040339.db2.gz CCSRBKMNPQBZMW-TZMCWYRMSA-N -1 3 313.382 2.761 20 30 DFEDHM N#CC(=C([O-])c1ccc2c(c1)OCO2)c1cnc2ccccc2n1 ZINC000190926272 337291481 /nfs/dbraw/zinc/29/14/81/337291481.db2.gz LNJFSBLFICTKBN-GFCCVEGCSA-N -1 3 317.304 2.849 20 30 DFEDHM C=CCN(CCOC)C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000191790256 337300182 /nfs/dbraw/zinc/30/01/82/337300182.db2.gz PBAUDEVGDCGIIB-UHFFFAOYSA-N -1 3 314.385 2.832 20 30 DFEDHM C=CCn1c(SCCCN(C)c2ccccc2)n[n-]c1=O ZINC000516288499 338009882 /nfs/dbraw/zinc/00/98/82/338009882.db2.gz IBSYTVDXYFZFJP-UHFFFAOYSA-N -1 3 304.419 2.788 20 30 DFEDHM C=CCOc1cccc(NC(=O)c2c[n-]c(C(=O)OC)c2)c1 ZINC000432876411 338171644 /nfs/dbraw/zinc/17/16/44/338171644.db2.gz JACTWYHEPGFZAW-UHFFFAOYSA-N -1 3 300.314 2.618 20 30 DFEDHM CCCCOc1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)c([O-])c1 ZINC000436991759 338296940 /nfs/dbraw/zinc/29/69/40/338296940.db2.gz ZNSMVVUKFGJNHZ-DOMZBBRYSA-N -1 3 302.374 2.993 20 30 DFEDHM COc1cc(C(=O)N[C@H](C#N)c2ccccc2F)ccc1[O-] ZINC000442656406 338426872 /nfs/dbraw/zinc/42/68/72/338426872.db2.gz UCUCGZFBZORFTI-CYBMUJFWSA-N -1 3 300.289 2.535 20 30 DFEDHM N#CCC1(C[N-]S(=O)(=O)c2ccc3ccccc3c2F)CC1 ZINC000451504767 338736909 /nfs/dbraw/zinc/73/69/09/338736909.db2.gz SJXWQSIZOBQATL-UHFFFAOYSA-N -1 3 318.373 2.951 20 30 DFEDHM C#C[C@H](NC(=O)/C=C\c1cncc([O-])c1)c1ccc(Cl)cc1 ZINC000491486166 339863922 /nfs/dbraw/zinc/86/39/22/339863922.db2.gz UPCZNAWRMITIJY-XOYTVWKISA-N -1 3 312.756 2.945 20 30 DFEDHM C=CCO[N-]C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000496369116 340004076 /nfs/dbraw/zinc/00/40/76/340004076.db2.gz NTFBSACVUYGZMJ-CQSZACIVSA-N -1 3 320.389 2.876 20 30 DFEDHM Cc1cc(=O)[n-]c(N=NC(C)CCCNC(=O)OC(C)(C)C)n1 ZINC000496561974 340007884 /nfs/dbraw/zinc/00/78/84/340007884.db2.gz AOEVREXCBYNYNG-UHFFFAOYSA-N -1 3 323.397 2.583 20 30 DFEDHM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000496766984 340012417 /nfs/dbraw/zinc/01/24/17/340012417.db2.gz ORSRCLADMFENIC-OLZOCXBDSA-N -1 3 324.421 2.646 20 30 DFEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000496774458 340012656 /nfs/dbraw/zinc/01/26/56/340012656.db2.gz RRTZACSORGLZMJ-OLZOCXBDSA-N -1 3 312.410 2.646 20 30 DFEDHM C=CCOc1ccccc1CNC(=O)c1ccc(OC)cc1[O-] ZINC000303433792 340325406 /nfs/dbraw/zinc/32/54/06/340325406.db2.gz AKADGZJUJIKHJY-UHFFFAOYSA-N -1 3 313.353 2.896 20 30 DFEDHM Cc1nnc(-c2ccc(C([O-])=C(C#N)c3ccccn3)cc2)o1 ZINC000544556095 341085545 /nfs/dbraw/zinc/08/55/45/341085545.db2.gz NKEKHUCIVFPODB-CQSZACIVSA-N -1 3 304.309 2.930 20 30 DFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000078868609 341248656 /nfs/dbraw/zinc/24/86/56/341248656.db2.gz JSGNEOIAKGMXAF-JTQLQIEISA-N -1 3 323.312 2.992 20 30 DFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000078868609 341248657 /nfs/dbraw/zinc/24/86/57/341248657.db2.gz JSGNEOIAKGMXAF-JTQLQIEISA-N -1 3 323.312 2.992 20 30 DFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000078868609 341248658 /nfs/dbraw/zinc/24/86/58/341248658.db2.gz JSGNEOIAKGMXAF-JTQLQIEISA-N -1 3 323.312 2.992 20 30 DFEDHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC(CC#N)CC3)c(=O)c2c1 ZINC000548516302 341265288 /nfs/dbraw/zinc/26/52/88/341265288.db2.gz DIWLGBMWORPCDK-UHFFFAOYSA-N -1 3 323.396 2.911 20 30 DFEDHM C=C(C)C[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551509636 341343233 /nfs/dbraw/zinc/34/32/33/341343233.db2.gz TVTFAFJJWYXMAD-UHFFFAOYSA-N -1 3 324.627 2.957 20 30 DFEDHM Cc1cccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c1F ZINC000314828413 534748883 /nfs/dbraw/zinc/74/88/83/534748883.db2.gz FJJNIAQTIFZFHJ-UHFFFAOYSA-N -1 3 305.334 2.510 20 30 DFEDHM CC(C)(C)n1cc(C#N)c([N-]C(=O)c2csc(Cl)n2)n1 ZINC000297588813 526909617 /nfs/dbraw/zinc/90/96/17/526909617.db2.gz FHNACSAFKOEMGX-UHFFFAOYSA-N -1 3 309.782 2.872 20 30 DFEDHM Cc1[nH]c(-c2ccccc2)nc1C([O-])=C(C#N)c1ccncn1 ZINC000680617233 545519756 /nfs/dbraw/zinc/51/97/56/545519756.db2.gz JTAVLOHSZJRHHP-CYBMUJFWSA-N -1 3 303.325 2.665 20 30 DFEDHM N#Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1-c1nnn[n-]1 ZINC000737719375 598921070 /nfs/dbraw/zinc/92/10/70/598921070.db2.gz PMVWHEHIJZDMET-UHFFFAOYSA-N -1 3 324.731 2.644 20 30 DFEDHM N#Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC000737719375 598921071 /nfs/dbraw/zinc/92/10/71/598921071.db2.gz PMVWHEHIJZDMET-UHFFFAOYSA-N -1 3 324.731 2.644 20 30 DFEDHM Cc1ccc2c(c1)C(=NNCc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000822274658 607253875 /nfs/dbraw/zinc/25/38/75/607253875.db2.gz DUUQQPSJKCGBGV-UHFFFAOYSA-N -1 3 318.384 2.615 20 30 DFEDHM Cc1ccc2c(c1)C(=NNCc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000822274658 607253876 /nfs/dbraw/zinc/25/38/76/607253876.db2.gz DUUQQPSJKCGBGV-UHFFFAOYSA-N -1 3 318.384 2.615 20 30 DFEDHM Cc1cc(C)c(C=NNCc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000822194278 607254473 /nfs/dbraw/zinc/25/44/73/607254473.db2.gz QCLNZKSXEICZDK-UHFFFAOYSA-N -1 3 320.400 2.916 20 30 DFEDHM Cc1cc(C)c(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000822194278 607254474 /nfs/dbraw/zinc/25/44/74/607254474.db2.gz QCLNZKSXEICZDK-UHFFFAOYSA-N -1 3 320.400 2.916 20 30 DFEDHM Fc1cc(F)c(NN=Cc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000737645436 598977979 /nfs/dbraw/zinc/97/79/79/598977979.db2.gz YGHZDYKGQSDUMR-UHFFFAOYSA-N -1 3 318.262 2.730 20 30 DFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCC1CC1 ZINC000735420767 598998648 /nfs/dbraw/zinc/99/86/48/598998648.db2.gz TWTDBNBFFRPXEM-UHFFFAOYSA-N -1 3 311.389 2.572 20 30 DFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCC1CC1 ZINC000735420767 598998650 /nfs/dbraw/zinc/99/86/50/598998650.db2.gz TWTDBNBFFRPXEM-UHFFFAOYSA-N -1 3 311.389 2.572 20 30 DFEDHM Cc1c(NCc2ccc(F)c(C#N)c2)cccc1-c1nnn[n-]1 ZINC000822123235 607257103 /nfs/dbraw/zinc/25/71/03/607257103.db2.gz XBVTWEGIOJFNFG-UHFFFAOYSA-N -1 3 308.320 2.798 20 30 DFEDHM Cc1c(NCc2ccc(F)c(C#N)c2)cccc1-c1nn[n-]n1 ZINC000822123235 607257104 /nfs/dbraw/zinc/25/71/04/607257104.db2.gz XBVTWEGIOJFNFG-UHFFFAOYSA-N -1 3 308.320 2.798 20 30 DFEDHM COCc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737016848 599150219 /nfs/dbraw/zinc/15/02/19/599150219.db2.gz HEVRJKYFMMUMTM-IZZDOVSWSA-N -1 3 320.352 2.909 20 30 DFEDHM COCc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737016848 599150220 /nfs/dbraw/zinc/15/02/20/599150220.db2.gz HEVRJKYFMMUMTM-IZZDOVSWSA-N -1 3 320.352 2.909 20 30 DFEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1cccs1 ZINC000735558865 599192576 /nfs/dbraw/zinc/19/25/76/599192576.db2.gz GORKLNJMMFODOQ-VIFPVBQESA-N -1 3 324.369 2.542 20 30 DFEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1cccs1 ZINC000735558865 599192578 /nfs/dbraw/zinc/19/25/78/599192578.db2.gz GORKLNJMMFODOQ-VIFPVBQESA-N -1 3 324.369 2.542 20 30 DFEDHM C[C@H]1CCC[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC000736245642 599196977 /nfs/dbraw/zinc/19/69/77/599196977.db2.gz TYNBPQFFPVEQIE-QWRGUYRKSA-N -1 3 310.361 2.503 20 30 DFEDHM C[C@H]1CCC[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC000736245642 599196978 /nfs/dbraw/zinc/19/69/78/599196978.db2.gz TYNBPQFFPVEQIE-QWRGUYRKSA-N -1 3 310.361 2.503 20 30 DFEDHM C[C@H]1CCC[C@@H](CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1 ZINC000736248551 599198978 /nfs/dbraw/zinc/19/89/78/599198978.db2.gz JCXDQIPBQJWCDN-NWDGAFQWSA-N -1 3 324.388 2.893 20 30 DFEDHM C[C@H]1CCC[C@@H](CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1 ZINC000736248551 599198980 /nfs/dbraw/zinc/19/89/80/599198980.db2.gz JCXDQIPBQJWCDN-NWDGAFQWSA-N -1 3 324.388 2.893 20 30 DFEDHM C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736262489 599199098 /nfs/dbraw/zinc/19/90/98/599199098.db2.gz NADUJWCJEDFEMS-RYUDHWBXSA-N -1 3 324.388 2.893 20 30 DFEDHM C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736262489 599199100 /nfs/dbraw/zinc/19/91/00/599199100.db2.gz NADUJWCJEDFEMS-RYUDHWBXSA-N -1 3 324.388 2.893 20 30 DFEDHM CCc1ccccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000821492515 607315941 /nfs/dbraw/zinc/31/59/41/607315941.db2.gz PANVQLKCGYFZTQ-UHFFFAOYSA-N -1 3 318.340 2.553 20 30 DFEDHM CCc1ccccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000821492515 607315942 /nfs/dbraw/zinc/31/59/42/607315942.db2.gz PANVQLKCGYFZTQ-UHFFFAOYSA-N -1 3 318.340 2.553 20 30 DFEDHM CCCN(Cc1ccc(C#N)cc1)c1ncccc1-c1nnn[n-]1 ZINC000821109502 607305473 /nfs/dbraw/zinc/30/54/73/607305473.db2.gz KXXBCMJHMZIPJD-UHFFFAOYSA-N -1 3 319.372 2.550 20 30 DFEDHM CCCN(Cc1ccc(C#N)cc1)c1ncccc1-c1nn[n-]n1 ZINC000821109502 607305474 /nfs/dbraw/zinc/30/54/74/607305474.db2.gz KXXBCMJHMZIPJD-UHFFFAOYSA-N -1 3 319.372 2.550 20 30 DFEDHM C[C@H](Sc1ccc(-c2nnn[n-]2)cn1)c1ccc(C#N)cc1 ZINC000736193700 599289198 /nfs/dbraw/zinc/28/91/98/599289198.db2.gz RVSLXUBTDDRVBY-JTQLQIEISA-N -1 3 308.370 2.987 20 30 DFEDHM C[C@H](Sc1ccc(-c2nn[n-]n2)cn1)c1ccc(C#N)cc1 ZINC000736193700 599289200 /nfs/dbraw/zinc/28/92/00/599289200.db2.gz RVSLXUBTDDRVBY-JTQLQIEISA-N -1 3 308.370 2.987 20 30 DFEDHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cn1)c1ccc(C#N)cc1 ZINC000736193701 599289228 /nfs/dbraw/zinc/28/92/28/599289228.db2.gz RVSLXUBTDDRVBY-SNVBAGLBSA-N -1 3 308.370 2.987 20 30 DFEDHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cn1)c1ccc(C#N)cc1 ZINC000736193701 599289231 /nfs/dbraw/zinc/28/92/31/599289231.db2.gz RVSLXUBTDDRVBY-SNVBAGLBSA-N -1 3 308.370 2.987 20 30 DFEDHM C=CCC[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)C1CC1 ZINC000823893915 607779749 /nfs/dbraw/zinc/77/97/49/607779749.db2.gz BDJDCJAJGFAIMI-LLVKDONJSA-N -1 3 304.375 2.830 20 30 DFEDHM C=CCC[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)C1CC1 ZINC000823893915 607779750 /nfs/dbraw/zinc/77/97/50/607779750.db2.gz BDJDCJAJGFAIMI-LLVKDONJSA-N -1 3 304.375 2.830 20 30 DFEDHM COc1cccc(NN=C(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737140645 598275491 /nfs/dbraw/zinc/27/54/91/598275491.db2.gz HJMCWEVNOMKLQI-UHFFFAOYSA-N -1 3 308.345 2.711 20 30 DFEDHM COc1cccc(NN=C(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737140645 598275492 /nfs/dbraw/zinc/27/54/92/598275492.db2.gz HJMCWEVNOMKLQI-UHFFFAOYSA-N -1 3 308.345 2.711 20 30 DFEDHM N#Cc1c(F)cccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737705271 598310899 /nfs/dbraw/zinc/31/08/99/598310899.db2.gz NDBNQZSHEHXBNR-UHFFFAOYSA-N -1 3 312.283 2.629 20 30 DFEDHM N#Cc1c(F)cccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737705271 598310900 /nfs/dbraw/zinc/31/09/00/598310900.db2.gz NDBNQZSHEHXBNR-UHFFFAOYSA-N -1 3 312.283 2.629 20 30 DFEDHM N#Cc1ccc(CNc2cccc(F)c2-c2nnn[n-]2)c(F)c1 ZINC000737718170 598310902 /nfs/dbraw/zinc/31/09/02/598310902.db2.gz KQVMMFKJAHHGCB-UHFFFAOYSA-N -1 3 312.283 2.629 20 30 DFEDHM N#Cc1ccc(CNc2cccc(F)c2-c2nn[n-]n2)c(F)c1 ZINC000737718170 598310903 /nfs/dbraw/zinc/31/09/03/598310903.db2.gz KQVMMFKJAHHGCB-UHFFFAOYSA-N -1 3 312.283 2.629 20 30 DFEDHM C=CCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000735408601 598327083 /nfs/dbraw/zinc/32/70/83/598327083.db2.gz PLLZVZZVBJROIL-UHFFFAOYSA-N -1 3 301.350 2.559 20 30 DFEDHM C=CCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000735408601 598327085 /nfs/dbraw/zinc/32/70/85/598327085.db2.gz PLLZVZZVBJROIL-UHFFFAOYSA-N -1 3 301.350 2.559 20 30 DFEDHM O=C1c2cc(F)ccc2OCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738291174 598585596 /nfs/dbraw/zinc/58/55/96/598585596.db2.gz UAUVCCYXTUATLG-GHXNOFRVSA-N -1 3 322.299 2.665 20 30 DFEDHM O=C1c2cc(F)ccc2OCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738291174 598585598 /nfs/dbraw/zinc/58/55/98/598585598.db2.gz UAUVCCYXTUATLG-GHXNOFRVSA-N -1 3 322.299 2.665 20 30 DFEDHM Cc1ccccc1C=NOCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737420287 598674677 /nfs/dbraw/zinc/67/46/77/598674677.db2.gz FSHSIZPBOISMPR-UHFFFAOYSA-N -1 3 311.320 2.865 20 30 DFEDHM Cc1ccccc1C=NOCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737420287 598674680 /nfs/dbraw/zinc/67/46/80/598674680.db2.gz FSHSIZPBOISMPR-UHFFFAOYSA-N -1 3 311.320 2.865 20 30 DFEDHM Cc1cccc2c1CC(=Cc1ccc(-c3nnn[n-]3)cc1)C2=O ZINC000737408061 598787569 /nfs/dbraw/zinc/78/75/69/598787569.db2.gz DVWPHPLJGDDNGG-ZROIWOOFSA-N -1 3 302.337 2.998 20 30 DFEDHM Cc1cccc2c1CC(=Cc1ccc(-c3nn[n-]n3)cc1)C2=O ZINC000737408061 598787570 /nfs/dbraw/zinc/78/75/70/598787570.db2.gz DVWPHPLJGDDNGG-ZROIWOOFSA-N -1 3 302.337 2.998 20 30 DFEDHM Cc1ccc(C#N)cc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737305924 599329563 /nfs/dbraw/zinc/32/95/63/599329563.db2.gz KQKITLWISHJPLY-UHFFFAOYSA-N -1 3 320.356 2.538 20 30 DFEDHM Cc1ccc(C#N)cc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737305924 599329566 /nfs/dbraw/zinc/32/95/66/599329566.db2.gz KQKITLWISHJPLY-UHFFFAOYSA-N -1 3 320.356 2.538 20 30 DFEDHM COc1cccc(C=N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1O ZINC000821862515 599400268 /nfs/dbraw/zinc/40/02/68/599400268.db2.gz COQBGJANWNUROR-VDCVXVNISA-N -1 3 323.356 2.761 20 30 DFEDHM COc1cccc(C=N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1O ZINC000821862515 599400269 /nfs/dbraw/zinc/40/02/69/599400269.db2.gz COQBGJANWNUROR-VDCVXVNISA-N -1 3 323.356 2.761 20 30 DFEDHM COc1ccc(O)c(C=N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821839626 599400288 /nfs/dbraw/zinc/40/02/88/599400288.db2.gz WLNSWVKTQRSNDO-TZQXVGBESA-N -1 3 323.356 2.761 20 30 DFEDHM COc1ccc(O)c(C=N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821839626 599400289 /nfs/dbraw/zinc/40/02/89/599400289.db2.gz WLNSWVKTQRSNDO-TZQXVGBESA-N -1 3 323.356 2.761 20 30 DFEDHM C=CCOC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735437010 599606530 /nfs/dbraw/zinc/60/65/30/599606530.db2.gz CHJJFMPJTVCFQL-UHFFFAOYSA-N -1 3 321.340 2.953 20 30 DFEDHM COc1ccccc1CN(C)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738132908 600563064 /nfs/dbraw/zinc/56/30/64/600563064.db2.gz IWBKLHQMEDBDNV-QGZVFWFLSA-N -1 3 310.353 2.825 20 30 DFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cccs1 ZINC000822922628 607455363 /nfs/dbraw/zinc/45/53/63/607455363.db2.gz IGWFDQVHOQDDSF-AATRIKPKSA-N -1 3 300.318 2.963 20 30 DFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cccs1 ZINC000822922628 607455364 /nfs/dbraw/zinc/45/53/64/607455364.db2.gz IGWFDQVHOQDDSF-AATRIKPKSA-N -1 3 300.318 2.963 20 30 DFEDHM C=C(C)CN1CCC(NC(=O)c2ccccc2NC(=O)[O-])CC1 ZINC000736094653 600588438 /nfs/dbraw/zinc/58/84/38/600588438.db2.gz QHRVUZOYYQODKM-UHFFFAOYSA-N -1 3 317.389 2.547 20 30 DFEDHM CCn1ncc2c1CCC[C@@H]2N[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737312944 601102252 /nfs/dbraw/zinc/10/22/52/601102252.db2.gz WQZUJKAXOCRUDP-RDJZCZTQSA-N -1 3 324.384 2.568 20 30 DFEDHM N#CC(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1nc2ccccc2[nH]1 ZINC000833063318 601235769 /nfs/dbraw/zinc/23/57/69/601235769.db2.gz HXZBVGSTKRSRKX-IJLUTSLNSA-N -1 3 311.341 2.630 20 30 DFEDHM COCc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000831817358 601300884 /nfs/dbraw/zinc/30/08/84/601300884.db2.gz KIGWYFWMQGJUGL-QGZVFWFLSA-N -1 3 310.353 2.620 20 30 DFEDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(C#N)c1 ZINC000827716881 601306633 /nfs/dbraw/zinc/30/66/33/601306633.db2.gz BSLNMTLPMDIVJZ-PXAZEXFGSA-N -1 3 305.337 2.906 20 30 DFEDHM CN(Cc1cccc(C#N)c1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830844563 601311241 /nfs/dbraw/zinc/31/12/41/601311241.db2.gz DOFJNISLQYZVKH-QGZVFWFLSA-N -1 3 305.337 2.688 20 30 DFEDHM N#CC(C(=O)C[C@H](Cc1ccccc1)NC(=O)[O-])c1ccccn1 ZINC000831066365 604219946 /nfs/dbraw/zinc/21/99/46/604219946.db2.gz WHKIYIQCIFKYEK-GJZGRUSLSA-N -1 3 323.352 2.527 20 30 DFEDHM CCc1cnccc1[C@@H](C)N[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833672402 605270150 /nfs/dbraw/zinc/27/01/50/605270150.db2.gz CGRPKRKJRXYKRT-PXAZEXFGSA-N -1 3 309.369 2.992 20 30 DFEDHM Fc1cccc(F)c1N=NCc1cc(-c2nnn[n-]2)cs1 ZINC000822792412 606206302 /nfs/dbraw/zinc/20/63/02/606206302.db2.gz VMXIOLNEIAXYDS-UHFFFAOYSA-N -1 3 306.301 2.652 20 30 DFEDHM Fc1cccc(F)c1N=NCc1cc(-c2nn[n-]n2)cs1 ZINC000822792412 606206303 /nfs/dbraw/zinc/20/63/03/606206303.db2.gz VMXIOLNEIAXYDS-UHFFFAOYSA-N -1 3 306.301 2.652 20 30 DFEDHM C=CCCCC(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OC ZINC000819739969 606334958 /nfs/dbraw/zinc/33/49/58/606334958.db2.gz MBNMAYWHHLEYAV-UHFFFAOYSA-N -1 3 322.752 2.790 20 30 DFEDHM C=CCCCC(=O)Oc1c(Cl)cc(-c2nn[n-]n2)cc1OC ZINC000819739969 606334960 /nfs/dbraw/zinc/33/49/60/606334960.db2.gz MBNMAYWHHLEYAV-UHFFFAOYSA-N -1 3 322.752 2.790 20 30 DFEDHM C[C@@H](OC(=O)C1(C#N)CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488873 606348931 /nfs/dbraw/zinc/34/89/31/606348931.db2.gz WBSGTJAFQMEYRT-LLVKDONJSA-N -1 3 311.345 2.555 20 30 DFEDHM C[C@@H](OC(=O)C1(C#N)CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488873 606348933 /nfs/dbraw/zinc/34/89/33/606348933.db2.gz WBSGTJAFQMEYRT-LLVKDONJSA-N -1 3 311.345 2.555 20 30 DFEDHM O=C1c2ccccc2OCCC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823503341 606391433 /nfs/dbraw/zinc/39/14/33/606391433.db2.gz DAPKEMSFIOBFDV-MDZDMXLPSA-N -1 3 324.365 2.977 20 30 DFEDHM N#CC1CCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC000822806686 606926240 /nfs/dbraw/zinc/92/62/40/606926240.db2.gz RDQSUUHAFTWYSG-UHFFFAOYSA-N -1 3 322.294 2.625 20 30 DFEDHM N#CC1CCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000822806686 606926241 /nfs/dbraw/zinc/92/62/41/606926241.db2.gz RDQSUUHAFTWYSG-UHFFFAOYSA-N -1 3 322.294 2.625 20 30 DFEDHM C=CCC(CC=C)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000819734801 607004164 /nfs/dbraw/zinc/00/41/64/607004164.db2.gz UHRJHMRLBKQWOM-UHFFFAOYSA-N -1 3 316.336 2.817 20 30 DFEDHM C=CCC(CC=C)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000819734801 607004167 /nfs/dbraw/zinc/00/41/67/607004167.db2.gz UHRJHMRLBKQWOM-UHFFFAOYSA-N 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/nfs/dbraw/zinc/13/89/83/607138983.db2.gz WRPWFGUNJZEOES-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM N#Cc1ccc(OCc2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000822833830 607138985 /nfs/dbraw/zinc/13/89/85/607138985.db2.gz WRPWFGUNJZEOES-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM N#Cc1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)c(F)c1 ZINC000822833371 607139079 /nfs/dbraw/zinc/13/90/79/607139079.db2.gz OZFKLEWSSXFYTG-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM N#Cc1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)c(F)c1 ZINC000822833371 607139080 /nfs/dbraw/zinc/13/90/80/607139080.db2.gz OZFKLEWSSXFYTG-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM N#Cc1ccc(F)cc1COc1ccc(-c2nnn[n-]2)cc1F ZINC000822829648 607139920 /nfs/dbraw/zinc/13/99/20/607139920.db2.gz BRHACOSWBDYVTE-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM N#Cc1ccc(F)cc1COc1ccc(-c2nn[n-]n2)cc1F ZINC000822829648 607139921 /nfs/dbraw/zinc/13/99/21/607139921.db2.gz BRHACOSWBDYVTE-UHFFFAOYSA-N -1 3 313.267 2.596 20 30 DFEDHM CCCCCCCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 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