smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCOc1ccc(CN2CCC(O)(C3(C(=O)[O-])CCC3)CC2)cc1 ZINC001588497462 983538990 /nfs/dbraw/zinc/53/89/90/983538990.db2.gz ICXFSXZUXLTWOZ-UHFFFAOYSA-N -1 3 343.423 2.280 20 30 EEEDHM C=CCCCN1Cc2ccc(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])cc2C1 ZINC001588801304 984245110 /nfs/dbraw/zinc/24/51/10/984245110.db2.gz HGCAVUNEGLRSMP-SJORKVTESA-N -1 3 328.412 2.305 20 30 EEEDHM CC(C)C[C@@H](C(=O)[O-])N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC001591122910 991797575 /nfs/dbraw/zinc/79/75/75/991797575.db2.gz BSSBEBBVIIXSLN-AWEZNQCLSA-N -1 3 332.404 2.045 20 30 EEEDHM Cc1cc2c(cc1C#N)[nH]nc2NC(=O)CCc1c(C)nc[n-]c1=O ZINC001472593556 1110560179 /nfs/dbraw/zinc/56/01/79/1110560179.db2.gz COGVECBBANNODP-UHFFFAOYSA-N -1 3 336.355 2.118 20 30 EEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(C)Cc1scnc1C ZINC001520404215 1119157030 /nfs/dbraw/zinc/15/70/30/1119157030.db2.gz OTKAJBQJSCAXFC-UHFFFAOYSA-N -1 3 332.389 2.226 20 30 EEEDHM C=C(C)CS(=O)(=O)[N-][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000189677925 201047842 /nfs/dbraw/zinc/04/78/42/201047842.db2.gz RPAFPOFCKPGIAA-NSHDSACASA-N -1 3 337.401 2.302 20 30 EEEDHM CCC1([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCOCC1 ZINC000330754632 201081951 /nfs/dbraw/zinc/08/19/51/201081951.db2.gz FKTBTJJFPCWRBF-UHFFFAOYSA-N -1 3 328.821 2.449 20 30 EEEDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)s1 ZINC000122269629 292271648 /nfs/dbraw/zinc/27/16/48/292271648.db2.gz INCLEARKYWKOCT-UHFFFAOYSA-N -1 3 325.390 2.249 20 30 EEEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@@H]23)c1 ZINC000249942191 160387033 /nfs/dbraw/zinc/38/70/33/160387033.db2.gz TWJIBHQPIINVMW-CYZMBNFOSA-N -1 3 326.805 2.057 20 30 EEEDHM N#Cc1cccc(CS(=O)(=O)[N-][C@@H]2COc3ccc(F)cc32)c1 ZINC000341650386 161003117 /nfs/dbraw/zinc/00/31/17/161003117.db2.gz LBORYRATCWTKNG-OAHLLOKOSA-N -1 3 332.356 2.250 20 30 EEEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@H]1COc2ccccc21 ZINC000341965865 161027755 /nfs/dbraw/zinc/02/77/55/161027755.db2.gz HCOWCMJYMNNOFW-LBPRGKRZSA-N -1 3 332.356 2.152 20 30 EEEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)C2CCCC2)c(Cl)c1 ZINC000352585531 162200846 /nfs/dbraw/zinc/20/08/46/162200846.db2.gz GATXLIHBBJBNDJ-ZDUSSCGKSA-N -1 3 328.821 2.041 20 30 EEEDHM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)OC ZINC000355566793 163232444 /nfs/dbraw/zinc/23/24/44/163232444.db2.gz XRNRJJYZPNOTRY-RNCFNFMXSA-N -1 3 344.820 2.078 20 30 EEEDHM CN(C(=O)CCn1[n-]c(=O)c2ccccc2c1=O)c1ccc(C#N)cc1 ZINC000359756682 164166110 /nfs/dbraw/zinc/16/61/10/164166110.db2.gz AZMDTSYDBLIPFH-UHFFFAOYSA-N -1 3 348.362 2.027 20 30 EEEDHM Cc1cccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1 ZINC000359801038 164175072 /nfs/dbraw/zinc/17/50/72/164175072.db2.gz NWIGMOSAXMRHNK-UHFFFAOYSA-N -1 3 335.816 2.436 20 30 EEEDHM N#Cc1ccc(CN2CCCN(C(=O)c3csc(=O)[n-]3)CC2)cc1 ZINC000364180633 165042421 /nfs/dbraw/zinc/04/24/21/165042421.db2.gz MQXWMSSCYIHTNM-UHFFFAOYSA-N -1 3 342.424 2.068 20 30 EEEDHM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C1CC1 ZINC000451995345 269761097 /nfs/dbraw/zinc/76/10/97/269761097.db2.gz QYVBORSJEMWYDD-LKFCYVNXSA-N -1 3 328.821 2.303 20 30 EEEDHM CS[C@@H](C)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000287860235 269807993 /nfs/dbraw/zinc/80/79/93/269807993.db2.gz PIPAASZBEDSTSM-QMMMGPOBSA-N -1 3 349.275 2.351 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000437464275 270020306 /nfs/dbraw/zinc/02/03/06/270020306.db2.gz BRTSZFUTKVQTTM-KBXCAEBGSA-N -1 3 343.427 2.306 20 30 EEEDHM N#Cc1csc(CNC2CCN(C(=O)c3ccccc3[O-])CC2)n1 ZINC000436919194 270020427 /nfs/dbraw/zinc/02/04/27/270020427.db2.gz KEYREPKHTQPUJT-UHFFFAOYSA-N -1 3 342.424 2.115 20 30 EEEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1F ZINC000416587479 268167323 /nfs/dbraw/zinc/16/73/23/268167323.db2.gz HPYPGQJWWBHURE-GHMZBOCLSA-N -1 3 327.337 2.025 20 30 EEEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCOCC2CC2)c(Cl)c1 ZINC000183429899 268200554 /nfs/dbraw/zinc/20/05/54/268200554.db2.gz IRTKTFYGNCOWSK-UHFFFAOYSA-N -1 3 328.821 2.307 20 30 EEEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)C2CCC2)c(C(F)(F)F)c1 ZINC000452042754 268255751 /nfs/dbraw/zinc/25/57/51/268255751.db2.gz FPHMJPQQBRHMBA-GFCCVEGCSA-N -1 3 348.346 2.016 20 30 EEEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CCCO)c2ccccc2)s1 ZINC000435435664 268258123 /nfs/dbraw/zinc/25/81/23/268258123.db2.gz BOMNOJWVKYLYEX-AWEZNQCLSA-N -1 3 336.438 2.412 20 30 EEEDHM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F)C1CC1 ZINC000566667365 319310383 /nfs/dbraw/zinc/31/03/83/319310383.db2.gz UEZRRNCHTOVTAD-BONVTDFDSA-N -1 3 326.393 2.179 20 30 EEEDHM COc1cc(C#N)ccc1OCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000575156217 320092059 /nfs/dbraw/zinc/09/20/59/320092059.db2.gz KKYJVVBPXJQNCC-UHFFFAOYSA-N -1 3 340.335 2.493 20 30 EEEDHM N#CC(=C([O-])c1ccc2oc(=O)[nH]c2c1)c1nnc2n1CCCCC2 ZINC000347759568 465210319 /nfs/dbraw/zinc/21/03/19/465210319.db2.gz LYZSCAYWGMBURS-NSHDSACASA-N -1 3 337.339 2.341 20 30 EEEDHM COC(=O)c1cnc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)cn1 ZINC000355301016 465240084 /nfs/dbraw/zinc/24/00/84/465240084.db2.gz NKGMPCPLBKSFPD-UHFFFAOYSA-N -1 3 342.380 2.327 20 30 EEEDHM C=CCCS(=O)(=O)[N-][C@H](Cc1ccccc1Cl)C(=O)OCC ZINC000351596504 465243371 /nfs/dbraw/zinc/24/33/71/465243371.db2.gz ITYLQUKRDSGXRK-CQSZACIVSA-N -1 3 345.848 2.310 20 30 EEEDHM C#CCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000491040390 468289397 /nfs/dbraw/zinc/28/93/97/468289397.db2.gz TZSLXPOJMTWQOU-UHFFFAOYSA-N -1 3 339.576 2.307 20 30 EEEDHM C#CCNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000491040390 468289402 /nfs/dbraw/zinc/28/94/02/468289402.db2.gz TZSLXPOJMTWQOU-UHFFFAOYSA-N -1 3 339.576 2.307 20 30 EEEDHM Cc1ncc(CN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1 ZINC000046772767 462703418 /nfs/dbraw/zinc/70/34/18/462703418.db2.gz CTUYENPVMYFCIE-UHFFFAOYSA-N -1 3 344.440 2.220 20 30 EEEDHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000026238724 463155142 /nfs/dbraw/zinc/15/51/42/463155142.db2.gz MJZIDBPAQWSCFQ-UHFFFAOYSA-N -1 3 334.328 2.285 20 30 EEEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000053526194 463171097 /nfs/dbraw/zinc/17/10/97/463171097.db2.gz BFXJLEPCGZOMKD-CYBMUJFWSA-N -1 3 335.323 2.236 20 30 EEEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000053526194 463171102 /nfs/dbraw/zinc/17/11/02/463171102.db2.gz BFXJLEPCGZOMKD-CYBMUJFWSA-N -1 3 335.323 2.236 20 30 EEEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000053526194 463171105 /nfs/dbraw/zinc/17/11/05/463171105.db2.gz BFXJLEPCGZOMKD-CYBMUJFWSA-N -1 3 335.323 2.236 20 30 EEEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@H]1CCCO1 ZINC000157925010 463186443 /nfs/dbraw/zinc/18/64/43/463186443.db2.gz DDPIZPVTUZCEJX-CHWSQXEVSA-N -1 3 328.821 2.448 20 30 EEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000080947449 463371056 /nfs/dbraw/zinc/37/10/56/463371056.db2.gz VJYDASMVDWPUND-GHMZBOCLSA-N -1 3 333.457 2.148 20 30 EEEDHM N#CC1([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000160983153 463388166 /nfs/dbraw/zinc/38/81/66/463388166.db2.gz VSZMOWBOVDJPKW-UHFFFAOYSA-N -1 3 335.610 2.437 20 30 EEEDHM Cc1cc(C(C#N)=C([O-])c2cc(S(C)(=O)=O)ccc2C)nc(C)n1 ZINC000041574572 463494857 /nfs/dbraw/zinc/49/48/57/463494857.db2.gz LTPSZGGTKGZXGB-OAHLLOKOSA-N -1 3 343.408 2.295 20 30 EEEDHM C=CCCOCC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000163404685 463586451 /nfs/dbraw/zinc/58/64/51/463586451.db2.gz LXTCEVWSPHTNGJ-UHFFFAOYSA-N -1 3 328.390 2.083 20 30 EEEDHM N#CC1(CS(=O)(=O)[N-][C@@H](c2nccs2)c2ccccc2)CC1 ZINC000165197148 463641742 /nfs/dbraw/zinc/64/17/42/463641742.db2.gz GZFOSEMPQDSVGQ-CYBMUJFWSA-N -1 3 333.438 2.456 20 30 EEEDHM C#C[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000185327779 463801512 /nfs/dbraw/zinc/80/15/12/463801512.db2.gz YDIPJFADKSPMNL-JTQLQIEISA-N -1 3 342.848 2.168 20 30 EEEDHM Cc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000277083743 463868887 /nfs/dbraw/zinc/86/88/87/463868887.db2.gz UXMCMJQPJYOABO-ZDUSSCGKSA-N -1 3 331.397 2.008 20 30 EEEDHM CCCCCCCCOCCCNC(=O)C(=O)[N-]c1cnns1 ZINC000277586496 463922198 /nfs/dbraw/zinc/92/21/98/463922198.db2.gz ZUZDWHCFSFDYHQ-UHFFFAOYSA-N -1 3 342.465 2.360 20 30 EEEDHM N#CCCC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000287898274 464024482 /nfs/dbraw/zinc/02/44/82/464024482.db2.gz RZROWCCOXYKXGJ-UHFFFAOYSA-N -1 3 326.271 2.306 20 30 EEEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CO)CC1CCC1 ZINC000280211320 464192828 /nfs/dbraw/zinc/19/28/28/464192828.db2.gz KDUBESWTSMWEHH-ZDUSSCGKSA-N -1 3 328.821 2.041 20 30 EEEDHM C#CCN(CC#C)C(=O)/C=C/c1cc(Br)c([O-])c(OC)c1 ZINC000180103668 464243017 /nfs/dbraw/zinc/24/30/17/464243017.db2.gz XAVRVSZZBPRWMZ-VOTSOKGWSA-N -1 3 348.196 2.272 20 30 EEEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188326212 464254031 /nfs/dbraw/zinc/25/40/31/464254031.db2.gz XLRBXOVJLKCWRH-UHFFFAOYSA-N -1 3 348.406 2.340 20 30 EEEDHM C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@H]1CCCOC1 ZINC000356627414 465464347 /nfs/dbraw/zinc/46/43/47/465464347.db2.gz SRLOQRIDILYWMT-JQWIXIFHSA-N -1 3 328.821 2.305 20 30 EEEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000281419430 464448723 /nfs/dbraw/zinc/44/87/23/464448723.db2.gz FUHWIBVYXMSWDS-SNVBAGLBSA-N -1 3 342.373 2.014 20 30 EEEDHM C=CCCC[C@@H](C)NC(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000181383834 464482020 /nfs/dbraw/zinc/48/20/20/464482020.db2.gz UVIFYXYNAVAZPE-LLVKDONJSA-N -1 3 345.490 2.200 20 30 EEEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(CC#N)C2CC2)c1 ZINC000273304963 464711123 /nfs/dbraw/zinc/71/11/23/464711123.db2.gz LMTKWZFIOBSBLR-UHFFFAOYSA-N -1 3 340.339 2.069 20 30 EEEDHM COC(=O)[C@H]([N-]S(=O)(=O)CCCCC#N)c1cc(C)cc(C)c1 ZINC000274498663 464746705 /nfs/dbraw/zinc/74/67/05/464746705.db2.gz SDHUAXIPEXVPLT-OAHLLOKOSA-N -1 3 338.429 2.131 20 30 EEEDHM C=CCC(C)(C)C(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000295268201 464767264 /nfs/dbraw/zinc/76/72/64/464767264.db2.gz HKSBIWJUQBMNFE-UHFFFAOYSA-N -1 3 334.420 2.290 20 30 EEEDHM C=CCC(C)(C)C(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000295268201 464767268 /nfs/dbraw/zinc/76/72/68/464767268.db2.gz HKSBIWJUQBMNFE-UHFFFAOYSA-N -1 3 334.420 2.290 20 30 EEEDHM COc1ccccc1O[C@@H](C)C/N=C/c1c([O-])c(C)ncc1CO ZINC000266331476 464771359 /nfs/dbraw/zinc/77/13/59/464771359.db2.gz KMFDXIMDSSPLIG-NJDFMEINSA-N -1 3 330.384 2.483 20 30 EEEDHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCOC[C@@H]2[C@H]2CCCO2)c1 ZINC000329388992 465320050 /nfs/dbraw/zinc/32/00/50/465320050.db2.gz QUIDAEHXUQSJSY-GDBMZVCRSA-N -1 3 334.372 2.020 20 30 EEEDHM N#CCCSc1ccccc1[N-]C(=O)c1cn([C@H]2CCOC2)nn1 ZINC000359558656 465454831 /nfs/dbraw/zinc/45/48/31/465454831.db2.gz MTMKQYLTIXOUEF-LBPRGKRZSA-N -1 3 343.412 2.498 20 30 EEEDHM COc1ccc(C/N=C/c2c([O-])c(C)ncc2CO)cc1[N+](=O)[O-] ZINC000298775786 465501230 /nfs/dbraw/zinc/50/12/30/465501230.db2.gz KXOJZIXOLCHGDJ-CAOOACKPSA-N -1 3 331.328 2.124 20 30 EEEDHM C[C@H](C#N)S(=O)(=O)[N-][C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000352421666 465528249 /nfs/dbraw/zinc/52/82/49/465528249.db2.gz NELQSCQZZOWHMB-RKDXNWHRSA-N -1 3 340.792 2.282 20 30 EEEDHM C[C@@](O)(C[N-]S(=O)(=O)CC1(C#N)CCCC1)C1CCCCC1 ZINC000330161439 465554510 /nfs/dbraw/zinc/55/45/10/465554510.db2.gz RRQRBTLMLALTRP-OAHLLOKOSA-N -1 3 328.478 2.321 20 30 EEEDHM C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)C(=O)[N-]c1cc(C)no1 ZINC000352818345 465558968 /nfs/dbraw/zinc/55/89/68/465558968.db2.gz UOMCAOAYYVFIDA-CYBMUJFWSA-N -1 3 333.388 2.474 20 30 EEEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(F)ccc1OCCOC ZINC000353130267 465662642 /nfs/dbraw/zinc/66/26/42/465662642.db2.gz OLGONCMSPBJMPU-CYBMUJFWSA-N -1 3 331.409 2.484 20 30 EEEDHM Cn1c2ccccc2nc1C(C)(C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344666586 465764722 /nfs/dbraw/zinc/76/47/22/465764722.db2.gz BRNFAYJPQUQUPM-UHFFFAOYSA-N -1 3 344.396 2.252 20 30 EEEDHM Cc1ccc(C(=O)NCCC(=O)N2CCO[C@H](C(C)C)C2)c([O-])c1 ZINC000331239684 465995141 /nfs/dbraw/zinc/99/51/41/465995141.db2.gz NXXQJKZLYCECEV-INIZCTEOSA-N -1 3 334.416 2.279 20 30 EEEDHM C[C@H](C#N)C(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000357448173 466047152 /nfs/dbraw/zinc/04/71/52/466047152.db2.gz BQOYPPYMVWNRNG-SSDOTTSWSA-N -1 3 345.783 2.018 20 30 EEEDHM CCn1ccc(C[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)n1 ZINC000416575883 466742194 /nfs/dbraw/zinc/74/21/94/466742194.db2.gz CDLDGHZURAHOHA-UHFFFAOYSA-N -1 3 338.820 2.101 20 30 EEEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)c1csnn1 ZINC000416638745 466745552 /nfs/dbraw/zinc/74/55/52/466745552.db2.gz WPJYMZGMZWKFOK-MRVPVSSYSA-N -1 3 342.833 2.297 20 30 EEEDHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]CC1(C#N)CCC1 ZINC000416675385 466746054 /nfs/dbraw/zinc/74/60/54/466746054.db2.gz WVJTWQPWEIKPKK-UHFFFAOYSA-N -1 3 342.804 2.099 20 30 EEEDHM C#CCCCS(=O)(=O)[N-][C@@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000376277334 466903284 /nfs/dbraw/zinc/90/32/84/466903284.db2.gz YYPXABPMXPRSRS-CQSZACIVSA-N -1 3 348.428 2.162 20 30 EEEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000370982303 467062869 /nfs/dbraw/zinc/06/28/69/467062869.db2.gz LPOJSNCLDDOYGM-ZLKJLUDKSA-N -1 3 340.832 2.448 20 30 EEEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1ccc(C(=O)OC)c(F)c1 ZINC000432273266 467227240 /nfs/dbraw/zinc/22/72/40/467227240.db2.gz YUSPIVUAXUCGPC-UHFFFAOYSA-N -1 3 329.393 2.493 20 30 EEEDHM N#Cc1ccc(O[C@@H]2CCN(C(=O)Cc3ccc([O-])c(F)c3)C2)nc1 ZINC000452001064 467300164 /nfs/dbraw/zinc/30/01/64/467300164.db2.gz CIZITVZNXWGLPQ-CQSZACIVSA-N -1 3 341.342 2.020 20 30 EEEDHM Cc1c(C#N)cccc1NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000433332118 467319685 /nfs/dbraw/zinc/31/96/85/467319685.db2.gz SAQIPGDRZFTERQ-LJQANCHMSA-N -1 3 348.362 2.174 20 30 EEEDHM Cn1[n-]ccc1=NN=CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000497217201 467889212 /nfs/dbraw/zinc/88/92/12/467889212.db2.gz ZEVNDUWVGWIAKO-UHFFFAOYSA-N -1 3 341.415 2.289 20 30 EEEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C=NN2CCCNC2=O)s1 ZINC000495908838 468106997 /nfs/dbraw/zinc/10/69/97/468106997.db2.gz FSXCYGCJSFRUCP-UHFFFAOYSA-N -1 3 325.394 2.239 20 30 EEEDHM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000575135436 468137793 /nfs/dbraw/zinc/13/77/93/468137793.db2.gz 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/nfs/dbraw/zinc/25/38/26/607253826.db2.gz AEIJEIXHOHXPFJ-UHFFFAOYSA-N -1 3 334.383 2.452 20 30 EEEDHM N#Cc1ccc(OCCNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822833278 599049403 /nfs/dbraw/zinc/04/94/03/599049403.db2.gz NLAPFDUFOCPNRV-UHFFFAOYSA-N -1 3 341.762 2.278 20 30 EEEDHM N#Cc1ccc(OCCNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822833278 599049406 /nfs/dbraw/zinc/04/94/06/599049406.db2.gz NLAPFDUFOCPNRV-UHFFFAOYSA-N -1 3 341.762 2.278 20 30 EEEDHM N#Cc1cc(NCc2cc(-c3nnn[n-]3)ccc2F)c2ccccc2n1 ZINC000822823110 599070995 /nfs/dbraw/zinc/07/09/95/599070995.db2.gz LGAGUPIRPDLENJ-UHFFFAOYSA-N -1 3 345.341 2.460 20 30 EEEDHM N#Cc1cc(NCc2cc(-c3nn[n-]n3)ccc2F)c2ccccc2n1 ZINC000822823110 599070998 /nfs/dbraw/zinc/07/09/98/599070998.db2.gz LGAGUPIRPDLENJ-UHFFFAOYSA-N -1 3 345.341 2.460 20 30 EEEDHM C#CCOc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000819709534 607266623 /nfs/dbraw/zinc/26/66/23/607266623.db2.gz IGJWLEGGBYTJKQ-UHFFFAOYSA-N -1 3 333.351 2.439 20 30 EEEDHM C#CCOc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000819709534 607266624 /nfs/dbraw/zinc/26/66/24/607266624.db2.gz IGJWLEGGBYTJKQ-UHFFFAOYSA-N -1 3 333.351 2.439 20 30 EEEDHM CCOCCC1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CCC1 ZINC000821373296 607315790 /nfs/dbraw/zinc/31/57/90/607315790.db2.gz FHRRZOVOIMAWJA-UHFFFAOYSA-N -1 3 340.387 2.274 20 30 EEEDHM CCOCCC1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CCC1 ZINC000821373296 607315791 /nfs/dbraw/zinc/31/57/91/607315791.db2.gz FHRRZOVOIMAWJA-UHFFFAOYSA-N -1 3 340.387 2.274 20 30 EEEDHM N#Cc1ccc(F)c(CNCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822829968 607484579 /nfs/dbraw/zinc/48/45/79/607484579.db2.gz RIXZERLMWHQFSG-UHFFFAOYSA-N -1 3 326.310 2.306 20 30 EEEDHM N#Cc1ccc(F)c(CNCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822829968 607484581 /nfs/dbraw/zinc/48/45/81/607484581.db2.gz RIXZERLMWHQFSG-UHFFFAOYSA-N -1 3 326.310 2.306 20 30 EEEDHM COc1cc(OC)cc([C@H](NCc2ccc(C#N)cc2)C(=O)[O-])c1 ZINC000832057086 602167402 /nfs/dbraw/zinc/16/74/02/602167402.db2.gz LWAOZEJLRSCWMC-KRWDZBQOSA-N -1 3 326.352 2.491 20 30 EEEDHM N#CCCN(Cc1ccccn1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822811315 606022274 /nfs/dbraw/zinc/02/22/74/606022274.db2.gz VTDYJTYRGQHULG-UHFFFAOYSA-N -1 3 348.370 2.209 20 30 EEEDHM N#CCCN(Cc1ccccn1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822811315 606022278 /nfs/dbraw/zinc/02/22/78/606022278.db2.gz VTDYJTYRGQHULG-UHFFFAOYSA-N -1 3 348.370 2.209 20 30 EEEDHM C#CC[C@@H](OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000819693239 606181143 /nfs/dbraw/zinc/18/11/43/606181143.db2.gz PAGUSFKUQNMWSO-OAHLLOKOSA-N -1 3 342.424 2.445 20 30 EEEDHM C#CC[C@@H](OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000819693239 606181145 /nfs/dbraw/zinc/18/11/45/606181145.db2.gz PAGUSFKUQNMWSO-OAHLLOKOSA-N -1 3 342.424 2.445 20 30 EEEDHM CC(C)[C@](C)(C#N)NC(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000820015137 606326767 /nfs/dbraw/zinc/32/67/67/606326767.db2.gz AKHJPYQDEPKTLV-HNNXBMFYSA-N -1 3 330.417 2.013 20 30 EEEDHM CC(C)[C@](C)(C#N)NC(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000820015137 606326769 /nfs/dbraw/zinc/32/67/69/606326769.db2.gz AKHJPYQDEPKTLV-HNNXBMFYSA-N -1 3 330.417 2.013 20 30 EEEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000822801631 606445571 /nfs/dbraw/zinc/44/55/71/606445571.db2.gz LKJCRXOXCNIQNK-HOCLYGCPSA-N -1 3 347.382 2.107 20 30 EEEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822801631 606445572 /nfs/dbraw/zinc/44/55/72/606445572.db2.gz LKJCRXOXCNIQNK-HOCLYGCPSA-N -1 3 347.382 2.107 20 30 EEEDHM C=C[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000819730209 606813692 /nfs/dbraw/zinc/81/36/92/606813692.db2.gz SMVLDDBSBNZXQG-LLVKDONJSA-N -1 3 336.355 2.358 20 30 EEEDHM C=C[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000819730209 606813694 /nfs/dbraw/zinc/81/36/94/606813694.db2.gz SMVLDDBSBNZXQG-LLVKDONJSA-N -1 3 336.355 2.358 20 30 EEEDHM C=C[C@@H](C)NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000819730433 606813842 /nfs/dbraw/zinc/81/38/42/606813842.db2.gz ZXIUXVJGWFAQSD-LLVKDONJSA-N -1 3 339.355 2.343 20 30 EEEDHM C=C[C@@H](C)NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000819730433 606813844 /nfs/dbraw/zinc/81/38/44/606813844.db2.gz ZXIUXVJGWFAQSD-LLVKDONJSA-N -1 3 339.355 2.343 20 30 EEEDHM C=CCNC(=O)[C@@H](C)SCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819751257 606842671 /nfs/dbraw/zinc/84/26/71/606842671.db2.gz SWOGHRLILPHRPL-GFCCVEGCSA-N -1 3 347.444 2.060 20 30 EEEDHM C=CCNC(=O)[C@@H](C)SCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819751257 606842673 /nfs/dbraw/zinc/84/26/73/606842673.db2.gz SWOGHRLILPHRPL-GFCCVEGCSA-N -1 3 347.444 2.060 20 30 EEEDHM N#CCCn1ncc2c1ncnc2Sc1cccc(-c2nnn[n-]2)c1 ZINC000822811388 606945037 /nfs/dbraw/zinc/94/50/37/606945037.db2.gz YQWWZKQTGIWBKJ-UHFFFAOYSA-N -1 3 349.383 2.071 20 30 EEEDHM N#CCCn1ncc2c1ncnc2Sc1cccc(-c2nn[n-]n2)c1 ZINC000822811388 606945038 /nfs/dbraw/zinc/94/50/38/606945038.db2.gz YQWWZKQTGIWBKJ-UHFFFAOYSA-N -1 3 349.383 2.071 20 30 EEEDHM C=C(C)[C@H](CC(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1)OCC ZINC000823874077 607919688 /nfs/dbraw/zinc/91/96/88/607919688.db2.gz SCHABQMXIQLNNM-HNNXBMFYSA-N -1 3 346.387 2.290 20 30 EEEDHM C=C(C)[C@H](CC(=O)OCc1ccc(OC)c(-c2nn[n-]n2)c1)OCC ZINC000823874077 607919689 /nfs/dbraw/zinc/91/96/89/607919689.db2.gz SCHABQMXIQLNNM-HNNXBMFYSA-N -1 3 346.387 2.290 20 30 EEEDHM CON=Cc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000826166386 607947872 /nfs/dbraw/zinc/94/78/72/607947872.db2.gz IFPNACLLPNKVGA-UHFFFAOYSA-N -1 3 348.366 2.050 20 30 EEEDHM CON=Cc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000826166386 607947873 /nfs/dbraw/zinc/94/78/73/607947873.db2.gz IFPNACLLPNKVGA-UHFFFAOYSA-N -1 3 348.366 2.050 20 30 EEEDHM N#Cc1ccc(NC(=O)c2scnc2C2CC2)cc1-c1nnn[n-]1 ZINC000826385476 608028110 /nfs/dbraw/zinc/02/81/10/608028110.db2.gz OGIAAYZJUWRNFN-UHFFFAOYSA-N -1 3 337.368 2.325 20 30 EEEDHM N#Cc1ccc(NC(=O)c2scnc2C2CC2)cc1-c1nn[n-]n1 ZINC000826385476 608028111 /nfs/dbraw/zinc/02/81/11/608028111.db2.gz OGIAAYZJUWRNFN-UHFFFAOYSA-N -1 3 337.368 2.325 20 30 EEEDHM C#CCCCCC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000823838990 608308131 /nfs/dbraw/zinc/30/81/31/608308131.db2.gz XWJZIKNUHVHGRF-UHFFFAOYSA-N -1 3 335.371 2.185 20 30 EEEDHM CCc1nn(C)cc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000825762547 608879415 /nfs/dbraw/zinc/87/94/15/608879415.db2.gz DYVQLRWSUDITOS-FMIVXFBMSA-N -1 3 334.383 2.375 20 30 EEEDHM CCc1nn(C)cc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000825762547 608879417 /nfs/dbraw/zinc/87/94/17/608879417.db2.gz DYVQLRWSUDITOS-FMIVXFBMSA-N -1 3 334.383 2.375 20 30 EEEDHM N#CCCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826381225 609515204 /nfs/dbraw/zinc/51/52/04/609515204.db2.gz CCCGUOZGDABFOT-UHFFFAOYSA-N -1 3 349.354 2.088 20 30 EEEDHM N#CCCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826381225 609515207 /nfs/dbraw/zinc/51/52/07/609515207.db2.gz CCCGUOZGDABFOT-UHFFFAOYSA-N -1 3 349.354 2.088 20 30 EEEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC000914329513 683500849 /nfs/dbraw/zinc/50/08/49/683500849.db2.gz UOQSXNKSYLVELK-LBPRGKRZSA-N -1 3 338.454 2.273 20 30 EEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OC/C=C\Cl)ccc1F ZINC000914658981 683932456 /nfs/dbraw/zinc/93/24/56/683932456.db2.gz WYVQSEPKMVFWLA-UTCJRWHESA-N -1 3 333.768 2.199 20 30 EEEDHM COC(=O)c1ccc(-c2ccc(CN[C@@H]3CCCN([O-])C3=O)o2)cc1 ZINC000895160247 684150406 /nfs/dbraw/zinc/15/04/06/684150406.db2.gz LNJGBMARYOKQGN-OAHLLOKOSA-N -1 3 344.367 2.203 20 30 EEEDHM C=C1CC(C)(C(=O)N[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC001059811680 689856674 /nfs/dbraw/zinc/85/66/74/689856674.db2.gz XIQKKVITNMNQGH-PHIMTYICSA-N -1 3 332.360 2.111 20 30 EEEDHM CCCCN([O-])C(=O)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000904209153 694322387 /nfs/dbraw/zinc/32/23/87/694322387.db2.gz WJPNKCOELMSWDP-UHFFFAOYSA-N -1 3 329.418 2.267 20 30 EEEDHM CCCCN([O-])C(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000904208611 694322790 /nfs/dbraw/zinc/32/27/90/694322790.db2.gz CQVXCDYBCPYVQD-UHFFFAOYSA-N -1 3 333.182 2.132 20 30 EEEDHM CCCCN([O-])C(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000904210682 694323273 /nfs/dbraw/zinc/32/32/73/694323273.db2.gz XBVNAIXYEHRCMQ-OAHLLOKOSA-N -1 3 334.416 2.322 20 30 EEEDHM N#CCCCOc1cccnc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436565441 694370347 /nfs/dbraw/zinc/37/03/47/694370347.db2.gz JOESFQHKYUXNLT-UHFFFAOYSA-N -1 3 341.323 2.451 20 30 EEEDHM C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])CC(C)(C)C1 ZINC000990656796 693159380 /nfs/dbraw/zinc/15/93/80/693159380.db2.gz PYWPZHTYLQWJSV-KBPBESRZSA-N -1 3 343.427 2.299 20 30 EEEDHM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc(Cl)[n-]c1=O ZINC001272365133 1190788114 /nfs/dbraw/zinc/78/81/14/1190788114.db2.gz ZFUINMWGWGCQHH-CHWSQXEVSA-N -1 3 349.818 2.222 20 30 EEEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cncc(Br)c1 ZINC000126427338 1199886619 /nfs/dbraw/zinc/88/66/19/1199886619.db2.gz XILDKMVMFZQNHB-LLVKDONJSA-N -1 3 345.156 2.200 20 30 EEEDHM O=C(Nc1ccc(F)c(Br)c1)N[C@@H]1CCCN([O-])C1=O ZINC000878835708 1200704927 /nfs/dbraw/zinc/70/49/27/1200704927.db2.gz LTAMEDBROGDOIM-SNVBAGLBSA-N -1 3 346.156 2.090 20 30 EEEDHM CCOc1ccc(Cl)c(NC(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000879734631 1201232056 /nfs/dbraw/zinc/23/20/56/1201232056.db2.gz MFXGUVQOPSKNGT-LLVKDONJSA-N -1 3 327.768 2.240 20 30 EEEDHM O=C(Nc1ccc(Br)cc1F)N[C@H]1CCCN([O-])C1=O ZINC000866107928 1201434246 /nfs/dbraw/zinc/43/42/46/1201434246.db2.gz JTDZCXLGFKFANK-JTQLQIEISA-N -1 3 346.156 2.090 20 30 EEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)Cc1cccnc1 ZINC000889655441 1204668927 /nfs/dbraw/zinc/66/89/27/1204668927.db2.gz PSBDSBVRZHZZTO-GFCCVEGCSA-N -1 3 338.411 2.351 20 30 EEEDHM C#Cc1ccc(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3ccccc3[O-])C2)cc1 ZINC001012327279 1225194435 /nfs/dbraw/zinc/19/44/35/1225194435.db2.gz UBGSMUBCDHBBBJ-YOEHRIQHSA-N -1 3 348.402 2.407 20 30 EEEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccn2)cnn1C(C)(C)C ZINC000193532166 1210867689 /nfs/dbraw/zinc/86/76/89/1210867689.db2.gz KNCLNPSAOWFANT-LBPRGKRZSA-N -1 3 325.372 2.303 20 30 EEEDHM C=C1CC(C)(C(=O)N2C[C@H](C)[C@H](NC(=O)c3ccccc3[O-])C2)C1 ZINC000966792789 1220018170 /nfs/dbraw/zinc/01/81/70/1220018170.db2.gz ARZQXHGWBXSNDX-DZGCQCFKSA-N -1 3 328.412 2.325 20 30 EEEDHM N#Cc1cccnc1N1CC[C@@H]2CCN(C(=O)c3ccccc3[O-])C[C@@H]21 ZINC001044923790 1233375794 /nfs/dbraw/zinc/37/57/94/1233375794.db2.gz FWWKIBMANOEMBM-YOEHRIQHSA-N -1 3 348.406 2.400 20 30 EEEDHM CN(C[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(C#N)nc1 ZINC001067732571 1249459927 /nfs/dbraw/zinc/45/99/27/1249459927.db2.gz MSULDDWGYQJBBX-MRXNPFEDSA-N -1 3 336.395 2.400 20 30 EEEDHM C#CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1[O-])C2 ZINC001047491570 1236099444 /nfs/dbraw/zinc/09/94/44/1236099444.db2.gz PFVWMBJZKMYTGJ-XHSDSOJGSA-N -1 3 340.423 2.305 20 30 EEEDHM CC[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1c1ccc(C#N)cn1 ZINC001048526449 1237867106 /nfs/dbraw/zinc/86/71/06/1237867106.db2.gz KFIVATQOLGFYII-JKSUJKDBSA-N -1 3 336.395 2.446 20 30 EEEDHM CC(C)C#CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001050080309 1242798874 /nfs/dbraw/zinc/79/88/74/1242798874.db2.gz SXHKUOIKZXNLDQ-HUUCEWRRSA-N -1 3 328.412 2.018 20 30 EEEDHM C=CCCOCC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])C[C@@H]1C ZINC001074833455 1257160370 /nfs/dbraw/zinc/16/03/70/1257160370.db2.gz KQBBIRAXDLEVIG-GJZGRUSLSA-N -1 3 346.427 2.094 20 30 EEEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccnc(C)n2)c(C)c1[O-] ZINC001188179190 1279785532 /nfs/dbraw/zinc/78/55/32/1279785532.db2.gz FTWJGOXLUWZAJK-UHFFFAOYSA-N -1 3 340.339 2.100 20 30 EEEDHM C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2C(=O)N([O-])C[C@@H]2C)c1 ZINC001189278066 1280210886 /nfs/dbraw/zinc/21/08/86/1280210886.db2.gz HYAGDXCSFATEAD-WFASDCNBSA-N -1 3 331.416 2.490 20 30 EEEDHM N#Cc1ccc(C2([N-]S(=O)(=O)c3ncc(F)cc3F)CC2)cc1 ZINC001190207218 1280744770 /nfs/dbraw/zinc/74/47/70/1280744770.db2.gz HWWYTMUWRFQWGF-UHFFFAOYSA-N -1 3 335.335 2.199 20 30 EEEDHM C[C@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190671910 1280995813 /nfs/dbraw/zinc/99/58/13/1280995813.db2.gz YKYYYGRNEQKTPO-LLVKDONJSA-N -1 3 334.372 2.312 20 30 EEEDHM N#CC1([N-]S(=O)(=O)c2cnccc2Cl)Cc2ccccc2C1 ZINC001192930137 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EEEDHM C#C[C@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC001588326443 1348886724 /nfs/dbraw/zinc/88/67/24/1348886724.db2.gz LZPIWTXRCJZPTE-LBPRGKRZSA-N -1 3 333.351 2.411 20 30 EEEDHM C#C[C@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC001588326443 1348886732 /nfs/dbraw/zinc/88/67/32/1348886732.db2.gz LZPIWTXRCJZPTE-LBPRGKRZSA-N -1 3 333.351 2.411 20 30 EEEDHM C#C[C@H](NC(=O)Nc1cc(OC)c(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC001588329568 1348888496 /nfs/dbraw/zinc/88/84/96/1348888496.db2.gz JJCIMRQUCFCZCL-ZDUSSCGKSA-N -1 3 346.366 2.184 20 30 EEEDHM C#C[C@H](NC(=O)Nc1cc(OC)c(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC001588329568 1348888501 /nfs/dbraw/zinc/88/85/01/1348888501.db2.gz JJCIMRQUCFCZCL-ZDUSSCGKSA-N -1 3 346.366 2.184 20 30 EEEDHM C#CC[C@H]1CCCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588335541 1348891401 /nfs/dbraw/zinc/89/14/01/1348891401.db2.gz QLDMXUAAGWVHSQ-ZDUSSCGKSA-N -1 3 341.440 2.221 20 30 EEEDHM C#CC[C@H]1CCCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588335541 1348891406 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VRNXMZXYMDBSCU-PWSUYJOCSA-N -1 3 348.432 2.339 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1scc(C)c1-c1nn[n-]n1 ZINC001588401609 1348900860 /nfs/dbraw/zinc/90/08/60/1348900860.db2.gz VRNXMZXYMDBSCU-PWSUYJOCSA-N -1 3 348.432 2.339 20 30 EEEDHM C=C(C)CCC(=O)NC[C@@H](C)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588415102 1348903284 /nfs/dbraw/zinc/90/32/84/1348903284.db2.gz CDJKZMFHIBNZPF-GFCCVEGCSA-N -1 3 343.435 2.091 20 30 EEEDHM C=C(C)CCC(=O)NC[C@@H](C)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588415102 1348903287 /nfs/dbraw/zinc/90/32/87/1348903287.db2.gz CDJKZMFHIBNZPF-GFCCVEGCSA-N -1 3 343.435 2.091 20 30 EEEDHM C=C(C)CCNC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001588424849 1348903891 /nfs/dbraw/zinc/90/38/91/1348903891.db2.gz OMTDRXIUTRTVTQ-OAHLLOKOSA-N -1 3 329.404 2.353 20 30 EEEDHM C=C(C)CCNC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001588424849 1348903895 /nfs/dbraw/zinc/90/38/95/1348903895.db2.gz OMTDRXIUTRTVTQ-OAHLLOKOSA-N -1 3 329.404 2.353 20 30 EEEDHM C=C(C)CN(C)C(=O)Nc1cc(C)c(N(C)C)cc1-c1nnn[n-]1 ZINC001588425864 1348904231 /nfs/dbraw/zinc/90/42/31/1348904231.db2.gz XZEPZKFRJOEFGO-UHFFFAOYSA-N -1 3 329.408 2.281 20 30 EEEDHM C=C(C)CN(C)C(=O)Nc1cc(C)c(N(C)C)cc1-c1nn[n-]n1 ZINC001588425864 1348904233 /nfs/dbraw/zinc/90/42/33/1348904233.db2.gz XZEPZKFRJOEFGO-UHFFFAOYSA-N -1 3 329.408 2.281 20 30 EEEDHM C=C(C)CN(CC)C(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001588426364 1348904291 /nfs/dbraw/zinc/90/42/91/1348904291.db2.gz UYYNRUYZSUHXDV-HNNXBMFYSA-N -1 3 326.404 2.462 20 30 EEEDHM C=C(C)CN(CC)C(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001588426364 1348904295 /nfs/dbraw/zinc/90/42/95/1348904295.db2.gz UYYNRUYZSUHXDV-HNNXBMFYSA-N -1 3 326.404 2.462 20 30 EEEDHM C=C(C)Cn1c(-c2ccc(C)c(-c3nnn[n-]3)c2)nnc1N(C)OC ZINC001588436295 1348904930 /nfs/dbraw/zinc/90/49/30/1348904930.db2.gz IQLFDCRYANUHNP-UHFFFAOYSA-N -1 3 340.391 2.007 20 30 EEEDHM C=C(C)Cn1c(-c2ccc(C)c(-c3nn[n-]n3)c2)nnc1N(C)OC ZINC001588436295 1348904935 /nfs/dbraw/zinc/90/49/35/1348904935.db2.gz IQLFDCRYANUHNP-UHFFFAOYSA-N -1 3 340.391 2.007 20 30 EEEDHM C=CC(C)(C)C(=O)N[C@@H](C)CCNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588474606 1348907443 /nfs/dbraw/zinc/90/74/43/1348907443.db2.gz FCWLXJSFZQXUBC-LBPRGKRZSA-N -1 3 343.435 2.089 20 30 EEEDHM C=CC(C)(C)C(=O)N[C@@H](C)CCNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588474606 1348907446 /nfs/dbraw/zinc/90/74/46/1348907446.db2.gz FCWLXJSFZQXUBC-LBPRGKRZSA-N -1 3 343.435 2.089 20 30 EEEDHM C=CC(C)(C)CC(=O)N1CCO[C@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588484482 1348909227 /nfs/dbraw/zinc/90/92/27/1348909227.db2.gz FKAAPAWZADMDDF-HNNXBMFYSA-N -1 3 341.415 2.369 20 30 EEEDHM C=CC(C)(C)CC(=O)N1CCO[C@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588484482 1348909231 /nfs/dbraw/zinc/90/92/31/1348909231.db2.gz FKAAPAWZADMDDF-HNNXBMFYSA-N -1 3 341.415 2.369 20 30 EEEDHM C=CC(C)(C)CC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001588487544 1348909510 /nfs/dbraw/zinc/90/95/10/1348909510.db2.gz UQXYODODMJVLQJ-NSHDSACASA-N -1 3 343.387 2.339 20 30 EEEDHM C=CC(C)(C)CC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001588487544 1348909513 /nfs/dbraw/zinc/90/95/13/1348909513.db2.gz UQXYODODMJVLQJ-NSHDSACASA-N -1 3 343.387 2.339 20 30 EEEDHM C=CC[C@@H](CC)NS(=O)(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588541915 1348914447 /nfs/dbraw/zinc/91/44/47/1348914447.db2.gz UUVDWWWQVRJLMM-CQSZACIVSA-N -1 3 349.460 2.258 20 30 EEEDHM C=CC[C@@H](CC)NS(=O)(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588541915 1348914450 /nfs/dbraw/zinc/91/44/50/1348914450.db2.gz UUVDWWWQVRJLMM-CQSZACIVSA-N -1 3 349.460 2.258 20 30 EEEDHM C=CCCCC(=O)N1C[C@H](Nc2ncccc2-c2nnn[n-]2)C[C@@H]1C ZINC001588582706 1348920689 /nfs/dbraw/zinc/92/06/89/1348920689.db2.gz NUAOJJDWONYSAL-QWHCGFSZSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCCC(=O)N1C[C@H](Nc2ncccc2-c2nn[n-]n2)C[C@@H]1C ZINC001588582706 1348920692 /nfs/dbraw/zinc/92/06/92/1348920692.db2.gz NUAOJJDWONYSAL-QWHCGFSZSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCCNC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC001588600489 1348922667 /nfs/dbraw/zinc/92/26/67/1348922667.db2.gz DDIDTGFFHFFANN-UHFFFAOYSA-N -1 3 346.460 2.361 20 30 EEEDHM C=CCCCNC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC001588600489 1348922668 /nfs/dbraw/zinc/92/26/68/1348922668.db2.gz DDIDTGFFHFFANN-UHFFFAOYSA-N -1 3 346.460 2.361 20 30 EEEDHM C=CCCN(C)C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC001588602868 1348923067 /nfs/dbraw/zinc/92/30/67/1348923067.db2.gz ABYCWNVGBJHZRS-UHFFFAOYSA-N -1 3 346.460 2.317 20 30 EEEDHM C=CCCN(C)C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC001588602868 1348923070 /nfs/dbraw/zinc/92/30/70/1348923070.db2.gz ABYCWNVGBJHZRS-UHFFFAOYSA-N -1 3 346.460 2.317 20 30 EEEDHM C=CCN(CC(F)(F)F)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001588628425 1348924091 /nfs/dbraw/zinc/92/40/91/1348924091.db2.gz YHQACFGKHSVUPS-UHFFFAOYSA-N -1 3 326.282 2.449 20 30 EEEDHM C=CCN(CC(F)(F)F)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001588628425 1348924093 /nfs/dbraw/zinc/92/40/93/1348924093.db2.gz YHQACFGKHSVUPS-UHFFFAOYSA-N -1 3 326.282 2.449 20 30 EEEDHM CC(C)(C)[C@H](C#N)NC(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001589043528 1348954868 /nfs/dbraw/zinc/95/48/68/1348954868.db2.gz HXRSBZKHRWDFAA-ZDUSSCGKSA-N -1 3 326.404 2.199 20 30 EEEDHM CC(C)(C)[C@H](C#N)NC(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001589043528 1348954870 /nfs/dbraw/zinc/95/48/70/1348954870.db2.gz HXRSBZKHRWDFAA-ZDUSSCGKSA-N -1 3 326.404 2.199 20 30 EEEDHM CC(C)(NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC001589319464 1348983231 /nfs/dbraw/zinc/98/32/31/1348983231.db2.gz NZFXHKQMDRARFN-UHFFFAOYSA-N -1 3 332.367 2.403 20 30 EEEDHM CC(C)(NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC001589319464 1348983233 /nfs/dbraw/zinc/98/32/33/1348983233.db2.gz NZFXHKQMDRARFN-UHFFFAOYSA-N -1 3 332.367 2.403 20 30 EEEDHM C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589959597 1349080217 /nfs/dbraw/zinc/08/02/17/1349080217.db2.gz ZPCYXPSMTWBDTC-XHDPSFHLSA-N -1 3 346.394 2.262 20 30 EEEDHM C[C@@H](OC1CCCCC1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001590015929 1349109927 /nfs/dbraw/zinc/10/99/27/1349109927.db2.gz NUZLPXXKRJPCMV-LLVKDONJSA-N -1 3 340.387 2.415 20 30 EEEDHM C[C@@H](OC1CCCCC1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001590015929 1349109937 /nfs/dbraw/zinc/10/99/37/1349109937.db2.gz NUZLPXXKRJPCMV-LLVKDONJSA-N -1 3 340.387 2.415 20 30 EEEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C#Cc1ccccc1 ZINC001590040187 1349121484 /nfs/dbraw/zinc/12/14/84/1349121484.db2.gz HPQKNXVPDZRMBX-AWEZNQCLSA-N -1 3 331.379 2.438 20 30 EEEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C#Cc1ccccc1 ZINC001590040187 1349121489 /nfs/dbraw/zinc/12/14/89/1349121489.db2.gz HPQKNXVPDZRMBX-AWEZNQCLSA-N -1 3 331.379 2.438 20 30 EEEDHM C[C@]1(C#N)CCN(c2cccc(Br)c2-c2nnn[n-]2)C1 ZINC001590056677 1349135131 /nfs/dbraw/zinc/13/51/31/1349135131.db2.gz QJSQTULSCXYGCF-CYBMUJFWSA-N -1 3 333.193 2.369 20 30 EEEDHM C[C@]1(C#N)CCN(c2cccc(Br)c2-c2nn[n-]n2)C1 ZINC001590056677 1349135133 /nfs/dbraw/zinc/13/51/33/1349135133.db2.gz QJSQTULSCXYGCF-CYBMUJFWSA-N -1 3 333.193 2.369 20 30 EEEDHM CCC(C)(C)c1ccc(Cn2c(N)nc(C#N)c2-c2nnn[n-]2)cc1 ZINC001590378146 1349292773 /nfs/dbraw/zinc/29/27/73/1349292773.db2.gz CAYBYBXZINEMTA-UHFFFAOYSA-N -1 3 336.403 2.253 20 30 EEEDHM CCC(C)(C)c1ccc(Cn2c(N)nc(C#N)c2-c2nn[n-]n2)cc1 ZINC001590378146 1349292775 /nfs/dbraw/zinc/29/27/75/1349292775.db2.gz CAYBYBXZINEMTA-UHFFFAOYSA-N -1 3 336.403 2.253 20 30 EEEDHM CN(Cc1cc(-c2nnn[n-]2)cs1)C(=O)Nc1cccc(C#N)c1 ZINC001591128526 1349439431 /nfs/dbraw/zinc/43/94/31/1349439431.db2.gz MNJWYJBCTCTLTQ-UHFFFAOYSA-N -1 3 339.384 2.464 20 30 EEEDHM CN(Cc1cc(-c2nn[n-]n2)cs1)C(=O)Nc1cccc(C#N)c1 ZINC001591128526 1349439439 /nfs/dbraw/zinc/43/94/39/1349439439.db2.gz MNJWYJBCTCTLTQ-UHFFFAOYSA-N -1 3 339.384 2.464 20 30 EEEDHM CNc1ccc(C#N)cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001591225497 1349451079 /nfs/dbraw/zinc/45/10/79/1349451079.db2.gz UKFJRTVXJUYDBI-CLFYSBASSA-N -1 3 345.366 2.432 20 30 EEEDHM CNc1ccc(C#N)cc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001591225497 1349451083 /nfs/dbraw/zinc/45/10/83/1349451083.db2.gz UKFJRTVXJUYDBI-CLFYSBASSA-N -1 3 345.366 2.432 20 30 EEEDHM Cc1cc(C#N)cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)n1 ZINC001591906418 1349554530 /nfs/dbraw/zinc/55/45/30/1349554530.db2.gz IBCNCPXDKASEFP-SREVYHEPSA-N -1 3 331.339 2.094 20 30 EEEDHM Cc1cc(C#N)cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)n1 ZINC001591906418 1349554535 /nfs/dbraw/zinc/55/45/35/1349554535.db2.gz IBCNCPXDKASEFP-SREVYHEPSA-N -1 3 331.339 2.094 20 30 EEEDHM N#Cc1cc(-c2nnn[n-]2)c(SC[C@@H]2CC[C@@H]3C[C@@H]3C2)nc1N ZINC001592687181 1349705137 /nfs/dbraw/zinc/70/51/37/1349705137.db2.gz OQZAIYLUNPYOLP-BBBLOLIVSA-N -1 3 327.417 2.244 20 30 EEEDHM N#Cc1cc(-c2nn[n-]n2)c(SC[C@@H]2CC[C@@H]3C[C@@H]3C2)nc1N ZINC001592687181 1349705140 /nfs/dbraw/zinc/70/51/40/1349705140.db2.gz OQZAIYLUNPYOLP-BBBLOLIVSA-N -1 3 327.417 2.244 20 30 EEEDHM N#Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccn2)ccc1Cl ZINC001592688030 1349705467 /nfs/dbraw/zinc/70/54/67/1349705467.db2.gz ULNWCKAEEFSATA-UHFFFAOYSA-N -1 3 325.719 2.039 20 30 EEEDHM 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EEEDHM Cc1cc(C#N)nc(N[C@@H]2C[C@@H](C)N(C(=O)c3ccccc3[O-])C2)n1 ZINC001069017292 1252086457 /nfs/dbraw/zinc/08/64/57/1252086457.db2.gz KLJFTAFKPBIWPA-TZMCWYRMSA-N -1 3 337.383 2.077 20 30 EEEDHM C=CCCC1(C(=O)N2CCC(CC)(NC(=O)c3cn[n-]n3)CC2)CC1 ZINC001069595727 1253050821 /nfs/dbraw/zinc/05/08/21/1253050821.db2.gz HDHRTECDOPMJNB-UHFFFAOYSA-N -1 3 345.447 2.052 20 30 EEEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc(CO)o2)c(C)c1[O-] ZINC001189154755 1280157549 /nfs/dbraw/zinc/15/75/49/1280157549.db2.gz SMSBYNLIIIEKJT-UHFFFAOYSA-N -1 3 344.323 2.087 20 30 EEEDHM C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1sccc1C(=O)[O-] ZINC001273680249 1283182392 /nfs/dbraw/zinc/18/23/92/1283182392.db2.gz UGMHBPVPROPPOS-KRWDZBQOSA-N -1 3 332.425 2.037 20 30 EEEDHM Cc1coc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1C#N ZINC001194959883 1283377830 /nfs/dbraw/zinc/37/78/30/1283377830.db2.gz CVHYUKLMIQQKND-UHFFFAOYSA-N -1 3 337.332 2.223 20 30 EEEDHM C=CCCC(=O)N1CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC001195226953 1283496866 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CC(C)C#CC(=O)NCCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC001102099749 1300300629 /nfs/dbraw/zinc/30/06/29/1300300629.db2.gz TYGYWJXHGVHZBM-UHFFFAOYSA-N -1 3 348.403 2.076 20 30 EEEDHM C[C@H](c1ccccn1)N1CC[C@@H](Oc2[n-]c(=O)c(F)cc2C#N)C1 ZINC001226008910 1301231027 /nfs/dbraw/zinc/23/10/27/1301231027.db2.gz NZZSWIWAARWIBZ-DGCLKSJQSA-N -1 3 328.347 2.407 20 30 EEEDHM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1nccc(/C=N/[O-])n1 ZINC001226257892 1301325488 /nfs/dbraw/zinc/32/54/88/1301325488.db2.gz QXDLDAHZEMZYLA-MPVQVLGCSA-N -1 3 336.392 2.309 20 30 EEEDHM N#Cc1ccccc1N1CCN(Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001231445951 1303798581 /nfs/dbraw/zinc/79/85/81/1303798581.db2.gz CYWZAXALRNQSFL-UHFFFAOYSA-N -1 3 337.379 2.284 20 30 EEEDHM C=CCOC[C@H]1c2nnn(CC)c2CCN1Cc1cccc([O-])c1F ZINC001233051687 1304344923 /nfs/dbraw/zinc/34/49/23/1304344923.db2.gz SPJPUDVCSHWILD-HNNXBMFYSA-N -1 3 346.406 2.445 20 30 EEEDHM Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@H](C)Nc1cccc(F)c1C#N ZINC001120524098 1309593155 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Cc1cn2cccc([N-]S(=O)(=O)Cc3ccc(C#N)cc3)c2n1 ZINC001260038220 1319779925 /nfs/dbraw/zinc/77/99/25/1319779925.db2.gz UNLRZSZHGUYPRL-UHFFFAOYSA-N -1 3 326.381 2.456 20 30 EEEDHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)Cc2ccc(C#N)cc2)c1 ZINC001260043741 1319781470 /nfs/dbraw/zinc/78/14/70/1319781470.db2.gz GMHUMGSDFGNOAJ-UHFFFAOYSA-N -1 3 348.355 2.426 20 30 EEEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(F)(F)c1ccc2c(Cl)ncnc2c1 ZINC001160173727 1320089834 /nfs/dbraw/zinc/08/98/34/1320089834.db2.gz RXGVFFOGNMYMKR-CPCISQLKSA-N -1 3 342.733 2.158 20 30 EEEDHM C=CCOC[C@H]1c2nnn(C)c2CCN1Cc1cc(Cl)ccc1[O-] ZINC001203656699 1321933952 /nfs/dbraw/zinc/93/39/52/1321933952.db2.gz UXDTXBJFBHBDTJ-HNNXBMFYSA-N -1 3 348.834 2.476 20 30 EEEDHM Cc1c(NC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)cccc1-c1nnn[n-]1 ZINC001591825095 1349542450 /nfs/dbraw/zinc/54/24/50/1349542450.db2.gz DCFPHHYWZPQTSA-BXUZGUMPSA-N -1 3 325.376 2.331 20 30 EEEDHM Cc1c(NC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)cccc1-c1nn[n-]n1 ZINC001591825095 1349542453 /nfs/dbraw/zinc/54/24/53/1349542453.db2.gz DCFPHHYWZPQTSA-BXUZGUMPSA-N -1 3 325.376 2.331 20 30 EEEDHM Brc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC001602671037 1350570957 /nfs/dbraw/zinc/57/09/57/1350570957.db2.gz DBPWYQUMTNELTM-UHFFFAOYSA-N -1 3 347.176 2.346 20 30 EEEDHM Brc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001602671037 1350570958 /nfs/dbraw/zinc/57/09/58/1350570958.db2.gz DBPWYQUMTNELTM-UHFFFAOYSA-N -1 3 347.176 2.346 20 30 EEEDHM Cc1ccc(C#N)cc1C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001605806086 1351225667 /nfs/dbraw/zinc/22/56/67/1351225667.db2.gz URERNIPQZWVGAD-UHFFFAOYSA-N -1 3 344.378 2.466 20 30 EEEDHM Cc1ccc(C#N)cc1C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001605806086 1351225673 /nfs/dbraw/zinc/22/56/73/1351225673.db2.gz URERNIPQZWVGAD-UHFFFAOYSA-N -1 3 344.378 2.466 20 30 EEEDHM C=CC[C@H](CO)Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC001609053062 1351824963 /nfs/dbraw/zinc/82/49/63/1351824963.db2.gz AQDRBCVPRXVJRL-GFCCVEGCSA-N -1 3 349.398 2.325 20 30 EEEDHM C=CC[C@H](CO)Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC001609053062 1351824966 /nfs/dbraw/zinc/82/49/66/1351824966.db2.gz AQDRBCVPRXVJRL-GFCCVEGCSA-N -1 3 349.398 2.325 20 30 EEEDHM C=CCC(C)(C)CNC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609052472 1351824432 /nfs/dbraw/zinc/82/44/32/1351824432.db2.gz DJBVCYWZVTYYNI-HNNXBMFYSA-N -1 3 338.415 2.267 20 30 EEEDHM C=CC[C@@H](CC)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001609052819 1351824539 /nfs/dbraw/zinc/82/45/39/1351824539.db2.gz QSAXOSZDMIZCLY-GDBMZVCRSA-N -1 3 340.431 2.306 20 30 EEEDHM C=CCC(F)(F)C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC001609053265 1351825382 /nfs/dbraw/zinc/82/53/82/1351825382.db2.gz GVZMINCUNJNTNI-UHFFFAOYSA-N -1 3 333.298 2.374 20 30 EEEDHM C=CCC(F)(F)C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC001609053265 1351825388 /nfs/dbraw/zinc/82/53/88/1351825388.db2.gz GVZMINCUNJNTNI-UHFFFAOYSA-N -1 3 333.298 2.374 20 30 EEEDHM CCN(C(=O)c1cc(C#N)ccn1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609220089 1351898579 /nfs/dbraw/zinc/89/85/79/1351898579.db2.gz ZUMCQFGZXKIIGO-LBPRGKRZSA-N -1 3 347.382 2.357 20 30 EEEDHM CCN(C(=O)c1cc(C#N)ccn1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609220089 1351898589 /nfs/dbraw/zinc/89/85/89/1351898589.db2.gz ZUMCQFGZXKIIGO-LBPRGKRZSA-N -1 3 347.382 2.357 20 30 EEEDHM CCc1ccc([C@@H](C#N)NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001609252251 1351910133 /nfs/dbraw/zinc/91/01/33/1351910133.db2.gz OGMHTBSKDUAXJL-MRXNPFEDSA-N -1 3 332.367 2.424 20 30 EEEDHM CCc1ccc([C@@H](C#N)NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001609252251 1351910134 /nfs/dbraw/zinc/91/01/34/1351910134.db2.gz OGMHTBSKDUAXJL-MRXNPFEDSA-N -1 3 332.367 2.424 20 30 EEEDHM Cc1cc(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc(C#N)n1 ZINC001609405287 1351963177 /nfs/dbraw/zinc/96/31/77/1351963177.db2.gz DFLPIOSWYFQVBX-QGZVFWFLSA-N -1 3 347.382 2.020 20 30 EEEDHM Cc1cc(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc(C#N)n1 ZINC001609405287 1351963182 /nfs/dbraw/zinc/96/31/82/1351963182.db2.gz DFLPIOSWYFQVBX-QGZVFWFLSA-N -1 3 347.382 2.020 20 30 EEEDHM Cc1cc(OC(=O)Cc2ccccc2CC#N)ccc1-c1nnn[n-]1 ZINC001609410032 1351965968 /nfs/dbraw/zinc/96/59/68/1351965968.db2.gz HZUOUKQHWIYMKC-UHFFFAOYSA-N -1 3 333.351 2.389 20 30 EEEDHM Cc1cc(OC(=O)Cc2ccccc2CC#N)ccc1-c1nn[n-]n1 ZINC001609410032 1351965970 /nfs/dbraw/zinc/96/59/70/1351965970.db2.gz HZUOUKQHWIYMKC-UHFFFAOYSA-N -1 3 333.351 2.389 20 30 EEEDHM C=CCOC[C@H](NCc1ccc(Br)cc1F)C(=O)[O-] ZINC001609452251 1351983137 /nfs/dbraw/zinc/98/31/37/1351983137.db2.gz BZYFOQVZAVSUSZ-LBPRGKRZSA-N -1 3 332.169 2.334 20 30 EEEDHM N#CC1(N(C(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C2CC2)CCC1 ZINC001609495289 1351998439 /nfs/dbraw/zinc/99/84/39/1351998439.db2.gz ZYPKGURMQXTGQA-UHFFFAOYSA-N -1 3 326.335 2.057 20 30 EEEDHM N#CC1(N(C(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C2CC2)CCC1 ZINC001609495289 1351998441 /nfs/dbraw/zinc/99/84/41/1351998441.db2.gz ZYPKGURMQXTGQA-UHFFFAOYSA-N -1 3 326.335 2.057 20 30 EEEDHM O=C(C=Cc1ccc2c(c1)NC(=O)CO2)c1cccc(-c2nnn[n-]2)c1 ZINC001609589245 1352028207 /nfs/dbraw/zinc/02/82/07/1352028207.db2.gz PHWOCDYEHHPTLG-XQRVVYSFSA-N -1 3 347.334 2.094 20 30 EEEDHM O=C(C=Cc1ccc2c(c1)NC(=O)CO2)c1cccc(-c2nn[n-]n2)c1 ZINC001609589245 1352028214 /nfs/dbraw/zinc/02/82/14/1352028214.db2.gz PHWOCDYEHHPTLG-XQRVVYSFSA-N -1 3 347.334 2.094 20 30 EEEDHM CCN(CCNC(=O)c1ccccc1[O-])c1ncc(C#N)cc1F ZINC001100448799 1338380991 /nfs/dbraw/zinc/38/09/91/1338380991.db2.gz IDVSVZPJTKPKKI-UHFFFAOYSA-N -1 3 328.347 2.054 20 30 EEEDHM CC(C)C[C@@H]1C[C@H]1NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574237009 1343671512 /nfs/dbraw/zinc/67/15/12/1343671512.db2.gz SHWUWVFKUGIQCD-BZUAXINKSA-N -1 3 338.415 2.100 20 30 EEEDHM CN(CCc1nc2ccccc2[nH]1)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001579232520 1344355459 /nfs/dbraw/zinc/35/54/59/1344355459.db2.gz FNTNKDKHFLBYNL-UHFFFAOYSA-N -1 3 344.382 2.294 20 30 EEEDHM CN(CCc1nc2ccccc2[nH]1)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001579232520 1344355461 /nfs/dbraw/zinc/35/54/61/1344355461.db2.gz FNTNKDKHFLBYNL-UHFFFAOYSA-N -1 3 344.382 2.294 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(C#N)c(F)c1 ZINC001579882290 1344425950 /nfs/dbraw/zinc/42/59/50/1344425950.db2.gz YNXVEVWDYBHYOK-UHFFFAOYSA-N -1 3 338.302 2.138 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(C#N)c(F)c1 ZINC001579882290 1344425952 /nfs/dbraw/zinc/42/59/52/1344425952.db2.gz YNXVEVWDYBHYOK-UHFFFAOYSA-N -1 3 338.302 2.138 20 30 EEEDHM Cc1sc(NC(=O)c2cc(-c3nnn[n-]3)ccn2)c(C#N)c1C ZINC001581741447 1344659060 /nfs/dbraw/zinc/65/90/60/1344659060.db2.gz DOVMTMBOSIOGEB-UHFFFAOYSA-N -1 3 325.357 2.064 20 30 EEEDHM Cc1sc(NC(=O)c2cc(-c3nn[n-]n3)ccn2)c(C#N)c1C ZINC001581741447 1344659062 /nfs/dbraw/zinc/65/90/62/1344659062.db2.gz DOVMTMBOSIOGEB-UHFFFAOYSA-N -1 3 325.357 2.064 20 30 EEEDHM N#Cc1cccc([C@@H]2C[C@H]2C(=O)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001581875517 1344683556 /nfs/dbraw/zinc/68/35/56/1344683556.db2.gz BJJMRDWJORQWQN-JKSUJKDBSA-N -1 3 331.335 2.447 20 30 EEEDHM N#Cc1cccc([C@@H]2C[C@H]2C(=O)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001581875517 1344683561 /nfs/dbraw/zinc/68/35/61/1344683561.db2.gz BJJMRDWJORQWQN-JKSUJKDBSA-N -1 3 331.335 2.447 20 30 EEEDHM C#C[C@H](CCC)NC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001588327064 1348886351 /nfs/dbraw/zinc/88/63/51/1348886351.db2.gz AUFKJCIXZKNUJV-CZUORRHYSA-N -1 3 341.415 2.188 20 30 EEEDHM C#C[C@H](CCC)NC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001588327064 1348886356 /nfs/dbraw/zinc/88/63/56/1348886356.db2.gz AUFKJCIXZKNUJV-CZUORRHYSA-N -1 3 341.415 2.188 20 30 EEEDHM C#C[C@H]1CCCCN1C(=O)Nc1cc(OC)c(-c2nnn[n-]2)cc1F ZINC001588332628 1348889023 /nfs/dbraw/zinc/88/90/23/1348889023.db2.gz OLOFSJBGZWSCPI-JTQLQIEISA-N -1 3 344.350 2.034 20 30 EEEDHM C#C[C@H]1CCCCN1C(=O)Nc1cc(OC)c(-c2nn[n-]n2)cc1F ZINC001588332628 1348889032 /nfs/dbraw/zinc/88/90/32/1348889032.db2.gz OLOFSJBGZWSCPI-JTQLQIEISA-N -1 3 344.350 2.034 20 30 EEEDHM C#CCN(C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001588349670 1348893119 /nfs/dbraw/zinc/89/31/19/1348893119.db2.gz VLXVBKRWGYLIOH-UHFFFAOYSA-N -1 3 349.354 2.151 20 30 EEEDHM C#CCN(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001588349670 1348893130 /nfs/dbraw/zinc/89/31/30/1348893130.db2.gz VLXVBKRWGYLIOH-UHFFFAOYSA-N -1 3 349.354 2.151 20 30 EEEDHM C#Cc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC001588373406 1348896393 /nfs/dbraw/zinc/89/63/93/1348896393.db2.gz JDECOMFYKFGJJG-UHFFFAOYSA-N -1 3 336.330 2.309 20 30 EEEDHM C#Cc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC001588373406 1348896395 /nfs/dbraw/zinc/89/63/95/1348896395.db2.gz JDECOMFYKFGJJG-UHFFFAOYSA-N -1 3 336.330 2.309 20 30 EEEDHM C(=NN[C@H]1CCCSC1)c1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC001588381878 1348899466 /nfs/dbraw/zinc/89/94/66/1348899466.db2.gz VKXXVILMHWATOZ-LBPRGKRZSA-N -1 3 327.417 2.167 20 30 EEEDHM C(=NN[C@H]1CCCSC1)c1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC001588381878 1348899470 /nfs/dbraw/zinc/89/94/70/1348899470.db2.gz VKXXVILMHWATOZ-LBPRGKRZSA-N -1 3 327.417 2.167 20 30 EEEDHM C=C(C)C[C@H](C)C(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588400809 1348900406 /nfs/dbraw/zinc/90/04/06/1348900406.db2.gz GRKVBGJTDLCVJG-AWEZNQCLSA-N -1 3 343.431 2.444 20 30 EEEDHM C=C(C)C[C@H](C)C(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588400809 1348900409 /nfs/dbraw/zinc/90/04/09/1348900409.db2.gz GRKVBGJTDLCVJG-AWEZNQCLSA-N -1 3 343.431 2.444 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001588401580 1348900830 /nfs/dbraw/zinc/90/08/30/1348900830.db2.gz UPNPSZNOYNGDPG-FZMZJTMJSA-N -1 3 346.366 2.109 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001588401580 1348900832 /nfs/dbraw/zinc/90/08/32/1348900832.db2.gz UPNPSZNOYNGDPG-FZMZJTMJSA-N -1 3 346.366 2.109 20 30 EEEDHM C=C(C)CCC(=O)NC[C@H](CC)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588416022 1348902613 /nfs/dbraw/zinc/90/26/13/1348902613.db2.gz RJCHBCCCMVQISD-NSHDSACASA-N -1 3 349.464 2.295 20 30 EEEDHM C=C(Cl)C[C@H](Nc1cc(-c2nnn[n-]2)cc(C)n1)C(=O)OCC ZINC001588449174 1348906395 /nfs/dbraw/zinc/90/63/95/1348906395.db2.gz HQWRCOZTSLORGA-NSHDSACASA-N -1 3 336.783 2.056 20 30 EEEDHM C=C(Cl)C[C@H](Nc1cc(-c2nn[n-]n2)cc(C)n1)C(=O)OCC ZINC001588449174 1348906400 /nfs/dbraw/zinc/90/64/00/1348906400.db2.gz HQWRCOZTSLORGA-NSHDSACASA-N -1 3 336.783 2.056 20 30 EEEDHM C=C[C@@H](C(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1 ZINC001588467453 1348907235 /nfs/dbraw/zinc/90/72/35/1348907235.db2.gz JKYBPPIDZHIQCQ-ZWKOTPCHSA-N -1 3 345.406 2.420 20 30 EEEDHM C=C[C@@H](C(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1 ZINC001588467453 1348907237 /nfs/dbraw/zinc/90/72/37/1348907237.db2.gz JKYBPPIDZHIQCQ-ZWKOTPCHSA-N -1 3 345.406 2.420 20 30 EEEDHM C=CC(C)(C)CCNS(=O)(=O)c1ccc(C)cc1-c1nnn[n-]1 ZINC001588488694 1348909323 /nfs/dbraw/zinc/90/93/23/1348909323.db2.gz MYQSRCBDHYVURM-UHFFFAOYSA-N -1 3 335.433 2.056 20 30 EEEDHM C=CC(C)(C)CCNS(=O)(=O)c1ccc(C)cc1-c1nn[n-]n1 ZINC001588488694 1348909326 /nfs/dbraw/zinc/90/93/26/1348909326.db2.gz MYQSRCBDHYVURM-UHFFFAOYSA-N -1 3 335.433 2.056 20 30 EEEDHM C=C[C@](C)(CC)C(=O)NC[C@@H](CC)Nc1ncccc1-c1nnn[n-]1 ZINC001588494503 1348910065 /nfs/dbraw/zinc/91/00/65/1348910065.db2.gz SRLMUUCIVBDARM-SJKOYZFVSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@](C)(CC)C(=O)NC[C@@H](CC)Nc1ncccc1-c1nn[n-]n1 ZINC001588494503 1348910067 /nfs/dbraw/zinc/91/00/67/1348910067.db2.gz SRLMUUCIVBDARM-SJKOYZFVSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@](C)(CCOC)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC001588499810 1348910184 /nfs/dbraw/zinc/91/01/84/1348910184.db2.gz MRKSUXMVESEWIB-MRXNPFEDSA-N -1 3 334.351 2.278 20 30 EEEDHM C=C[C@](C)(CCOC)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC001588499810 1348910187 /nfs/dbraw/zinc/91/01/87/1348910187.db2.gz MRKSUXMVESEWIB-MRXNPFEDSA-N -1 3 334.351 2.278 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)N[C@H](C)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588497021 1348910717 /nfs/dbraw/zinc/91/07/17/1348910717.db2.gz XIYAVJQQQLKXQA-DIFFPNOSSA-N -1 3 343.435 2.089 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588497021 1348910721 /nfs/dbraw/zinc/91/07/21/1348910721.db2.gz XIYAVJQQQLKXQA-DIFFPNOSSA-N -1 3 343.435 2.089 20 30 EEEDHM C=CC[C@H]1CCCN(C(=O)COc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588560644 1348916822 /nfs/dbraw/zinc/91/68/22/1348916822.db2.gz TVYOZTNHNIUYLE-ZDUSSCGKSA-N -1 3 327.388 2.060 20 30 EEEDHM C=CC[C@H]1CCCN(C(=O)COc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588560644 1348916826 /nfs/dbraw/zinc/91/68/26/1348916826.db2.gz TVYOZTNHNIUYLE-ZDUSSCGKSA-N -1 3 327.388 2.060 20 30 EEEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588560486 1348917007 /nfs/dbraw/zinc/91/70/07/1348917007.db2.gz RNAWMIHRQUGJGG-DAXOMENPSA-N -1 3 341.415 2.151 20 30 EEEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588560486 1348917009 /nfs/dbraw/zinc/91/70/09/1348917009.db2.gz RNAWMIHRQUGJGG-DAXOMENPSA-N -1 3 341.415 2.151 20 30 EEEDHM C=CC[C@H]1CCN(C(=O)[C@H](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588565229 1348917584 /nfs/dbraw/zinc/91/75/84/1348917584.db2.gz XDXKQIUANCHRQP-HIFRSBDPSA-N -1 3 325.416 2.470 20 30 EEEDHM C=CC[C@H]1CCN(C(=O)[C@H](C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588565229 1348917590 /nfs/dbraw/zinc/91/75/90/1348917590.db2.gz XDXKQIUANCHRQP-HIFRSBDPSA-N -1 3 325.416 2.470 20 30 EEEDHM C=CC[C@H]1CCN1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC001588564936 1348917890 /nfs/dbraw/zinc/91/78/90/1348917890.db2.gz VDJCXWWIJOPREE-NSHDSACASA-N -1 3 332.795 2.109 20 30 EEEDHM C=CC[C@H]1CCN1CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC001588564936 1348917894 /nfs/dbraw/zinc/91/78/94/1348917894.db2.gz VDJCXWWIJOPREE-NSHDSACASA-N -1 3 332.795 2.109 20 30 EEEDHM C=CCC[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588582155 1348920299 /nfs/dbraw/zinc/92/02/99/1348920299.db2.gz HHDRMRGSPVJQJZ-ZDUSSCGKSA-N -1 3 327.388 2.446 20 30 EEEDHM C=CCC[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588582155 1348920304 /nfs/dbraw/zinc/92/03/04/1348920304.db2.gz HHDRMRGSPVJQJZ-ZDUSSCGKSA-N -1 3 327.388 2.446 20 30 EEEDHM C=CCN(CC=C)C(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001588631408 1348924006 /nfs/dbraw/zinc/92/40/06/1348924006.db2.gz DLSSKPYCGVENCQ-UHFFFAOYSA-N -1 3 327.363 2.238 20 30 EEEDHM C=CCN(CC=C)C(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001588631408 1348924007 /nfs/dbraw/zinc/92/40/07/1348924007.db2.gz DLSSKPYCGVENCQ-UHFFFAOYSA-N -1 3 327.363 2.238 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCC[C@@H]1OC ZINC001588638937 1348925374 /nfs/dbraw/zinc/92/53/74/1348925374.db2.gz KATAHMLLONMROW-CVEARBPZSA-N -1 3 341.415 2.196 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCC[C@@H]1OC ZINC001588638937 1348925377 /nfs/dbraw/zinc/92/53/77/1348925377.db2.gz KATAHMLLONMROW-CVEARBPZSA-N -1 3 341.415 2.196 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCC=CO1 ZINC001588638726 1348925392 /nfs/dbraw/zinc/92/53/92/1348925392.db2.gz IIWYKXNJHSAODJ-HNNXBMFYSA-N -1 3 325.372 2.074 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCC=CO1 ZINC001588638726 1348925395 /nfs/dbraw/zinc/92/53/95/1348925395.db2.gz IIWYKXNJHSAODJ-HNNXBMFYSA-N -1 3 325.372 2.074 20 30 EEEDHM CC(C)C#CC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1 ZINC001589394208 1348989235 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C#CC[C@H]1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001602698942 1350575131 /nfs/dbraw/zinc/57/51/31/1350575131.db2.gz BABHZEIYXYQEHJ-NSHDSACASA-N -1 3 344.806 2.075 20 30 EEEDHM C#CC[C@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001602698942 1350575132 /nfs/dbraw/zinc/57/51/32/1350575132.db2.gz BABHZEIYXYQEHJ-NSHDSACASA-N -1 3 344.806 2.075 20 30 EEEDHM C#CCC1(O)CCN(CCOc2ccc(/C=C/C(=O)[O-])cc2)CC1 ZINC001602700440 1350575621 /nfs/dbraw/zinc/57/56/21/1350575621.db2.gz YYZDJAGFWRULHS-VMPITWQZSA-N -1 3 329.396 2.013 20 30 EEEDHM C#CCOc1ccccc1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001602732870 1350578277 /nfs/dbraw/zinc/57/82/77/1350578277.db2.gz JRMRZPHZLQOSEX-UHFFFAOYSA-N -1 3 330.351 2.362 20 30 EEEDHM C#CCOc1ccccc1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001602732870 1350578280 /nfs/dbraw/zinc/57/82/80/1350578280.db2.gz JRMRZPHZLQOSEX-UHFFFAOYSA-N -1 3 330.351 2.362 20 30 EEEDHM C=C(C)[C@H](C)OC(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001602753072 1350581729 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CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cnnn1CC ZINC000815907861 1368070491 /nfs/dbraw/zinc/07/04/91/1368070491.db2.gz MRPRQJZYGBHEIU-AWEZNQCLSA-N -1 3 339.399 2.384 20 30 EEEDHM Cc1oncc1S(=O)(=O)[N-][C@@](C)(C#N)c1ccccc1Cl ZINC001187400313 1368241563 /nfs/dbraw/zinc/24/15/63/1368241563.db2.gz CXKJTZZQSYUARF-ZDUSSCGKSA-N -1 3 325.777 2.354 20 30 EEEDHM CC(C)OC(=O)c1ncccc1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001194031714 1368486478 /nfs/dbraw/zinc/48/64/78/1368486478.db2.gz MVFBYMRDWIZITM-UHFFFAOYSA-N -1 3 325.324 2.476 20 30 EEEDHM N#Cc1cnc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001199667592 1368692728 /nfs/dbraw/zinc/69/27/28/1368692728.db2.gz JPHHXYNILHRVEM-UHFFFAOYSA-N -1 3 339.742 2.185 20 30 EEEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000108250452 1369197771 /nfs/dbraw/zinc/19/77/71/1369197771.db2.gz WJHKUCBONLLRJA-UHFFFAOYSA-N -1 3 344.392 2.458 20 30 EEEDHM CCn1cc(CCOC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cn1 ZINC000781665530 1371240486 /nfs/dbraw/zinc/24/04/86/1371240486.db2.gz FYBPDHOHWOJCIL-UHFFFAOYSA-N -1 3 342.399 2.211 20 30 EEEDHM C=C(C)CN1CCC(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)CC1 ZINC001341352128 1372932388 /nfs/dbraw/zinc/93/23/88/1372932388.db2.gz FPOADWPYTVINNY-OAHLLOKOSA-N -1 3 337.464 2.313 20 30 EEEDHM C=C(Cl)CN[C@@H](CNC(=O)c1ccc2oc(=O)nc-2[n-]1)C(C)C ZINC001378999332 1380366950 /nfs/dbraw/zinc/36/69/50/1380366950.db2.gz MRQDGAHTWJWUNE-NSHDSACASA-N -1 3 338.795 2.025 20 30 EEEDHM N#CCc1cccc(NC(=O)c2c[nH]c3cccc(-c4nnn[n-]4)c23)n1 ZINC001592679890 1404713537 /nfs/dbraw/zinc/71/35/37/1404713537.db2.gz FZXVBQSKGWJBJW-UHFFFAOYSA-N -1 3 344.338 2.061 20 30 EEEDHM N#CCc1cccc(NC(=O)c2c[nH]c3cccc(-c4nn[n-]n4)c23)n1 ZINC001592679890 1404713542 /nfs/dbraw/zinc/71/35/42/1404713542.db2.gz FZXVBQSKGWJBJW-UHFFFAOYSA-N -1 3 344.338 2.061 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H](CCO)c1ccccc1 ZINC001592698844 1404715263 /nfs/dbraw/zinc/71/52/63/1404715263.db2.gz JULULAFXVOZBMR-OAHLLOKOSA-N -1 3 334.383 2.316 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@H](CCO)c1ccccc1 ZINC001592698844 1404715264 /nfs/dbraw/zinc/71/52/64/1404715264.db2.gz JULULAFXVOZBMR-OAHLLOKOSA-N -1 3 334.383 2.316 20 30 EEEDHM C=CCOCC(=O)NC[C@@H]1CCCCCN1C(=O)c1ccccc1[O-] ZINC001756119224 1408150343 /nfs/dbraw/zinc/15/03/43/1408150343.db2.gz OZXMFOMLZSYPEU-HNNXBMFYSA-N -1 3 346.427 2.096 20 30 EEEDHM C=CCCCC(=O)NC[C@@H]1CCCCCN1C(=O)c1cnc[n-]c1=O ZINC001756125040 1408157111 /nfs/dbraw/zinc/15/71/11/1408157111.db2.gz BAVVOWQMZNRQHH-AWEZNQCLSA-N -1 3 346.431 2.040 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N(C)C[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001756479736 1408752754 /nfs/dbraw/zinc/75/27/54/1408752754.db2.gz OZYVIOQIINIJKN-GFCCVEGCSA-N -1 3 343.431 2.137 20 30 EEEDHM CC#CCCCC(=O)N(C)C[C@H]1CCN1C(=O)c1ccccc1[O-] ZINC001757299295 1409642799 /nfs/dbraw/zinc/64/27/99/1409642799.db2.gz IHSDEJCHVPUKFN-OAHLLOKOSA-N -1 3 328.412 2.259 20 30 EEEDHM CC(C)N(CCN(C)c1nccnc1C#N)C(=O)c1ccccc1[O-] ZINC001125445743 758227976 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CCn1ncn([N-]C(=O)c2ccccc2Oc2ccccc2C#N)c1=O ZINC000816735837 784213043 /nfs/dbraw/zinc/21/30/43/784213043.db2.gz XOABCIVQUHAHGT-UHFFFAOYSA-N -1 3 349.350 2.113 20 30 EEEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccccc1NCc1ccco1 ZINC000816755699 784241286 /nfs/dbraw/zinc/24/12/86/784241286.db2.gz HDZFZLUHWNYWJE-OAHLLOKOSA-N -1 3 329.356 2.002 20 30 EEEDHM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816757871 784247275 /nfs/dbraw/zinc/24/72/75/784247275.db2.gz CRAGZVZXHAJCQY-SWLSCSKDSA-N -1 3 334.416 2.248 20 30 EEEDHM COC(=O)c1cnc([C@H](C)/N=C/c2c([O-])c(C)ncc2CO)s1 ZINC000818994039 785357404 /nfs/dbraw/zinc/35/74/04/785357404.db2.gz BIVYZJFOXZZNDY-WCSOITLTSA-N -1 3 335.385 2.011 20 30 EEEDHM C=CCN(CC(=O)[O-])C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000908809885 785741543 /nfs/dbraw/zinc/74/15/43/785741543.db2.gz BSAUCUHJFFORCN-QGZVFWFLSA-N -1 3 345.443 2.106 20 30 EEEDHM C=CCCOCCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000823899396 787971851 /nfs/dbraw/zinc/97/18/51/787971851.db2.gz 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EEEDHM N#Cc1ccc(NC(=O)CNC(=O)c2ccc([O-])cc2)c2cccnc12 ZINC001182972758 801427182 /nfs/dbraw/zinc/42/71/82/801427182.db2.gz DNYZJGJFZMABBE-UHFFFAOYSA-N -1 3 346.346 2.181 20 30 EEEDHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](C)CC#N)c(C)c1Cl ZINC000788613825 807607436 /nfs/dbraw/zinc/60/74/36/807607436.db2.gz ZBWXVYZZNDHXPB-LURJTMIESA-N -1 3 336.822 2.077 20 30 EEEDHM Cc1nsc(N(C)[C@@H](C)CNC(=O)c2ccccc2[O-])c1C#N ZINC001113496195 809082568 /nfs/dbraw/zinc/08/25/68/809082568.db2.gz IWRLTTQMZZGHFF-JTQLQIEISA-N -1 3 330.413 2.284 20 30 EEEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cn(C)nn2)cc1 ZINC000808980031 812923606 /nfs/dbraw/zinc/92/36/06/812923606.db2.gz RNDGSXRXZVIBGP-FZMZJTMJSA-N -1 3 325.372 2.290 20 30 EEEDHM C#CC[C@@H](NC(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573279736 946648958 /nfs/dbraw/zinc/64/89/58/946648958.db2.gz KINORWFHLQTCFL-OAHLLOKOSA-N -1 3 347.382 2.456 20 30 EEEDHM C#CC[C@@H](NC(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573279736 946648961 /nfs/dbraw/zinc/64/89/61/946648961.db2.gz KINORWFHLQTCFL-OAHLLOKOSA-N -1 3 347.382 2.456 20 30 EEEDHM C=C(C)CCC(=O)NC/C=C/CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573294193 946979267 /nfs/dbraw/zinc/97/92/67/946979267.db2.gz XTLQBSUVBLUZLF-ONEGZZNKSA-N -1 3 344.394 2.446 20 30 EEEDHM C=C(C)CCC(=O)NC/C=C/CNc1cccc(F)c1-c1nn[n-]n1 ZINC001573294193 946979276 /nfs/dbraw/zinc/97/92/76/946979276.db2.gz XTLQBSUVBLUZLF-ONEGZZNKSA-N -1 3 344.394 2.446 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1[C@@H](C)[C@H]1OCC ZINC001573340948 947523590 /nfs/dbraw/zinc/52/35/90/947523590.db2.gz DVSAALOUGCBLKA-DAXOMENPSA-N -1 3 341.415 2.052 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1[C@@H](C)[C@H]1OCC ZINC001573340948 947523598 /nfs/dbraw/zinc/52/35/98/947523598.db2.gz DVSAALOUGCBLKA-DAXOMENPSA-N -1 3 341.415 2.052 20 30 EEEDHM C#CC[C@H](NCc1nc2cc(C(F)(F)F)ccc2n1C)C(=O)[O-] ZINC001588423515 983452948 /nfs/dbraw/zinc/45/29/48/983452948.db2.gz JOULSISZABRHNV-JTQLQIEISA-N -1 3 325.290 2.158 20 30 EEEDHM CCN(CC)c1ccc(/C=[NH+]/C[C@H](C(=O)[O-])[C@@H]2CCOC2)c([O-])c1 ZINC001596289112 983709141 /nfs/dbraw/zinc/70/91/41/983709141.db2.gz FENBYGBSNKHLCD-QNVQTRSSSA-N -1 3 334.416 2.395 20 30 EEEDHM C=C[C@@H](C(=O)[O-])N1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC001588662935 983792655 /nfs/dbraw/zinc/79/26/55/983792655.db2.gz ITNTUGDCOTWJSM-IRXDYDNUSA-N -1 3 333.432 2.014 20 30 EEEDHM C=CC[C@@H](CO)CNCc1ccc(C(=O)[O-])cc1Br ZINC001588737659 984030794 /nfs/dbraw/zinc/03/07/94/984030794.db2.gz QEYJZMUUFWHGAL-SNVBAGLBSA-N -1 3 328.206 2.422 20 30 EEEDHM C=CCCn1cc(CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])nn1 ZINC001329354476 1126174411 /nfs/dbraw/zinc/17/44/11/1126174411.db2.gz NCVVVVJESQSRFK-KRWDZBQOSA-N -1 3 339.399 2.121 20 30 EEEDHM C=C(Cl)CN(CC)CCNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001442693456 1097062883 /nfs/dbraw/zinc/06/28/83/1097062883.db2.gz SBOSHYBCWRGNDF-UHFFFAOYSA-N -1 3 340.855 2.418 20 30 EEEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC001472580810 1110559639 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C=CCC1(C(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)CCOCC1 ZINC001588556337 1348915653 /nfs/dbraw/zinc/91/56/53/1348915653.db2.gz JJEHJASGZKMJBM-UHFFFAOYSA-N -1 3 331.351 2.317 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](CCC)OC ZINC001588640000 1348925957 /nfs/dbraw/zinc/92/59/57/1348925957.db2.gz YRYDPSHNXALHSY-OAHLLOKOSA-N -1 3 329.404 2.196 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](CCC)OC ZINC001588640000 1348925959 /nfs/dbraw/zinc/92/59/59/1348925959.db2.gz YRYDPSHNXALHSY-OAHLLOKOSA-N -1 3 329.404 2.196 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)C1CC1 ZINC001588640073 1348926234 /nfs/dbraw/zinc/92/62/34/1348926234.db2.gz JIMYFDIGQBANJM-LBPRGKRZSA-N -1 3 326.404 2.363 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)C1CC1 ZINC001588640073 1348926236 /nfs/dbraw/zinc/92/62/36/1348926236.db2.gz JIMYFDIGQBANJM-LBPRGKRZSA-N -1 3 326.404 2.363 20 30 EEEDHM C=CCOCCCNc1ncc(-c2nnn[n-]2)cc1Br ZINC001588683584 1348929233 /nfs/dbraw/zinc/92/92/33/1348929233.db2.gz ZKKAGLVMKRGSCB-UHFFFAOYSA-N -1 3 339.197 2.029 20 30 EEEDHM C=CCOCCCNc1ncc(-c2nn[n-]n2)cc1Br ZINC001588683584 1348929234 /nfs/dbraw/zinc/92/92/34/1348929234.db2.gz ZKKAGLVMKRGSCB-UHFFFAOYSA-N -1 3 339.197 2.029 20 30 EEEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cn[nH]c1 ZINC001588777161 1348935243 /nfs/dbraw/zinc/93/52/43/1348935243.db2.gz HGYFEFKRNISKRA-UHFFFAOYSA-N -1 3 336.281 2.445 20 30 EEEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cn[nH]c1 ZINC001588777161 1348935245 /nfs/dbraw/zinc/93/52/45/1348935245.db2.gz HGYFEFKRNISKRA-UHFFFAOYSA-N -1 3 336.281 2.445 20 30 EEEDHM CC(=O)CC(C)(C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001588787004 1348937444 /nfs/dbraw/zinc/93/74/44/1348937444.db2.gz SBAYRNZJKNLUNE-UHFFFAOYSA-N -1 3 326.360 2.072 20 30 EEEDHM CC(=O)CC(C)(C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001588787004 1348937447 /nfs/dbraw/zinc/93/74/47/1348937447.db2.gz SBAYRNZJKNLUNE-UHFFFAOYSA-N -1 3 326.360 2.072 20 30 EEEDHM CC(C)(C#N)CC(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001589034128 1348954130 /nfs/dbraw/zinc/95/41/30/1348954130.db2.gz RFLKHRZHYCMEDQ-UHFFFAOYSA-N -1 3 329.360 2.119 20 30 EEEDHM CC(C)(C#N)CC(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001589034128 1348954131 /nfs/dbraw/zinc/95/41/31/1348954131.db2.gz RFLKHRZHYCMEDQ-UHFFFAOYSA-N -1 3 329.360 2.119 20 30 EEEDHM CC(C)(C#N)c1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001589036126 1348954368 /nfs/dbraw/zinc/95/43/68/1348954368.db2.gz QXQGMULJDFBKFV-UHFFFAOYSA-N -1 3 348.366 2.420 20 30 EEEDHM CC(C)(C#N)c1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001589036126 1348954370 /nfs/dbraw/zinc/95/43/70/1348954370.db2.gz QXQGMULJDFBKFV-UHFFFAOYSA-N -1 3 348.366 2.420 20 30 EEEDHM CCCCCCCC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001590592619 1349375961 /nfs/dbraw/zinc/37/59/61/1349375961.db2.gz ATLGTELVLZJWQY-CQSZACIVSA-N -1 3 346.435 2.103 20 30 EEEDHM CCCCCCCC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001590592619 1349375966 /nfs/dbraw/zinc/37/59/66/1349375966.db2.gz ATLGTELVLZJWQY-CQSZACIVSA-N -1 3 346.435 2.103 20 30 EEEDHM Cn1c(C(=O)N(c2cccc(C#N)c2)C2CCC2)ccc1-c1nnn[n-]1 ZINC001592549481 1349655389 /nfs/dbraw/zinc/65/53/89/1349655389.db2.gz DPAFMSVVTHPPMY-UHFFFAOYSA-N -1 3 347.382 2.276 20 30 EEEDHM Cn1c(C(=O)N(c2cccc(C#N)c2)C2CCC2)ccc1-c1nn[n-]n1 ZINC001592549481 1349655392 /nfs/dbraw/zinc/65/53/92/1349655392.db2.gz DPAFMSVVTHPPMY-UHFFFAOYSA-N -1 3 347.382 2.276 20 30 EEEDHM C#C[C@@H](NC(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCC1)C(C)C ZINC001602689793 1350573671 /nfs/dbraw/zinc/57/36/71/1350573671.db2.gz VXYVTLSBTHWZMF-OAHLLOKOSA-N -1 3 338.415 2.203 20 30 EEEDHM C#C[C@@H](NC(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCC1)C(C)C ZINC001602689793 1350573675 /nfs/dbraw/zinc/57/36/75/1350573675.db2.gz VXYVTLSBTHWZMF-OAHLLOKOSA-N -1 3 338.415 2.203 20 30 EEEDHM C#C[C@@H](NC(=O)c1cnccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC001602688195 1350573752 /nfs/dbraw/zinc/57/37/52/1350573752.db2.gz HPVISIOMKHHFQR-CQSZACIVSA-N -1 3 338.758 2.019 20 30 EEEDHM C#C[C@@H](NC(=O)c1cnccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC001602688195 1350573755 /nfs/dbraw/zinc/57/37/55/1350573755.db2.gz HPVISIOMKHHFQR-CQSZACIVSA-N -1 3 338.758 2.019 20 30 EEEDHM C=CC[C@H](CC)NC(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001602811851 1350589579 /nfs/dbraw/zinc/58/95/79/1350589579.db2.gz QSLBANLNECSIAC-VIFPVBQESA-N -1 3 340.309 2.365 20 30 EEEDHM C=CCC1(C(=O)NCCNc2cccc(F)c2-c2nnn[n-]2)CCC1 ZINC001602818035 1350590547 /nfs/dbraw/zinc/59/05/47/1350590547.db2.gz ZBVMDDVLPULPHQ-UHFFFAOYSA-N -1 3 344.394 2.280 20 30 EEEDHM C=CCC1(C(=O)NCCNc2cccc(F)c2-c2nn[n-]n2)CCC1 ZINC001602818035 1350590550 /nfs/dbraw/zinc/59/05/50/1350590550.db2.gz ZBVMDDVLPULPHQ-UHFFFAOYSA-N -1 3 344.394 2.280 20 30 EEEDHM C=CCCCC(=O)NC/C=C\CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001602834346 1350594003 /nfs/dbraw/zinc/59/40/03/1350594003.db2.gz QENUHXVGAJPJEC-SREVYHEPSA-N -1 3 341.419 2.011 20 30 EEEDHM C=CCCCC(=O)NC/C=C\CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001602834346 1350594006 /nfs/dbraw/zinc/59/40/06/1350594006.db2.gz QENUHXVGAJPJEC-SREVYHEPSA-N -1 3 341.419 2.011 20 30 EEEDHM C[C@@H]1CCCCN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001603889387 1350794828 /nfs/dbraw/zinc/79/48/28/1350794828.db2.gz BLCDAYQRRUXTNJ-CZUORRHYSA-N -1 3 338.415 2.198 20 30 EEEDHM CN(C(=O)c1ccc(C#N)c(Cl)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC001604659151 1350979466 /nfs/dbraw/zinc/97/94/66/1350979466.db2.gz USMCQNGWQOBEEG-UHFFFAOYSA-N -1 3 339.746 2.063 20 30 EEEDHM CN(C(=O)c1ccc(C#N)c(Cl)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC001604659151 1350979469 /nfs/dbraw/zinc/97/94/69/1350979469.db2.gz USMCQNGWQOBEEG-UHFFFAOYSA-N -1 3 339.746 2.063 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)N(CCC#N)CC(C)(C)C ZINC001605158591 1351091065 /nfs/dbraw/zinc/09/10/65/1351091065.db2.gz AJWLTAZETAJANZ-UHFFFAOYSA-N -1 3 342.403 2.277 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)N(CCC#N)CC(C)(C)C ZINC001605158591 1351091069 /nfs/dbraw/zinc/09/10/69/1351091069.db2.gz AJWLTAZETAJANZ-UHFFFAOYSA-N -1 3 342.403 2.277 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1NC(=O)NCC(C)(C)CCC#N ZINC001605175231 1351095597 /nfs/dbraw/zinc/09/55/97/1351095597.db2.gz LITMRLOETBOMIB-UHFFFAOYSA-N -1 3 343.391 2.327 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1NC(=O)NCC(C)(C)CCC#N ZINC001605175231 1351095599 /nfs/dbraw/zinc/09/55/99/1351095599.db2.gz LITMRLOETBOMIB-UHFFFAOYSA-N -1 3 343.391 2.327 20 30 EEEDHM COc1cc(C#N)cc(OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001605191340 1351099543 /nfs/dbraw/zinc/09/95/43/1351099543.db2.gz NVTQXLBDNZAMMT-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM COc1cc(C#N)cc(OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001605191340 1351099546 /nfs/dbraw/zinc/09/95/46/1351099546.db2.gz NVTQXLBDNZAMMT-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM COc1cc(CN=Nc2nncc3ccccc32)ccc1-c1nnn[n-]1 ZINC001605206001 1351103149 /nfs/dbraw/zinc/10/31/49/1351103149.db2.gz VHCOBQRSXQZGHC-UHFFFAOYSA-N -1 3 346.354 2.265 20 30 EEEDHM COc1cc(CN=Nc2nncc3ccccc32)ccc1-c1nn[n-]n1 ZINC001605206001 1351103151 /nfs/dbraw/zinc/10/31/51/1351103151.db2.gz VHCOBQRSXQZGHC-UHFFFAOYSA-N -1 3 346.354 2.265 20 30 EEEDHM Cc1cncc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC001605981338 1351261289 /nfs/dbraw/zinc/26/12/89/1351261289.db2.gz YVLMVCFTOMIKCK-ONEGZZNKSA-N -1 3 331.339 2.114 20 30 EEEDHM Cc1cncc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC001605981338 1351261290 /nfs/dbraw/zinc/26/12/90/1351261290.db2.gz YVLMVCFTOMIKCK-ONEGZZNKSA-N -1 3 331.339 2.114 20 30 EEEDHM N#CCOc1cccc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC001606351609 1351296677 /nfs/dbraw/zinc/29/66/77/1351296677.db2.gz XIFGIPRHJQBNAI-CMDGGOBGSA-N -1 3 347.334 2.388 20 30 EEEDHM N#CCOc1cccc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC001606351609 1351296678 /nfs/dbraw/zinc/29/66/78/1351296678.db2.gz XIFGIPRHJQBNAI-CMDGGOBGSA-N -1 3 347.334 2.388 20 30 EEEDHM N#Cc1cc([N+](=O)[O-])ccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC001606363505 1351297271 /nfs/dbraw/zinc/29/72/71/1351297271.db2.gz IVRDAKNLSJEHDA-UHFFFAOYSA-N -1 3 327.329 2.320 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC1(O)CCC(F)(F)CC1 ZINC001606379663 1351298581 /nfs/dbraw/zinc/29/85/81/1351298581.db2.gz HRFGEOYDCBIUJU-UHFFFAOYSA-N -1 3 334.330 2.091 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC1(O)CCC(F)(F)CC1 ZINC001606379663 1351298584 /nfs/dbraw/zinc/29/85/84/1351298584.db2.gz HRFGEOYDCBIUJU-UHFFFAOYSA-N -1 3 334.330 2.091 20 30 EEEDHM Cc1ccc(N(CCC#N)C(=O)CN2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1C ZINC001607791387 1351559295 /nfs/dbraw/zinc/55/92/95/1351559295.db2.gz AZDCDSFRPUTSPA-DOTOQJQBSA-N -1 3 343.427 2.345 20 30 EEEDHM CCc1nnc([C@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)o1 ZINC001649797495 1353602055 /nfs/dbraw/zinc/60/20/55/1353602055.db2.gz LPERTZSONPCOFJ-LBPRGKRZSA-N -1 3 348.428 2.458 20 30 EEEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cnnn1CC ZINC000815907862 1368070621 /nfs/dbraw/zinc/07/06/21/1368070621.db2.gz MRPRQJZYGBHEIU-CQSZACIVSA-N -1 3 339.399 2.384 20 30 EEEDHM C/C(=C/C(=O)OC(C)C)[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196698803 1368604213 /nfs/dbraw/zinc/60/42/13/1368604213.db2.gz XNVHDINWWWTEBN-POHAHGRESA-N -1 3 342.804 2.345 20 30 EEEDHM N#Cc1cc(NC(=O)c2ccnc(OCC(F)(F)F)n2)ccc1[O-] ZINC001199184159 1368674498 /nfs/dbraw/zinc/67/44/98/1368674498.db2.gz KUYJPWDBBXXIGP-UHFFFAOYSA-N -1 3 338.245 2.247 20 30 EEEDHM N#CCc1ccccc1C(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC001592680913 1404714647 /nfs/dbraw/zinc/71/46/47/1404714647.db2.gz NYSZKSXTBTYTHR-UHFFFAOYSA-N -1 3 349.350 2.169 20 30 EEEDHM N#CCc1ccccc1C(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC001592680913 1404714649 /nfs/dbraw/zinc/71/46/49/1404714649.db2.gz NYSZKSXTBTYTHR-UHFFFAOYSA-N -1 3 349.350 2.169 20 30 EEEDHM N#Cc1c(Cl)nsc1N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001592684355 1404714877 /nfs/dbraw/zinc/71/48/77/1404714877.db2.gz MQDBVAKNYZPZGV-UHFFFAOYSA-N -1 3 329.776 2.368 20 30 EEEDHM N#Cc1c(Cl)nsc1N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001592684355 1404714879 /nfs/dbraw/zinc/71/48/79/1404714879.db2.gz MQDBVAKNYZPZGV-UHFFFAOYSA-N -1 3 329.776 2.368 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001592699281 1404717086 /nfs/dbraw/zinc/71/70/86/1404717086.db2.gz 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CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cc(O)ccc1O ZINC000823953588 608534810 /nfs/dbraw/zinc/53/48/10/608534810.db2.gz ICPBLEXRKXHCSR-UHFFFAOYSA-N -1 3 345.750 2.162 20 30 EEEDHM O=c1ccc2c([nH]1)CCC(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2=O ZINC000826475811 608881556 /nfs/dbraw/zinc/88/15/56/608881556.db2.gz RHZSCCKVMBTGMD-YFHOEESVSA-N -1 3 337.314 2.319 20 30 EEEDHM O=c1ccc2c([nH]1)CCC(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2=O ZINC000826475811 608881557 /nfs/dbraw/zinc/88/15/57/608881557.db2.gz RHZSCCKVMBTGMD-YFHOEESVSA-N -1 3 337.314 2.319 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@]1(C)CCCOC1 ZINC000823909782 609280062 /nfs/dbraw/zinc/28/00/62/609280062.db2.gz QXUFJQZTMSZXBK-SFHVURJKSA-N -1 3 341.415 2.198 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@]1(C)CCCOC1 ZINC000823909782 609280064 /nfs/dbraw/zinc/28/00/64/609280064.db2.gz QXUFJQZTMSZXBK-SFHVURJKSA-N -1 3 341.415 2.198 20 30 EEEDHM N#Cc1ccc(NC(=O)c2cccc3[nH]ccc32)cc1-c1nnn[n-]1 ZINC000826385430 609384443 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/nfs/dbraw/zinc/58/57/79/1350585779.db2.gz ZAGCDYGAGFISFY-UHFFFAOYSA-N -1 3 326.404 2.180 20 30 EEEDHM C=CC(C)(C)C(=O)N1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001602781268 1350585782 /nfs/dbraw/zinc/58/57/82/1350585782.db2.gz ZAGCDYGAGFISFY-UHFFFAOYSA-N -1 3 326.404 2.180 20 30 EEEDHM COc1ccc(C#N)cc1NCc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001605255095 1351117447 /nfs/dbraw/zinc/11/74/47/1351117447.db2.gz DPGRZQHQCAUVJH-UHFFFAOYSA-N -1 3 336.355 2.368 20 30 EEEDHM COc1ccc(C#N)cc1NCc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001605255095 1351117450 /nfs/dbraw/zinc/11/74/50/1351117450.db2.gz DPGRZQHQCAUVJH-UHFFFAOYSA-N -1 3 336.355 2.368 20 30 EEEDHM CCn1nccc1C[N-]S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC001309698123 1331639007 /nfs/dbraw/zinc/63/90/07/1331639007.db2.gz BMBUOHFXNWXFGS-UHFFFAOYSA-N -1 3 346.437 2.468 20 30 EEEDHM C#CCOc1ccccc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609021719 1351816815 /nfs/dbraw/zinc/81/68/15/1351816815.db2.gz XSJUSDSYAQJFJO-UHFFFAOYSA-N -1 3 333.351 2.060 20 30 EEEDHM C#CCOc1ccccc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609021719 1351816818 /nfs/dbraw/zinc/81/68/18/1351816818.db2.gz XSJUSDSYAQJFJO-UHFFFAOYSA-N -1 3 333.351 2.060 20 30 EEEDHM C=CCCOCC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609054865 1351825640 /nfs/dbraw/zinc/82/56/40/1351825640.db2.gz JNWXIWLYZONIFT-UHFFFAOYSA-N -1 3 329.404 2.198 20 30 EEEDHM C=CCCOCC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609054865 1351825643 /nfs/dbraw/zinc/82/56/43/1351825643.db2.gz JNWXIWLYZONIFT-UHFFFAOYSA-N -1 3 329.404 2.198 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccncc1 ZINC001609056652 1351826350 /nfs/dbraw/zinc/82/63/50/1351826350.db2.gz BZECJTSZZBCPIR-UHFFFAOYSA-N -1 3 349.398 2.160 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccncc1 ZINC001609056652 1351826351 /nfs/dbraw/zinc/82/63/51/1351826351.db2.gz BZECJTSZZBCPIR-UHFFFAOYSA-N -1 3 349.398 2.160 20 30 EEEDHM CCCCC1N=NC(=S)N1N=Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001609211539 1351894727 /nfs/dbraw/zinc/89/47/27/1351894727.db2.gz MBYOEMHRLUGVKK-UHFFFAOYSA-N -1 3 342.432 2.280 20 30 EEEDHM CCCCC1N=NC(=S)N1N=Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001609211539 1351894729 /nfs/dbraw/zinc/89/47/29/1351894729.db2.gz MBYOEMHRLUGVKK-UHFFFAOYSA-N -1 3 342.432 2.280 20 30 EEEDHM COc1cc(C#N)ccc1NC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001609339764 1351937982 /nfs/dbraw/zinc/93/79/82/1351937982.db2.gz KBNMJVYDWLRRIP-UHFFFAOYSA-N -1 3 334.339 2.308 20 30 EEEDHM COc1cc(C#N)ccc1NC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001609339764 1351937983 /nfs/dbraw/zinc/93/79/83/1351937983.db2.gz KBNMJVYDWLRRIP-UHFFFAOYSA-N -1 3 334.339 2.308 20 30 EEEDHM COc1ccc(CN=Nc2nccnc2C(C)C)cc1-c1nnn[n-]1 ZINC001609353982 1351943002 /nfs/dbraw/zinc/94/30/02/1351943002.db2.gz DNFNZGVJDVFKRK-UHFFFAOYSA-N -1 3 338.375 2.235 20 30 EEEDHM COc1ccc(CN=Nc2nccnc2C(C)C)cc1-c1nn[n-]n1 ZINC001609353982 1351943005 /nfs/dbraw/zinc/94/30/05/1351943005.db2.gz DNFNZGVJDVFKRK-UHFFFAOYSA-N -1 3 338.375 2.235 20 30 EEEDHM NC(=NOCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001609501075 1352000883 /nfs/dbraw/zinc/00/08/83/1352000883.db2.gz ACSPGFJRQZPXGA-UHFFFAOYSA-N -1 3 346.753 2.496 20 30 EEEDHM NC(=NOCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001609501075 1352000886 /nfs/dbraw/zinc/00/08/86/1352000886.db2.gz ACSPGFJRQZPXGA-UHFFFAOYSA-N -1 3 346.753 2.496 20 30 EEEDHM c1ccc2[nH]c(=NN=C3CCCc4cc(-c5nnn[n-]5)cnc43)[nH]c2c1 ZINC001609617673 1352041031 /nfs/dbraw/zinc/04/10/31/1352041031.db2.gz LGJFCTGIEFAKEP-UHFFFAOYSA-N -1 3 345.370 2.291 20 30 EEEDHM c1ccc2[nH]c(=NN=C3CCCc4cc(-c5nn[n-]n5)cnc43)[nH]c2c1 ZINC001609617673 1352041033 /nfs/dbraw/zinc/04/10/33/1352041033.db2.gz LGJFCTGIEFAKEP-UHFFFAOYSA-N -1 3 345.370 2.291 20 30 EEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001339658125 1337046606 /nfs/dbraw/zinc/04/66/06/1337046606.db2.gz QNKMPCCSFQVGOL-LBPRGKRZSA-N -1 3 333.392 2.076 20 30 EEEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@@H]1C1CCC1 ZINC001340458858 1337189293 /nfs/dbraw/zinc/18/92/93/1337189293.db2.gz GCLCEEPDFZNVAA-CQSZACIVSA-N -1 3 326.404 2.396 20 30 EEEDHM N#CC1(C(=O)[O-])CCN(CCC(=O)N2CCCc3ccccc32)CC1 ZINC001610617912 1352254697 /nfs/dbraw/zinc/25/46/97/1352254697.db2.gz PQXGTAHJOUSLBH-UHFFFAOYSA-N -1 3 341.411 2.046 20 30 EEEDHM C[C@H](C#N)C(=O)N(C)CCC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001433052937 1341480606 /nfs/dbraw/zinc/48/06/06/1341480606.db2.gz VPNRQBLOURINDE-CQSZACIVSA-N -1 3 343.427 2.253 20 30 EEEDHM CC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1noc(C)n1 ZINC001435427900 1341987547 /nfs/dbraw/zinc/98/75/47/1341987547.db2.gz XJZANHIXPSHFTO-CQSZACIVSA-N -1 3 343.387 2.167 20 30 EEEDHM C[C@@H](NC(=O)Nc1ccc(C#N)cn1)c1cccc(-c2nnn[n-]2)c1 ZINC001575305788 1343771300 /nfs/dbraw/zinc/77/13/00/1343771300.db2.gz ZUUGXYYRQDQTAV-SNVBAGLBSA-N -1 3 334.343 2.016 20 30 EEEDHM C[C@@H](NC(=O)Nc1ccc(C#N)cn1)c1cccc(-c2nn[n-]n2)c1 ZINC001575305788 1343771303 /nfs/dbraw/zinc/77/13/03/1343771303.db2.gz ZUUGXYYRQDQTAV-SNVBAGLBSA-N -1 3 334.343 2.016 20 30 EEEDHM CN(C(=O)C(C)(C)c1ccc(C#N)cc1)c1cc(-c2nnn[n-]2)ccn1 ZINC001578839864 1344307678 /nfs/dbraw/zinc/30/76/78/1344307678.db2.gz QQLWTBQHKQTJJB-UHFFFAOYSA-N -1 3 347.382 2.074 20 30 EEEDHM CN(C(=O)C(C)(C)c1ccc(C#N)cc1)c1cc(-c2nn[n-]n2)ccn1 ZINC001578839864 1344307681 /nfs/dbraw/zinc/30/76/81/1344307681.db2.gz QQLWTBQHKQTJJB-UHFFFAOYSA-N -1 3 347.382 2.074 20 30 EEEDHM CN(C(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1)c1ccsc1 ZINC001578840028 1344307768 /nfs/dbraw/zinc/30/77/68/1344307768.db2.gz TZHMKLJPXZTQAK-CYBMUJFWSA-N -1 3 338.396 2.273 20 30 EEEDHM CN(C(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)c1ccsc1 ZINC001578840028 1344307770 /nfs/dbraw/zinc/30/77/70/1344307770.db2.gz TZHMKLJPXZTQAK-CYBMUJFWSA-N -1 3 338.396 2.273 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)cc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)n1 ZINC001580620796 1344545560 /nfs/dbraw/zinc/54/55/60/1344545560.db2.gz SHHZYLHAXPZQNG-LSDHHAIUSA-N -1 3 345.366 2.184 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)cc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)n1 ZINC001580620796 1344545562 /nfs/dbraw/zinc/54/55/62/1344545562.db2.gz SHHZYLHAXPZQNG-LSDHHAIUSA-N -1 3 345.366 2.184 20 30 EEEDHM N#Cc1cc(C(=O)N2Cc3cccc(-c4nnn[n-]4)c3C2)ccc1F ZINC001581865354 1344681569 /nfs/dbraw/zinc/68/15/69/1344681569.db2.gz ILWRKDPFVIZTPC-UHFFFAOYSA-N -1 3 334.314 2.033 20 30 EEEDHM N#Cc1cc(C(=O)N2Cc3cccc(-c4nn[n-]n4)c3C2)ccc1F ZINC001581865354 1344681571 /nfs/dbraw/zinc/68/15/71/1344681571.db2.gz ILWRKDPFVIZTPC-UHFFFAOYSA-N -1 3 334.314 2.033 20 30 EEEDHM C#CCC1(NC(=O)Nc2cc(OC)c(-c3nnn[n-]3)cc2F)CCC1 ZINC001588334716 1348890598 /nfs/dbraw/zinc/89/05/98/1348890598.db2.gz HXOMGBFUAHUCSH-UHFFFAOYSA-N -1 3 344.350 2.082 20 30 EEEDHM C#CCC1(NC(=O)Nc2cc(OC)c(-c3nn[n-]n3)cc2F)CCC1 ZINC001588334716 1348890603 /nfs/dbraw/zinc/89/06/03/1348890603.db2.gz HXOMGBFUAHUCSH-UHFFFAOYSA-N -1 3 344.350 2.082 20 30 EEEDHM C#CCN(CC)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC(=C)C ZINC001588350585 1348893170 /nfs/dbraw/zinc/89/31/70/1348893170.db2.gz GJRXSFCQTIUBBR-UHFFFAOYSA-N -1 3 348.414 2.161 20 30 EEEDHM C#CCN(CC)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC(=C)C ZINC001588350585 1348893175 /nfs/dbraw/zinc/89/31/75/1348893175.db2.gz GJRXSFCQTIUBBR-UHFFFAOYSA-N -1 3 348.414 2.161 20 30 EEEDHM C#CCN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001588351839 1348895251 /nfs/dbraw/zinc/89/52/51/1348895251.db2.gz MUBFYKUDARGAHR-UHFFFAOYSA-N -1 3 334.339 2.415 20 30 EEEDHM C#C[C@H]1CC[C@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC001588365526 1348897047 /nfs/dbraw/zinc/89/70/47/1348897047.db2.gz WZLISNSOIHNBGA-HAQNSBGRSA-N -1 3 326.429 2.345 20 30 EEEDHM C#C[C@H]1CC[C@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC001588365526 1348897053 /nfs/dbraw/zinc/89/70/53/1348897053.db2.gz WZLISNSOIHNBGA-HAQNSBGRSA-N -1 3 326.429 2.345 20 30 EEEDHM C=C(C)CCC(=O)N(CC)CCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588410737 1348901883 /nfs/dbraw/zinc/90/18/83/1348901883.db2.gz UMBOGDNKYPWZLJ-UHFFFAOYSA-N -1 3 343.435 2.187 20 30 EEEDHM C=C(C)CCC(=O)N(CC)CCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588410737 1348901885 /nfs/dbraw/zinc/90/18/85/1348901885.db2.gz UMBOGDNKYPWZLJ-UHFFFAOYSA-N -1 3 343.435 2.187 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001588442199 1348905397 /nfs/dbraw/zinc/90/53/97/1348905397.db2.gz LQTZPOQPNHNKMJ-ZWNOBZJWSA-N -1 3 333.779 2.440 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001588442199 1348905399 /nfs/dbraw/zinc/90/53/99/1348905399.db2.gz LQTZPOQPNHNKMJ-ZWNOBZJWSA-N -1 3 333.779 2.440 20 30 EEEDHM C=C(Cl)C[C@@H](Nc1cc(-c2nnn[n-]2)cc(C)n1)C(=O)OCC ZINC001588449172 1348906091 /nfs/dbraw/zinc/90/60/91/1348906091.db2.gz HQWRCOZTSLORGA-LLVKDONJSA-N -1 3 336.783 2.056 20 30 EEEDHM C=C(Cl)C[C@@H](Nc1cc(-c2nn[n-]n2)cc(C)n1)C(=O)OCC ZINC001588449172 1348906095 /nfs/dbraw/zinc/90/60/95/1348906095.db2.gz HQWRCOZTSLORGA-LLVKDONJSA-N -1 3 336.783 2.056 20 30 EEEDHM C=CC(C)(C)CC(=O)NC[C@@H](CC)Nc1ncccc1-c1nnn[n-]1 ZINC001588484064 1348907951 /nfs/dbraw/zinc/90/79/51/1348907951.db2.gz XRNWNJCBUJXZRW-GFCCVEGCSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CC(C)(C)CC(=O)NC[C@@H](CC)Nc1ncccc1-c1nn[n-]n1 ZINC001588484064 1348907955 /nfs/dbraw/zinc/90/79/55/1348907955.db2.gz XRNWNJCBUJXZRW-GFCCVEGCSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)N1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001588491453 1348909244 /nfs/dbraw/zinc/90/92/44/1348909244.db2.gz GUWUHVQUMHVGBF-INIZCTEOSA-N -1 3 346.460 2.179 20 30 EEEDHM C=C[C@](C)(CCOC)C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001588500456 1348910011 /nfs/dbraw/zinc/91/00/11/1348910011.db2.gz XNXDRRDCCMVHJS-QGZVFWFLSA-N -1 3 346.387 2.018 20 30 EEEDHM C=CCC1(CNC(=O)NCc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001588557327 1348915864 /nfs/dbraw/zinc/91/58/64/1348915864.db2.gz LEUCVKKNNIFIDV-UHFFFAOYSA-N -1 3 341.419 2.197 20 30 EEEDHM C=CCC1(CNC(=O)NCc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001588557327 1348915866 /nfs/dbraw/zinc/91/58/66/1348915866.db2.gz LEUCVKKNNIFIDV-UHFFFAOYSA-N -1 3 341.419 2.197 20 30 EEEDHM C=CCC[C@@H]1CCCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588582827 1348921201 /nfs/dbraw/zinc/92/12/01/1348921201.db2.gz PIKDXVLYPMTVIR-OAHLLOKOSA-N -1 3 347.444 2.127 20 30 EEEDHM C=CCC[C@@H]1CCCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588582827 1348921204 /nfs/dbraw/zinc/92/12/04/1348921204.db2.gz PIKDXVLYPMTVIR-OAHLLOKOSA-N -1 3 347.444 2.127 20 30 EEEDHM C=CCCCCCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001588594290 1348921792 /nfs/dbraw/zinc/92/17/92/1348921792.db2.gz SEWAQTIBQDYMHJ-UHFFFAOYSA-N -1 3 342.403 2.058 20 30 EEEDHM C=CCCCCCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001588594290 1348921794 /nfs/dbraw/zinc/92/17/94/1348921794.db2.gz SEWAQTIBQDYMHJ-UHFFFAOYSA-N -1 3 342.403 2.058 20 30 EEEDHM C=CCCOC(=O)C1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001588609387 1348922696 /nfs/dbraw/zinc/92/26/96/1348922696.db2.gz NYGNMDXYUMTGIX-UHFFFAOYSA-N -1 3 345.378 2.342 20 30 EEEDHM C=CCN(C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)[C@@H](C)COC ZINC001588625450 1348924225 /nfs/dbraw/zinc/92/42/25/1348924225.db2.gz KMSWNSPVIPQAPD-QWHCGFSZSA-N -1 3 344.419 2.160 20 30 EEEDHM C=CCN(C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)[C@@H](C)COC ZINC001588625450 1348924227 /nfs/dbraw/zinc/92/42/27/1348924227.db2.gz KMSWNSPVIPQAPD-QWHCGFSZSA-N -1 3 344.419 2.160 20 30 EEEDHM C=CCN(CC=C)C(=O)COc1cc(C)c(-c2nn[n-]n2)c(C)c1C ZINC001588631684 1348924598 /nfs/dbraw/zinc/92/45/98/1348924598.db2.gz KUFGZSRRVYKBFA-UHFFFAOYSA-N -1 3 341.415 2.371 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(c1ccccc1-c1nnn[n-]1)C1CCC1 ZINC001588718264 1348931275 /nfs/dbraw/zinc/93/12/75/1348931275.db2.gz FDUYHYKJTVXEKX-ZBFHGGJFSA-N -1 3 339.399 2.343 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(c1ccccc1-c1nn[n-]n1)C1CCC1 ZINC001588718264 1348931276 /nfs/dbraw/zinc/93/12/76/1348931276.db2.gz FDUYHYKJTVXEKX-ZBFHGGJFSA-N -1 3 339.399 2.343 20 30 EEEDHM CC(C)(C#N)CNC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001589034147 1348953887 /nfs/dbraw/zinc/95/38/87/1348953887.db2.gz SDLCSWQTLNCIGK-CQSZACIVSA-N -1 3 339.403 2.093 20 30 EEEDHM CC(C)(C#N)CNC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001589034147 1348953892 /nfs/dbraw/zinc/95/38/92/1348953892.db2.gz SDLCSWQTLNCIGK-CQSZACIVSA-N -1 3 339.403 2.093 20 30 EEEDHM CC(C)(C#N)CC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC001589034288 1348954027 /nfs/dbraw/zinc/95/40/27/1348954027.db2.gz WEHDMCJVEFAGTG-UHFFFAOYSA-N -1 3 344.444 2.156 20 30 EEEDHM CC(C)(C#N)CC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC001589034288 1348954030 /nfs/dbraw/zinc/95/40/30/1348954030.db2.gz WEHDMCJVEFAGTG-UHFFFAOYSA-N -1 3 344.444 2.156 20 30 EEEDHM C[C@@H](NC(=O)NCC(C)(C)CC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001589935241 1349068900 /nfs/dbraw/zinc/06/89/00/1349068900.db2.gz WLWQWOFYRMIPQR-LLVKDONJSA-N -1 3 327.392 2.167 20 30 EEEDHM C[C@@H](NC(=O)NCC(C)(C)CC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001589935241 1349068908 /nfs/dbraw/zinc/06/89/08/1349068908.db2.gz WLWQWOFYRMIPQR-LLVKDONJSA-N -1 3 327.392 2.167 20 30 EEEDHM CC(C)(C(=O)N1CCC[C@](C)(C#N)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590054425 1349132738 /nfs/dbraw/zinc/13/27/38/1349132738.db2.gz JSMNEWANONKYRK-GOSISDBHSA-N -1 3 338.415 2.297 20 30 EEEDHM CC(C)(C(=O)N1CCC[C@](C)(C#N)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590054425 1349132742 /nfs/dbraw/zinc/13/27/42/1349132742.db2.gz JSMNEWANONKYRK-GOSISDBHSA-N -1 3 338.415 2.297 20 30 EEEDHM CCc1cc(C#N)ccc1OC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001590877950 1349408224 /nfs/dbraw/zinc/40/82/24/1349408224.db2.gz HHASDAGUBMYPFM-UHFFFAOYSA-N -1 3 334.339 2.223 20 30 EEEDHM CCc1cc(C#N)ccc1OC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001590877950 1349408233 /nfs/dbraw/zinc/40/82/33/1349408233.db2.gz HHASDAGUBMYPFM-UHFFFAOYSA-N -1 3 334.339 2.223 20 30 EEEDHM Cc1ccc(C(=O)OCC(=O)c2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC001592131932 1349595555 /nfs/dbraw/zinc/59/55/55/1349595555.db2.gz WJLNLUJASLGRDM-UHFFFAOYSA-N -1 3 347.334 2.087 20 30 EEEDHM Cc1ccc(C(=O)OCC(=O)c2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC001592131932 1349595564 /nfs/dbraw/zinc/59/55/64/1349595564.db2.gz WJLNLUJASLGRDM-UHFFFAOYSA-N -1 3 347.334 2.087 20 30 EEEDHM Cc1nn(C)c(Cl)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001592431014 1349631000 /nfs/dbraw/zinc/63/10/00/1349631000.db2.gz FYGJDZSTSYRYGR-FPLPWBNLSA-N -1 3 328.763 2.458 20 30 EEEDHM 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C=C(C)[C@H]1OCC[C@@H]1CNc1cc(-c2nnn[n-]2)ccc1C(C)=O ZINC001602753725 1350581697 /nfs/dbraw/zinc/58/16/97/1350581697.db2.gz SNSOKFJBMGTMJH-CZUORRHYSA-N -1 3 327.388 2.462 20 30 EEEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1cc(-c2nn[n-]n2)ccc1C(C)=O ZINC001602753725 1350581699 /nfs/dbraw/zinc/58/16/99/1350581699.db2.gz SNSOKFJBMGTMJH-CZUORRHYSA-N -1 3 327.388 2.462 20 30 EEEDHM C=CCN(Cc1cc(-c2nnn[n-]2)cnc1Cl)CC(F)(F)F ZINC001602852631 1350596773 /nfs/dbraw/zinc/59/67/73/1350596773.db2.gz YGHLHRMWYWMEIE-UHFFFAOYSA-N -1 3 332.717 2.465 20 30 EEEDHM C=CCN(Cc1cc(-c2nn[n-]n2)cnc1Cl)CC(F)(F)F ZINC001602852631 1350596775 /nfs/dbraw/zinc/59/67/75/1350596775.db2.gz YGHLHRMWYWMEIE-UHFFFAOYSA-N -1 3 332.717 2.465 20 30 EEEDHM CC(=NNC(=S)NC1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC001602906101 1350602971 /nfs/dbraw/zinc/60/29/71/1350602971.db2.gz CWOLCFYGKQHUKN-UHFFFAOYSA-N -1 3 343.460 2.388 20 30 EEEDHM CC(=NNC(=S)NC1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC001602906101 1350602975 /nfs/dbraw/zinc/60/29/75/1350602975.db2.gz CWOLCFYGKQHUKN-UHFFFAOYSA-N -1 3 343.460 2.388 20 30 EEEDHM C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001603180467 1350657520 /nfs/dbraw/zinc/65/75/20/1350657520.db2.gz IMKKJFOEAYWUSJ-DWQUBVKVSA-N -1 3 327.384 2.214 20 30 EEEDHM CC[C@H](C#N)N(CC)C(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001603978243 1350817967 /nfs/dbraw/zinc/81/79/67/1350817967.db2.gz UFBSYTXJIQWZDI-CQSZACIVSA-N -1 3 326.404 2.177 20 30 EEEDHM CC[C@H](C#N)N(CC)C(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001603978243 1350817972 /nfs/dbraw/zinc/81/79/72/1350817972.db2.gz UFBSYTXJIQWZDI-CQSZACIVSA-N -1 3 326.404 2.177 20 30 EEEDHM CC[C@H](CC#N)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001604013082 1350829635 /nfs/dbraw/zinc/82/96/35/1350829635.db2.gz AQUZKCGHKCYVQM-SECBINFHSA-N -1 3 338.331 2.427 20 30 EEEDHM CC[C@H](CC#N)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001604013082 1350829641 /nfs/dbraw/zinc/82/96/41/1350829641.db2.gz AQUZKCGHKCYVQM-SECBINFHSA-N -1 3 338.331 2.427 20 30 EEEDHM CN(C)c1ccccc1CN(C)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001604702460 1350987936 /nfs/dbraw/zinc/98/79/36/1350987936.db2.gz OCGSPZCRDDUKLQ-UHFFFAOYSA-N -1 3 333.399 2.441 20 30 EEEDHM CN(C)c1ccccc1CN(C)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001604702460 1350987939 /nfs/dbraw/zinc/98/79/39/1350987939.db2.gz OCGSPZCRDDUKLQ-UHFFFAOYSA-N -1 3 333.399 2.441 20 30 EEEDHM Cc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)cc1C#N ZINC001605820521 1351228223 /nfs/dbraw/zinc/22/82/23/1351228223.db2.gz QTSIJIIXPVBLDG-UHFFFAOYSA-N -1 3 336.330 2.116 20 30 EEEDHM Cc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)cc1C#N ZINC001605820521 1351228227 /nfs/dbraw/zinc/22/82/27/1351228227.db2.gz QTSIJIIXPVBLDG-UHFFFAOYSA-N -1 3 336.330 2.116 20 30 EEEDHM N#CC[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001606345714 1351295682 /nfs/dbraw/zinc/29/56/82/1351295682.db2.gz HOJFRXNXPGIELI-SNVBAGLBSA-N -1 3 330.779 2.286 20 30 EEEDHM N#CC[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001606345714 1351295684 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O=C(CC1(CSc2ccccc2)CC1)N[C@@H]1CCCN([O-])C1=O ZINC000848134133 1373085765 /nfs/dbraw/zinc/08/57/65/1373085765.db2.gz ODXSXUQDMNRRRN-CQSZACIVSA-N -1 3 334.441 2.445 20 30 EEEDHM COc1cccnc1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC001363929712 1373557343 /nfs/dbraw/zinc/55/73/43/1373557343.db2.gz CBOXVLBCWOJIMA-UHFFFAOYSA-N -1 3 337.788 2.094 20 30 EEEDHM N#C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC1CC(F)(F)C1 ZINC001592667683 1404708224 /nfs/dbraw/zinc/70/82/24/1404708224.db2.gz AHGARAIYYUNQJB-CYBMUJFWSA-N -1 3 347.325 2.137 20 30 EEEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC1CC(F)(F)C1 ZINC001592667683 1404708230 /nfs/dbraw/zinc/70/82/30/1404708230.db2.gz AHGARAIYYUNQJB-CYBMUJFWSA-N -1 3 347.325 2.137 20 30 EEEDHM N#CC1(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2F)CCCC1 ZINC001592668325 1404708724 /nfs/dbraw/zinc/70/87/24/1404708724.db2.gz JTJKFGIDVDTPIF-UHFFFAOYSA-N -1 3 329.339 2.211 20 30 EEEDHM N#CC1(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2F)CCCC1 ZINC001592668325 1404708726 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ZINC001272402319 1190803050 /nfs/dbraw/zinc/80/30/50/1190803050.db2.gz RCYLTGLUYOLJIP-QGZVFWFLSA-N -1 3 349.818 2.081 20 30 EEEDHM C=CCN1CCCC[C@H](NC(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC001034427144 1196204259 /nfs/dbraw/zinc/20/42/59/1196204259.db2.gz RSBDMIUOIYOTGT-ZDUSSCGKSA-N -1 3 326.400 2.106 20 30 EEEDHM C=C(C)CN1C[C@@]2(CC1=O)COCCN(Cc1c([O-])cccc1F)C2 ZINC001273265465 1197887954 /nfs/dbraw/zinc/88/79/54/1197887954.db2.gz GJCZDCQQZGCHQW-IBGZPJMESA-N -1 3 348.418 2.158 20 30 EEEDHM CC(C)Oc1ccc(NC(=O)N[C@H]2CCCN([O-])C2=O)c(F)c1 ZINC000878504530 1200510089 /nfs/dbraw/zinc/51/00/89/1200510089.db2.gz LHAAUSAXGDGLDY-ZDUSSCGKSA-N -1 3 325.340 2.115 20 30 EEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)CC(C)C)ccc1F ZINC000121949657 1201715317 /nfs/dbraw/zinc/71/53/17/1201715317.db2.gz FVASCSRJDXPJLI-GFCCVEGCSA-N -1 3 342.436 2.454 20 30 EEEDHM C#CCNC(=O)[C@H]1CC12CCN(Cc1ccc(Cl)c([O-])c1)CC2 ZINC001274182124 1204440973 /nfs/dbraw/zinc/44/09/73/1204440973.db2.gz LTRFVXLFWFQJRK-CQSZACIVSA-N -1 3 332.831 2.397 20 30 EEEDHM C=CCN1C[C@@]2(CCN(Cc3cccc(Cl)c3[O-])C2)OCC1=O ZINC001274229006 1204968785 /nfs/dbraw/zinc/96/87/85/1204968785.db2.gz XLFJMHVAMNNPQN-KRWDZBQOSA-N -1 3 336.819 2.035 20 30 EEEDHM N#Cc1ccc([O-])c(CN2C[C@@H]3COC[C@H](C2)N3C2CCCC2)c1 ZINC001275551536 1205408765 /nfs/dbraw/zinc/40/87/65/1205408765.db2.gz WWGNPJKNWPTAFQ-HDICACEKSA-N -1 3 327.428 2.091 20 30 EEEDHM CC[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1NC(=O)c1ccccc1[O-] ZINC000948415045 1209124096 /nfs/dbraw/zinc/12/40/96/1209124096.db2.gz PKMGLDGIQXNNQS-WBVHZDCISA-N -1 3 340.423 2.163 20 30 EEEDHM C#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000955896640 1213400074 /nfs/dbraw/zinc/40/00/74/1213400074.db2.gz RHXZHOLVEVGPOH-KRWDZBQOSA-N -1 3 348.402 2.408 20 30 EEEDHM C#CCN1CCC[C@@]2(CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)C2)C1 ZINC001040282025 1231150426 /nfs/dbraw/zinc/15/04/26/1231150426.db2.gz GSNAFEXQLWOMGL-OAQYLSRUSA-N -1 3 349.434 2.089 20 30 EEEDHM Cc1nc2ncnn2c(C)c1CCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901375677 1235635137 /nfs/dbraw/zinc/63/51/37/1235635137.db2.gz JRXRPNRYJUTVBD-UHFFFAOYSA-N -1 3 343.362 2.231 20 30 EEEDHM CN(C[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccncc1C#N ZINC001067732781 1249460608 /nfs/dbraw/zinc/46/06/08/1249460608.db2.gz QINZAKDVKKQCTI-OAHLLOKOSA-N -1 3 336.395 2.400 20 30 EEEDHM C=CCOC[C@@H](NCc1cn(-c2ccccc2F)nc1C)C(=O)[O-] ZINC000901808953 1236364115 /nfs/dbraw/zinc/36/41/15/1236364115.db2.gz AIJSNFJEJAOXRE-OAHLLOKOSA-N -1 3 333.363 2.065 20 30 EEEDHM C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001054526542 1248559854 /nfs/dbraw/zinc/55/98/54/1248559854.db2.gz CEAABNIGTUIQPJ-APIJFGDWSA-N -1 3 341.411 2.051 20 30 EEEDHM C[C@H]1C[C@H](CNc2nccnc2C#N)CN1C(=O)c1ccccc1[O-] ZINC001068292020 1250707743 /nfs/dbraw/zinc/70/77/43/1250707743.db2.gz FMGYUVUMIMNLCH-QWHCGFSZSA-N -1 3 337.383 2.017 20 30 EEEDHM C[C@H]1[C@@H](NC(=O)c2ccccc2[O-])CCCN1c1ccncc1C#N ZINC001069334691 1252758588 /nfs/dbraw/zinc/75/85/88/1252758588.db2.gz RMDMNULNQXMXTD-BBRMVZONSA-N -1 3 336.395 2.446 20 30 EEEDHM C=CCCCC(=O)NCC1(NC(=O)c2ccccc2[O-])CCOCC1 ZINC001069996427 1253394442 /nfs/dbraw/zinc/39/44/42/1253394442.db2.gz DHMPRHMRMCYFJF-UHFFFAOYSA-N -1 3 346.427 2.144 20 30 EEEDHM C=C(C)CN1C[C@@H](NC(=O)c2n[n-]c3ccccc3c2=O)CC[C@H]1C ZINC001071869368 1254731949 /nfs/dbraw/zinc/73/19/49/1254731949.db2.gz QVGVMYIHNKNTEK-KGLIPLIRSA-N -1 3 340.427 2.494 20 30 EEEDHM CCCCCCCCS(=O)(=O)[N-]c1c(C(=O)OC)cnn1C ZINC001187994070 1279731438 /nfs/dbraw/zinc/73/14/38/1279731438.db2.gz BWLQIOCJDJTSTQ-UHFFFAOYSA-N -1 3 331.438 2.309 20 30 EEEDHM O=C(/C=C/[N-]S(=O)(=O)Cc1cccc(F)c1F)C(F)(F)F ZINC001189480254 1280354193 /nfs/dbraw/zinc/35/41/93/1280354193.db2.gz VFYUTYUZDNDOQB-SNAWJCMRSA-N -1 3 329.246 2.029 20 30 EEEDHM C=CCC1(S(=O)(=O)[N-]c2c(F)cccc2OC2COC2)CC1 ZINC001190815209 1281089375 /nfs/dbraw/zinc/08/93/75/1281089375.db2.gz FRZCSXXLBXAYOW-UHFFFAOYSA-N -1 3 327.377 2.454 20 30 EEEDHM Cc1cc([O-])c(C=NNC(=S)NC[C@@H]2CCCO2)cc1Cl ZINC000853267211 1292342352 /nfs/dbraw/zinc/34/23/52/1292342352.db2.gz ISCSBZWFEXZCCC-NSHDSACASA-N -1 3 327.837 2.331 20 30 EEEDHM CCC(C)(CC)OC(=O)C[C@H](N)C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001218954181 1297879038 /nfs/dbraw/zinc/87/90/38/1297879038.db2.gz HRJAKQBPRPSKQD-ZDUSSCGKSA-N -1 3 333.388 2.042 20 30 EEEDHM CCC(C)(CC)OC(=O)C[C@H](N)C(=O)Nc1ccc(C#N)cc1[O-] ZINC001218992114 1297898886 /nfs/dbraw/zinc/89/88/86/1297898886.db2.gz GFHTVIFYSCNIRA-LBPRGKRZSA-N -1 3 333.388 2.042 20 30 EEEDHM CC(C)(C)OC(=O)N1CCCC[C@@H](Oc2nccc(/C=N/[O-])n2)C1 ZINC001226254336 1301322985 /nfs/dbraw/zinc/32/29/85/1301322985.db2.gz WLSMVURROPCXOB-HVOBPNNYSA-N -1 3 336.392 2.453 20 30 EEEDHM C=C[C@@H]1O[C@H](Oc2[n-]c(=O)nc3c(C)cccc23)[C@H]2OC(C)(C)O[C@@H]12 ZINC001229406629 1302766639 /nfs/dbraw/zinc/76/66/39/1302766639.db2.gz BHXGMTVRLVXAIB-ATVPRXPUSA-N -1 3 344.367 2.454 20 30 EEEDHM C[C@](CNc1cncc(C#N)n1)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001103500353 1303044258 /nfs/dbraw/zinc/04/42/58/1303044258.db2.gz LDXOPEKAGFCGGT-GOSISDBHSA-N -1 3 337.383 2.064 20 30 EEEDHM N#CCC1CN(Cc2ccc([O-])c(I)c2)C1 ZINC001232868561 1304276057 /nfs/dbraw/zinc/27/60/57/1304276057.db2.gz PWHOABOYGUUGET-UHFFFAOYSA-N -1 3 328.153 2.342 20 30 EEEDHM CCOC(=O)c1cc(C)nc(-c2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC001241441705 1309484015 /nfs/dbraw/zinc/48/40/15/1309484015.db2.gz STRGXHLXNJRRSA-UHFFFAOYSA-N -1 3 334.339 2.286 20 30 EEEDHM CCOC(=O)c1cc(C)nc(-c2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC001241441705 1309484029 /nfs/dbraw/zinc/48/40/29/1309484029.db2.gz STRGXHLXNJRRSA-UHFFFAOYSA-N -1 3 334.339 2.286 20 30 EEEDHM CC(C)(CC#N)CNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000838753284 1315187183 /nfs/dbraw/zinc/18/71/83/1315187183.db2.gz GTQKGNHNKQGCMX-NSHDSACASA-N -1 3 348.369 2.026 20 30 EEEDHM COc1ccc2ncc([O-])c(C(=O)NCc3ncc(C#N)s3)c2c1 ZINC001154516572 1317175330 /nfs/dbraw/zinc/17/53/30/1317175330.db2.gz FEYFPPYTGTYCGR-UHFFFAOYSA-N -1 3 340.364 2.207 20 30 EEEDHM N#Cc1ccc2[n-]c(C(=O)NC[C@@H](O)C3CCCCC3)cc(=O)c2c1 ZINC001154559247 1317205140 /nfs/dbraw/zinc/20/51/40/1317205140.db2.gz KEWPLCDIXNQWAP-GOSISDBHSA-N -1 3 339.395 2.071 20 30 EEEDHM CC(=O)Oc1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC001258135881 1319185510 /nfs/dbraw/zinc/18/55/10/1319185510.db2.gz JPJHLYOMBIBBMQ-UHFFFAOYSA-N -1 3 334.328 2.423 20 30 EEEDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C12CCC(C#N)(CC1)CC2 ZINC001258466201 1319265682 /nfs/dbraw/zinc/26/56/82/1319265682.db2.gz TYCYKEKYMKTACD-UHFFFAOYSA-N -1 3 342.852 2.277 20 30 EEEDHM Cc1cccc(C2([N-]S(=O)(=O)c3cccc(C#N)c3)COC2)c1 ZINC001259126975 1319451586 /nfs/dbraw/zinc/45/15/86/1319451586.db2.gz YSHLGNRFNJAPAJ-UHFFFAOYSA-N -1 3 328.393 2.071 20 30 EEEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2cnn(C3CCOCC3)c2)cc1 ZINC001260038508 1319780899 /nfs/dbraw/zinc/78/08/99/1319780899.db2.gz KKGSJVJDGWRHAZ-UHFFFAOYSA-N -1 3 346.412 2.048 20 30 EEEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(F)(F)c1cc2cc[nH]c2c(Cl)n1 ZINC001160175938 1320090805 /nfs/dbraw/zinc/09/08/05/1320090805.db2.gz AAJZWDIWBCAXLV-RCOVLWMOSA-N -1 3 330.722 2.091 20 30 EEEDHM Cc1ncc(Nc2ccc([C@@H](C#N)c3ccccc3F)nn2)c(=O)[n-]1 ZINC001162300482 1320814670 /nfs/dbraw/zinc/81/46/70/1320814670.db2.gz IBQVHAQIYSVSJH-SWLSCSKDSA-N -1 3 336.330 2.081 20 30 EEEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1ccc(F)nc1 ZINC001590037592 1349120679 /nfs/dbraw/zinc/12/06/79/1349120679.db2.gz OAKDIHHNRLQIPK-SSDOTTSWSA-N -1 3 342.363 2.103 20 30 EEEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1ccc(F)nc1 ZINC001590037592 1349120686 /nfs/dbraw/zinc/12/06/86/1349120686.db2.gz OAKDIHHNRLQIPK-SSDOTTSWSA-N -1 3 342.363 2.103 20 30 EEEDHM C#CCCOC(=O)Oc1ccc(Br)c(-c2nnn[n-]2)c1 ZINC001602714129 1350577223 /nfs/dbraw/zinc/57/72/23/1350577223.db2.gz KPEDAJUDLNWTGJ-UHFFFAOYSA-N -1 3 337.133 2.168 20 30 EEEDHM C#CCCOC(=O)Oc1ccc(Br)c(-c2nn[n-]n2)c1 ZINC001602714129 1350577225 /nfs/dbraw/zinc/57/72/25/1350577225.db2.gz KPEDAJUDLNWTGJ-UHFFFAOYSA-N -1 3 337.133 2.168 20 30 EEEDHM C=CC(C)(C)C(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602780859 1350585670 /nfs/dbraw/zinc/58/56/70/1350585670.db2.gz SCJYTMLLMSSDIH-UHFFFAOYSA-N -1 3 329.404 2.054 20 30 EEEDHM C=CC(C)(C)C(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602780859 1350585674 /nfs/dbraw/zinc/58/56/74/1350585674.db2.gz SCJYTMLLMSSDIH-UHFFFAOYSA-N -1 3 329.404 2.054 20 30 EEEDHM C=CC(C)(C)C(=O)N[C@@H](C)CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001602782622 1350585750 /nfs/dbraw/zinc/58/57/50/1350585750.db2.gz CPUSFYKHWIZCFD-NSHDSACASA-N -1 3 346.410 2.159 20 30 EEEDHM C=CC(C)(C)C(=O)N[C@@H](C)CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001602782622 1350585754 /nfs/dbraw/zinc/58/57/54/1350585754.db2.gz CPUSFYKHWIZCFD-NSHDSACASA-N -1 3 346.410 2.159 20 30 EEEDHM C=C[C@@](C)(CCOC)C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC001609052165 1351824871 /nfs/dbraw/zinc/82/48/71/1351824871.db2.gz OVDLAWBMHSRVAZ-KRWDZBQOSA-N -1 3 330.388 2.447 20 30 EEEDHM C=C[C@@](C)(CCOC)C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC001609052165 1351824876 /nfs/dbraw/zinc/82/48/76/1351824876.db2.gz OVDLAWBMHSRVAZ-KRWDZBQOSA-N -1 3 330.388 2.447 20 30 EEEDHM C=CCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001609058857 1351826907 /nfs/dbraw/zinc/82/69/07/1351826907.db2.gz ZPPRVGMJZVUHKR-UHFFFAOYSA-N -1 3 337.343 2.362 20 30 EEEDHM C=CCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001609058857 1351826912 /nfs/dbraw/zinc/82/69/12/1351826912.db2.gz ZPPRVGMJZVUHKR-UHFFFAOYSA-N -1 3 337.343 2.362 20 30 EEEDHM C[C@H](C#N)CN(C)C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609067555 1351830285 /nfs/dbraw/zinc/83/02/85/1351830285.db2.gz VPDUSTABIMTSTD-ABAIWWIYSA-N -1 3 339.403 2.045 20 30 EEEDHM C[C@H](C#N)CN(C)C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609067555 1351830289 /nfs/dbraw/zinc/83/02/89/1351830289.db2.gz VPDUSTABIMTSTD-ABAIWWIYSA-N -1 3 339.403 2.045 20 30 EEEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1nc(-c2ccccc2)oc1C1CC1 ZINC001326767924 1334156710 /nfs/dbraw/zinc/15/67/10/1334156710.db2.gz OAHCYIDPLGXGDO-CYBMUJFWSA-N -1 3 341.367 2.329 20 30 EEEDHM CCc1ccc([C@@H](C#N)NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001609252440 1351910049 /nfs/dbraw/zinc/91/00/49/1351910049.db2.gz XABUZHPYFQJHKO-MRXNPFEDSA-N -1 3 332.367 2.424 20 30 EEEDHM CCc1ccc([C@@H](C#N)NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001609252440 1351910050 /nfs/dbraw/zinc/91/00/50/1351910050.db2.gz XABUZHPYFQJHKO-MRXNPFEDSA-N -1 3 332.367 2.424 20 30 EEEDHM CN(Cc1cc(C(C)(C)C)n[nH]1)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001609277670 1351919172 /nfs/dbraw/zinc/91/91/72/1351919172.db2.gz SUJAEJQHFXNWRB-UHFFFAOYSA-N -1 3 336.403 2.395 20 30 EEEDHM COC(=O)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)[nH]1 ZINC001609302721 1351925050 /nfs/dbraw/zinc/92/50/50/1351925050.db2.gz DXBBOYJLCOGSRS-QPJJXVBHSA-N -1 3 341.302 2.017 20 30 EEEDHM COC(=O)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)[nH]1 ZINC001609302721 1351925052 /nfs/dbraw/zinc/92/50/52/1351925052.db2.gz DXBBOYJLCOGSRS-QPJJXVBHSA-N -1 3 341.302 2.017 20 30 EEEDHM COc1cc(OC(=O)c2ccc(C)c(-c3nnn[n-]3)c2)ccc1C#N ZINC001609347060 1351940635 /nfs/dbraw/zinc/94/06/35/1351940635.db2.gz DQUFQVHALYBYAW-UHFFFAOYSA-N -1 3 335.323 2.275 20 30 EEEDHM COc1cc(OC(=O)c2ccc(C)c(-c3nn[n-]n3)c2)ccc1C#N ZINC001609347060 1351940638 /nfs/dbraw/zinc/94/06/38/1351940638.db2.gz DQUFQVHALYBYAW-UHFFFAOYSA-N -1 3 335.323 2.275 20 30 EEEDHM Cc1cc(OC(=O)c2ccc(C#N)cn2)c(C)c(C)c1-c1nn[n-]n1 ZINC001609411223 1351965731 /nfs/dbraw/zinc/96/57/31/1351965731.db2.gz VLJGUCXYVQGWJL-UHFFFAOYSA-N -1 3 334.339 2.278 20 30 EEEDHM Cn1cc(C=NNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cn1 ZINC001609478499 1351992244 /nfs/dbraw/zinc/99/22/44/1351992244.db2.gz FHFNLGCMVAJGEL-UHFFFAOYSA-N -1 3 336.281 2.065 20 30 EEEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCc1ccc(C#N)cc1Cl ZINC001609478084 1351992613 /nfs/dbraw/zinc/99/26/13/1351992613.db2.gz WLTXIMZJGAUOCP-UHFFFAOYSA-N -1 3 342.746 2.087 20 30 EEEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCc1ccc(C#N)cc1Cl ZINC001609478084 1351992615 /nfs/dbraw/zinc/99/26/15/1351992615.db2.gz WLTXIMZJGAUOCP-UHFFFAOYSA-N -1 3 342.746 2.087 20 30 EEEDHM N#Cc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC001609498626 1351999109 /nfs/dbraw/zinc/99/91/09/1351999109.db2.gz KQOBDZHTEBZTNY-UHFFFAOYSA-N -1 3 344.787 2.383 20 30 EEEDHM N#Cc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC001609498626 1351999112 /nfs/dbraw/zinc/99/91/12/1351999112.db2.gz KQOBDZHTEBZTNY-UHFFFAOYSA-N -1 3 344.787 2.383 20 30 EEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001338885116 1336926474 /nfs/dbraw/zinc/92/64/74/1336926474.db2.gz PBSKDUIWOKKBOW-GFCCVEGCSA-N -1 3 335.433 2.403 20 30 EEEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](C)[C@H](C)[C@@H]1C ZINC001339197584 1336974302 /nfs/dbraw/zinc/97/43/02/1336974302.db2.gz SNACJCKHPRDBLL-SRVKXCTJSA-N -1 3 328.420 2.416 20 30 EEEDHM C=CC[C@H]1CCCN(c2nnc(-c3cnc[n-]c3=O)n2CC=C)C1 ZINC001339607220 1337036692 /nfs/dbraw/zinc/03/66/92/1337036692.db2.gz REQRIKINSUSKIV-ZDUSSCGKSA-N -1 3 326.404 2.419 20 30 EEEDHM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC(F)(F)C1 ZINC001340345743 1337164572 /nfs/dbraw/zinc/16/45/72/1337164572.db2.gz JVJPXCSXFQNGAT-UHFFFAOYSA-N -1 3 348.357 2.350 20 30 EEEDHM C#CCN(C)c1nnc(-c2cc(=O)[n-]c(C)n2)n1CCc1ccccc1 ZINC001344398729 1337392935 /nfs/dbraw/zinc/39/29/35/1337392935.db2.gz IYTLPXQBTRWMDG-UHFFFAOYSA-N -1 3 348.410 2.061 20 30 EEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cncc(F)c1 ZINC001434355448 1341830964 /nfs/dbraw/zinc/83/09/64/1341830964.db2.gz OTVFQBIAFRBDAJ-UHFFFAOYSA-N -1 3 328.347 2.059 20 30 EEEDHM COc1ccc(NC(=O)c2ccc(C#N)s2)cc1-c1nnn[n-]1 ZINC001580043882 1344456848 /nfs/dbraw/zinc/45/68/48/1344456848.db2.gz QEMAVFKIFLXQLR-UHFFFAOYSA-N -1 3 326.341 2.061 20 30 EEEDHM COc1ccc(NC(=O)c2ccc(C#N)s2)cc1-c1nn[n-]n1 ZINC001580043882 1344456850 /nfs/dbraw/zinc/45/68/50/1344456850.db2.gz QEMAVFKIFLXQLR-UHFFFAOYSA-N -1 3 326.341 2.061 20 30 EEEDHM Cc1cc(N(C)CCOCc2ccc(C#N)cc2)ncc1-c1nnn[n-]1 ZINC001580949888 1344574860 /nfs/dbraw/zinc/57/48/60/1344574860.db2.gz RUNZLNUMRJTUDO-UHFFFAOYSA-N -1 3 349.398 2.095 20 30 EEEDHM Cc1cc(N(C)CCOCc2ccc(C#N)cc2)ncc1-c1nn[n-]n1 ZINC001580949888 1344574864 /nfs/dbraw/zinc/57/48/64/1344574864.db2.gz RUNZLNUMRJTUDO-UHFFFAOYSA-N -1 3 349.398 2.095 20 30 EEEDHM Cc1nc(C(=O)NC(C)(C)c2cccc(C#N)c2)ccc1-c1nnn[n-]1 ZINC001581421445 1344623804 /nfs/dbraw/zinc/62/38/04/1344623804.db2.gz WHYVBXPXIUGVHI-UHFFFAOYSA-N -1 3 347.382 2.107 20 30 EEEDHM Cc1nc(C(=O)NC(C)(C)c2cccc(C#N)c2)ccc1-c1nn[n-]n1 ZINC001581421445 1344623809 /nfs/dbraw/zinc/62/38/09/1344623809.db2.gz WHYVBXPXIUGVHI-UHFFFAOYSA-N -1 3 347.382 2.107 20 30 EEEDHM N#CCOc1cccc(OC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC001581858836 1344679519 /nfs/dbraw/zinc/67/95/19/1344679519.db2.gz XTCGCEBNGOGRHW-UHFFFAOYSA-N -1 3 327.325 2.050 20 30 EEEDHM N#CCOc1cccc(OC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC001581858836 1344679520 /nfs/dbraw/zinc/67/95/20/1344679520.db2.gz XTCGCEBNGOGRHW-UHFFFAOYSA-N -1 3 327.325 2.050 20 30 EEEDHM C#C[C@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC001588332071 1348889319 /nfs/dbraw/zinc/88/93/19/1348889319.db2.gz FTJFWXIVJYBPAW-LBPRGKRZSA-N -1 3 341.419 2.300 20 30 EEEDHM C#C[C@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC001588332071 1348889322 /nfs/dbraw/zinc/88/93/22/1348889322.db2.gz FTJFWXIVJYBPAW-LBPRGKRZSA-N -1 3 341.419 2.300 20 30 EEEDHM C#CCN(C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588349123 1348893614 /nfs/dbraw/zinc/89/36/14/1348893614.db2.gz CUENRNVDGZXDSF-UHFFFAOYSA-N -1 3 333.351 2.364 20 30 EEEDHM C#CCN(C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588349123 1348893621 /nfs/dbraw/zinc/89/36/21/1348893621.db2.gz CUENRNVDGZXDSF-UHFFFAOYSA-N -1 3 333.351 2.364 20 30 EEEDHM C#CCOc1cccc(OC(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC001588363144 1348894703 /nfs/dbraw/zinc/89/47/03/1348894703.db2.gz MVZLEUKIXQIRCX-UHFFFAOYSA-N -1 3 334.335 2.406 20 30 EEEDHM C#CCOc1cccc(OC(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC001588363144 1348894706 /nfs/dbraw/zinc/89/47/06/1348894706.db2.gz MVZLEUKIXQIRCX-UHFFFAOYSA-N -1 3 334.335 2.406 20 30 EEEDHM C#Cc1ccc(C(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)nc1 ZINC001588373440 1348896053 /nfs/dbraw/zinc/89/60/53/1348896053.db2.gz KBLGDJLGQVGTTA-UHFFFAOYSA-N -1 3 330.351 2.373 20 30 EEEDHM C#Cc1ccc(C(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)nc1 ZINC001588373440 1348896057 /nfs/dbraw/zinc/89/60/57/1348896057.db2.gz KBLGDJLGQVGTTA-UHFFFAOYSA-N -1 3 330.351 2.373 20 30 EEEDHM C=C(C)[C@@H](C)OC(=O)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001588402703 1348900843 /nfs/dbraw/zinc/90/08/43/1348900843.db2.gz KMYXKXGJAVHMPR-DGCLKSJQSA-N -1 3 345.378 2.340 20 30 EEEDHM C=C(C)C[C@H](C)C(=O)O[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC001588404286 1348901147 /nfs/dbraw/zinc/90/11/47/1348901147.db2.gz GXIPUVXNNSOQBY-FZMZJTMJSA-N -1 3 344.371 2.226 20 30 EEEDHM C=C(C)C[C@H](C)C(=O)O[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC001588404286 1348901150 /nfs/dbraw/zinc/90/11/50/1348901150.db2.gz GXIPUVXNNSOQBY-FZMZJTMJSA-N -1 3 344.371 2.226 20 30 EEEDHM C=C(C)CCC(=O)N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC001588412102 1348902244 /nfs/dbraw/zinc/90/22/44/1348902244.db2.gz RRMDIZQORWGICD-UHFFFAOYSA-N -1 3 344.394 2.011 20 30 EEEDHM C=C(C)CCC(=O)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC001588412102 1348902247 /nfs/dbraw/zinc/90/22/47/1348902247.db2.gz RRMDIZQORWGICD-UHFFFAOYSA-N -1 3 344.394 2.011 20 30 EEEDHM C=C(CC)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001588441385 1348905055 /nfs/dbraw/zinc/90/50/55/1348905055.db2.gz DSIYLJYTRSHVSY-UHFFFAOYSA-N -1 3 327.323 2.096 20 30 EEEDHM C=C1CC(C)(C(=O)N(CCOC)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588448463 1348906024 /nfs/dbraw/zinc/90/60/24/1348906024.db2.gz ZZZBVINGONZFKR-UHFFFAOYSA-N -1 3 341.415 2.198 20 30 EEEDHM C=C1CC(C)(C(=O)N(CCOC)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588448463 1348906030 /nfs/dbraw/zinc/90/60/30/1348906030.db2.gz ZZZBVINGONZFKR-UHFFFAOYSA-N -1 3 341.415 2.198 20 30 EEEDHM C=C[C@](C)(CC)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588489203 1348909030 /nfs/dbraw/zinc/90/90/30/1348909030.db2.gz XUXNDQDOKMIOPE-YVEFUNNKSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@](C)(CC)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588489203 1348909032 /nfs/dbraw/zinc/90/90/32/1348909032.db2.gz XUXNDQDOKMIOPE-YVEFUNNKSA-N -1 3 343.435 2.123 20 30 EEEDHM C=CCC1(C=NNCc2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC001588557973 1348916595 /nfs/dbraw/zinc/91/65/95/1348916595.db2.gz XZTZRILJAPKVGJ-UHFFFAOYSA-N -1 3 326.404 2.315 20 30 EEEDHM C=CCC1(C=NNCc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001588557973 1348916597 /nfs/dbraw/zinc/91/65/97/1348916597.db2.gz XZTZRILJAPKVGJ-UHFFFAOYSA-N -1 3 326.404 2.315 20 30 EEEDHM C=CCCC(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588567597 1348918712 /nfs/dbraw/zinc/91/87/12/1348918712.db2.gz VQDLPWZKYQKJPH-AWEZNQCLSA-N -1 3 341.419 2.021 20 30 EEEDHM C=CCCC(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588567597 1348918715 /nfs/dbraw/zinc/91/87/15/1348918715.db2.gz VQDLPWZKYQKJPH-AWEZNQCLSA-N -1 3 341.419 2.021 20 30 EEEDHM C=CCCC(=O)N[C@@H]1CCC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001588571067 1348919256 /nfs/dbraw/zinc/91/92/56/1348919256.db2.gz SXNZEGHIFOEIRW-OLZOCXBDSA-N -1 3 341.419 2.067 20 30 EEEDHM C=CCCC(=O)N[C@@H]1CCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001588571067 1348919259 /nfs/dbraw/zinc/91/92/59/1348919259.db2.gz SXNZEGHIFOEIRW-OLZOCXBDSA-N -1 3 341.419 2.067 20 30 EEEDHM C=CCCC[C@H]1NC(=O)N([C@H](C)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC001588593951 1348921882 /nfs/dbraw/zinc/92/18/82/1348921882.db2.gz NJNQSHACYLHMLZ-BXUZGUMPSA-N -1 3 340.387 2.204 20 30 EEEDHM C=CCCC[C@H]1NC(=O)N([C@H](C)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC001588593951 1348921883 /nfs/dbraw/zinc/92/18/83/1348921883.db2.gz NJNQSHACYLHMLZ-BXUZGUMPSA-N -1 3 340.387 2.204 20 30 EEEDHM C=CCCC[C@@H](C)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588595125 1348922010 /nfs/dbraw/zinc/92/20/10/1348922010.db2.gz YYJSCUNZSKRJGC-CZUORRHYSA-N -1 3 338.415 2.410 20 30 EEEDHM C=CCCCCCN(c1cccc(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC001588593658 1348922119 /nfs/dbraw/zinc/92/21/19/1348922119.db2.gz GJFLEYWYJJSVHD-UHFFFAOYSA-N -1 3 335.433 2.379 20 30 EEEDHM C=CCCCCCN(c1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001588593658 1348922121 /nfs/dbraw/zinc/92/21/21/1348922121.db2.gz GJFLEYWYJJSVHD-UHFFFAOYSA-N -1 3 335.433 2.379 20 30 EEEDHM C=CCN(C)C(=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001588626890 1348924157 /nfs/dbraw/zinc/92/41/57/1348924157.db2.gz UVLQYPQYLHCXIO-UHFFFAOYSA-N -1 3 349.398 2.132 20 30 EEEDHM C=CCN(C)C(=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001588626890 1348924159 /nfs/dbraw/zinc/92/41/59/1348924159.db2.gz UVLQYPQYLHCXIO-UHFFFAOYSA-N -1 3 349.398 2.132 20 30 EEEDHM C=CCN(C(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC001588626445 1348924548 /nfs/dbraw/zinc/92/45/48/1348924548.db2.gz ZOFFRQZYFSXGRR-UHFFFAOYSA-N -1 3 332.795 2.380 20 30 EEEDHM C=CCN(C(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC001588626445 1348924550 /nfs/dbraw/zinc/92/45/50/1348924550.db2.gz ZOFFRQZYFSXGRR-UHFFFAOYSA-N -1 3 332.795 2.380 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CC[C@H](OC)C1 ZINC001588638634 1348924875 /nfs/dbraw/zinc/92/48/75/1348924875.db2.gz GECXMLRGFPDGHP-CVEARBPZSA-N -1 3 341.415 2.196 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CC[C@H](OC)C1 ZINC001588638634 1348924881 /nfs/dbraw/zinc/92/48/81/1348924881.db2.gz GECXMLRGFPDGHP-CVEARBPZSA-N -1 3 341.415 2.196 20 30 EEEDHM C=CCOCCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001588683139 1348929104 /nfs/dbraw/zinc/92/91/04/1348929104.db2.gz YIXDEIPQGJUTKN-UHFFFAOYSA-N -1 3 342.403 2.458 20 30 EEEDHM C=CCOCCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001588683139 1348929107 /nfs/dbraw/zinc/92/91/07/1348929107.db2.gz YIXDEIPQGJUTKN-UHFFFAOYSA-N -1 3 342.403 2.458 20 30 EEEDHM C=CCc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)n2C)c(OC)c1 ZINC001588694065 1348929204 /nfs/dbraw/zinc/92/92/04/1348929204.db2.gz AJAVSKUCUDUBSG-UHFFFAOYSA-N -1 3 339.355 2.162 20 30 EEEDHM C=CCc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)n2C)c(OC)c1 ZINC001588694065 1348929207 /nfs/dbraw/zinc/92/92/07/1348929207.db2.gz AJAVSKUCUDUBSG-UHFFFAOYSA-N -1 3 339.355 2.162 20 30 EEEDHM CC(=NNC(=S)NCCC(C)C)c1ccccc1-c1nnn[n-]1 ZINC001588776622 1348935136 /nfs/dbraw/zinc/93/51/36/1348935136.db2.gz YDDQYHTZFNILCF-UHFFFAOYSA-N -1 3 331.449 2.101 20 30 EEEDHM CC(=NNC(=S)NCCC(C)C)c1ccccc1-c1nn[n-]n1 ZINC001588776622 1348935139 /nfs/dbraw/zinc/93/51/39/1348935139.db2.gz YDDQYHTZFNILCF-UHFFFAOYSA-N -1 3 331.449 2.101 20 30 EEEDHM CC(C)[C@H](CNc1c(C#N)cccc1-c1nnn[n-]1)c1ccnn1C ZINC001589457027 1348990857 /nfs/dbraw/zinc/99/08/57/1348990857.db2.gz OZCZDJFZPDCVDY-AWEZNQCLSA-N -1 3 336.403 2.324 20 30 EEEDHM CC(C)[C@H](CNc1c(C#N)cccc1-c1nn[n-]n1)c1ccnn1C ZINC001589457027 1348990868 /nfs/dbraw/zinc/99/08/68/1348990868.db2.gz OZCZDJFZPDCVDY-AWEZNQCLSA-N -1 3 336.403 2.324 20 30 EEEDHM C[C@H](NC(=O)C1(C#N)CCSCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589919583 1349062132 /nfs/dbraw/zinc/06/21/32/1349062132.db2.gz RTQRMXCQQDFGHP-NSHDSACASA-N -1 3 342.428 2.081 20 30 EEEDHM C[C@H](NC(=O)C1(C#N)CCSCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589919583 1349062136 /nfs/dbraw/zinc/06/21/36/1349062136.db2.gz RTQRMXCQQDFGHP-NSHDSACASA-N -1 3 342.428 2.081 20 30 EEEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(C)(C)CC#N ZINC001590023287 1349113572 /nfs/dbraw/zinc/11/35/72/1349113572.db2.gz VHANTNGQUCXJIU-NSHDSACASA-N -1 3 329.360 2.117 20 30 EEEDHM CC1(C)CC(CNC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590082126 1349144149 /nfs/dbraw/zinc/14/41/49/1349144149.db2.gz XAJOLHJLXLQTNW-HNNXBMFYSA-N -1 3 338.415 2.101 20 30 EEEDHM CCc1nnc(NCC#C[Si](C)(C)C)c(-c2nnn[n-]2)c1CC ZINC001590932182 1349418132 /nfs/dbraw/zinc/41/81/32/1349418132.db2.gz HHRIYPMTQQAYPD-UHFFFAOYSA-N -1 3 329.484 2.074 20 30 EEEDHM CCc1nnc(NCC#C[Si](C)(C)C)c(-c2nn[n-]n2)c1CC ZINC001590932182 1349418135 /nfs/dbraw/zinc/41/81/35/1349418135.db2.gz HHRIYPMTQQAYPD-UHFFFAOYSA-N -1 3 329.484 2.074 20 30 EEEDHM COc1cc(CNc2ccc(Cl)c(C#N)n2)ccc1-c1nnn[n-]1 ZINC001591536200 1349499963 /nfs/dbraw/zinc/49/99/63/1349499963.db2.gz UPWQTWDIKJVJJF-UHFFFAOYSA-N -1 3 341.762 2.407 20 30 EEEDHM COc1cc(CNc2ccc(Cl)c(C#N)n2)ccc1-c1nn[n-]n1 ZINC001591536200 1349499978 /nfs/dbraw/zinc/49/99/78/1349499978.db2.gz UPWQTWDIKJVJJF-UHFFFAOYSA-N -1 3 341.762 2.407 20 30 EEEDHM COc1cc(CNc2nc(C#N)c(Cl)s2)ccc1-c1nnn[n-]1 ZINC001591537059 1349500898 /nfs/dbraw/zinc/50/08/98/1349500898.db2.gz IKPSIUIEXLFRPM-UHFFFAOYSA-N -1 3 347.791 2.469 20 30 EEEDHM COc1cc(CNc2nc(C#N)c(Cl)s2)ccc1-c1nn[n-]n1 ZINC001591537059 1349500909 /nfs/dbraw/zinc/50/09/09/1349500909.db2.gz IKPSIUIEXLFRPM-UHFFFAOYSA-N -1 3 347.791 2.469 20 30 EEEDHM Cc1cc(C#N)nc(NCc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC001591907028 1349554268 /nfs/dbraw/zinc/55/42/68/1349554268.db2.gz WRXZYVVQEZUTAV-UHFFFAOYSA-N -1 3 326.751 2.102 20 30 EEEDHM Cc1cc(C#N)nc(NCc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC001591907028 1349554280 /nfs/dbraw/zinc/55/42/80/1349554280.db2.gz WRXZYVVQEZUTAV-UHFFFAOYSA-N -1 3 326.751 2.102 20 30 EEEDHM Cc1cc(C#N)cnc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001591906392 1349555343 /nfs/dbraw/zinc/55/53/43/1349555343.db2.gz GLKSWLVZVSEULR-NSHDSACASA-N -1 3 334.339 2.360 20 30 EEEDHM Cc1cc(C#N)cnc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001591906392 1349555348 /nfs/dbraw/zinc/55/53/48/1349555348.db2.gz GLKSWLVZVSEULR-NSHDSACASA-N -1 3 334.339 2.360 20 30 EEEDHM N#Cc1ccc2c(c1)CC[C@H]2Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592697287 1349707939 /nfs/dbraw/zinc/70/79/39/1349707939.db2.gz GDMUPHGVHGOXNR-CYBMUJFWSA-N -1 3 348.326 2.141 20 30 EEEDHM N#Cc1ccc2c(c1)CC[C@H]2Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592697287 1349707941 /nfs/dbraw/zinc/70/79/41/1349707941.db2.gz GDMUPHGVHGOXNR-CYBMUJFWSA-N -1 3 348.326 2.141 20 30 EEEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC001601119655 1350214912 /nfs/dbraw/zinc/21/49/12/1350214912.db2.gz WAPATANIAMTOEW-MCIONIFRSA-N -1 3 342.317 2.319 20 30 EEEDHM C#CCSCC(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001602732932 1350578245 /nfs/dbraw/zinc/57/82/45/1350578245.db2.gz LJRDJYWPOAVKAM-UHFFFAOYSA-N -1 3 335.820 2.239 20 30 EEEDHM C#CCSCC(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001602732932 1350578246 /nfs/dbraw/zinc/57/82/46/1350578246.db2.gz LJRDJYWPOAVKAM-UHFFFAOYSA-N -1 3 335.820 2.239 20 30 EEEDHM C#Cc1cccc(NC(=O)CN(C)C[C@@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC001602742256 1350579441 /nfs/dbraw/zinc/57/94/41/1350579441.db2.gz LQYTXDFFYFTNDD-DOTOQJQBSA-N -1 3 328.412 2.429 20 30 EEEDHM C=C(C)CCC(=O)NC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001602759333 1350582949 /nfs/dbraw/zinc/58/29/49/1350582949.db2.gz GCUJDOPCSFHHLB-SNVBAGLBSA-N -1 3 349.826 2.188 20 30 EEEDHM C=C(C)CCC(=O)NC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001602759333 1350582951 /nfs/dbraw/zinc/58/29/51/1350582951.db2.gz GCUJDOPCSFHHLB-SNVBAGLBSA-N -1 3 349.826 2.188 20 30 EEEDHM C=C(CCC(=O)[O-])C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC001602785845 1350586405 /nfs/dbraw/zinc/58/64/05/1350586405.db2.gz MBWQTUGVGKRWMG-UHFFFAOYSA-N -1 3 331.416 2.188 20 30 EEEDHM C=C[C@@H](C)NC(=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001602797652 1350587359 /nfs/dbraw/zinc/58/73/59/1350587359.db2.gz IIBRXJXCMKSJLG-GFCCVEGCSA-N -1 3 349.398 2.178 20 30 EEEDHM C=C[C@@H](C)NC(=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001602797652 1350587362 /nfs/dbraw/zinc/58/73/62/1350587362.db2.gz IIBRXJXCMKSJLG-GFCCVEGCSA-N -1 3 349.398 2.178 20 30 EEEDHM C=CCC(C)(C)CNC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001602808702 1350589937 /nfs/dbraw/zinc/58/99/37/1350589937.db2.gz JNVHIOAVHDZGNA-LBPRGKRZSA-N -1 3 329.404 2.353 20 30 EEEDHM C=CCCC(=O)N(C)C[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001602822613 1350591044 /nfs/dbraw/zinc/59/10/44/1350591044.db2.gz CTYSAWQEMVDSKG-NSHDSACASA-N -1 3 332.383 2.231 20 30 EEEDHM C=CCCC(=O)N(C)C[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001602822613 1350591045 /nfs/dbraw/zinc/59/10/45/1350591045.db2.gz CTYSAWQEMVDSKG-NSHDSACASA-N -1 3 332.383 2.231 20 30 EEEDHM C=CCCCC(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001602832341 1350593370 /nfs/dbraw/zinc/59/33/70/1350593370.db2.gz PCKAMCZJBQWVKI-CQSZACIVSA-N -1 3 341.419 2.021 20 30 EEEDHM C=CCCCC(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001602832341 1350593375 /nfs/dbraw/zinc/59/33/75/1350593375.db2.gz PCKAMCZJBQWVKI-CQSZACIVSA-N -1 3 341.419 2.021 20 30 EEEDHM C=CCCCCCNC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001602838359 1350594865 /nfs/dbraw/zinc/59/48/65/1350594865.db2.gz UUOIZYYFGMVUDM-UHFFFAOYSA-N -1 3 344.419 2.421 20 30 EEEDHM C=CCCCCCNC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001602838359 1350594868 /nfs/dbraw/zinc/59/48/68/1350594868.db2.gz UUOIZYYFGMVUDM-UHFFFAOYSA-N -1 3 344.419 2.421 20 30 EEEDHM CC(C)(C(=O)N1CCC[C@@H](CC#N)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001603038483 1350625363 /nfs/dbraw/zinc/62/53/63/1350625363.db2.gz YIBUJADQGAOYOY-ZDUSSCGKSA-N -1 3 338.415 2.297 20 30 EEEDHM CC(C)(C(=O)N1CCC[C@@H](CC#N)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603038483 1350625368 /nfs/dbraw/zinc/62/53/68/1350625368.db2.gz YIBUJADQGAOYOY-ZDUSSCGKSA-N -1 3 338.415 2.297 20 30 EEEDHM C[C@@H]1CC(NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)C[C@@H](C)O1 ZINC001603861917 1350785283 /nfs/dbraw/zinc/78/52/83/1350785283.db2.gz OLSWJGYYJGBFOK-GHMZBOCLSA-N -1 3 339.403 2.228 20 30 EEEDHM C[C@@H]1CC(NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)C[C@@H](C)O1 ZINC001603861917 1350785285 /nfs/dbraw/zinc/78/52/85/1350785285.db2.gz OLSWJGYYJGBFOK-GHMZBOCLSA-N -1 3 339.403 2.228 20 30 EEEDHM C[C@@H]1CCCC[C@@H]1NC(=S)NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001603890257 1350794748 /nfs/dbraw/zinc/79/47/48/1350794748.db2.gz JBUPHKSETBNWFV-RISCZKNCSA-N -1 3 343.460 2.243 20 30 EEEDHM C[C@@H]1CCCC[C@@H]1NC(=S)NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603890257 1350794753 /nfs/dbraw/zinc/79/47/53/1350794753.db2.gz JBUPHKSETBNWFV-RISCZKNCSA-N -1 3 343.460 2.243 20 30 EEEDHM CCN(CCC#N)C(=O)CSc1c(C)cccc1-c1nnn[n-]1 ZINC001604289857 1350910360 /nfs/dbraw/zinc/91/03/60/1350910360.db2.gz PJYUDXIDJYKUNI-UHFFFAOYSA-N -1 3 330.417 2.029 20 30 EEEDHM CCN(CCC#N)C(=O)CSc1c(C)cccc1-c1nn[n-]n1 ZINC001604289857 1350910361 /nfs/dbraw/zinc/91/03/61/1350910361.db2.gz PJYUDXIDJYKUNI-UHFFFAOYSA-N -1 3 330.417 2.029 20 30 EEEDHM COc1cc(C#N)cc(OCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC001605191341 1351099805 /nfs/dbraw/zinc/09/98/05/1351099805.db2.gz NXKMQVDSPMEUOR-UHFFFAOYSA-N -1 3 337.339 2.205 20 30 EEEDHM COc1cc(C#N)cc(OCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC001605191341 1351099808 /nfs/dbraw/zinc/09/98/08/1351099808.db2.gz NXKMQVDSPMEUOR-UHFFFAOYSA-N -1 3 337.339 2.205 20 30 EEEDHM Cc1sc(NC(=O)c2ncc(C#N)cc2C)c(-c2nnn[n-]2)c1C ZINC001605589313 1351196290 /nfs/dbraw/zinc/19/62/90/1351196290.db2.gz WOZSGRQRSRJTCB-UHFFFAOYSA-N -1 3 339.384 2.372 20 30 EEEDHM Cc1sc(NC(=O)c2ncc(C#N)cc2C)c(-c2nn[n-]n2)c1C ZINC001605589313 1351196291 /nfs/dbraw/zinc/19/62/91/1351196291.db2.gz WOZSGRQRSRJTCB-UHFFFAOYSA-N -1 3 339.384 2.372 20 30 EEEDHM Cc1cc(C(=O)N(CCC#N)CC(C)C)cc(C)c1-c1nnn[n-]1 ZINC001605593048 1351196746 /nfs/dbraw/zinc/19/67/46/1351196746.db2.gz CZNRPBNOCMEEEN-UHFFFAOYSA-N -1 3 326.404 2.495 20 30 EEEDHM Cc1cc(C(=O)N(CCC#N)CC(C)C)cc(C)c1-c1nn[n-]n1 ZINC001605593048 1351196749 /nfs/dbraw/zinc/19/67/49/1351196749.db2.gz CZNRPBNOCMEEEN-UHFFFAOYSA-N -1 3 326.404 2.495 20 30 EEEDHM Cc1ccc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)c(C)n1 ZINC001605860048 1351239240 /nfs/dbraw/zinc/23/92/40/1351239240.db2.gz YJFMEPGNZQOBKO-UHFFFAOYSA-N -1 3 338.400 2.020 20 30 EEEDHM Cc1ccc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)c(C)n1 ZINC001605860048 1351239244 /nfs/dbraw/zinc/23/92/44/1351239244.db2.gz YJFMEPGNZQOBKO-UHFFFAOYSA-N -1 3 338.400 2.020 20 30 EEEDHM Cc1nn(CCC#N)c(C)c1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC001606114570 1351272899 /nfs/dbraw/zinc/27/28/99/1351272899.db2.gz WDWLYQXVTJJFCB-UHFFFAOYSA-N -1 3 341.350 2.312 20 30 EEEDHM Cc1nn(CCC#N)c(C)c1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC001606114570 1351272903 /nfs/dbraw/zinc/27/29/03/1351272903.db2.gz WDWLYQXVTJJFCB-UHFFFAOYSA-N -1 3 341.350 2.312 20 30 EEEDHM N#Cc1cc(NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c(F)cc1F ZINC001606361530 1351297249 /nfs/dbraw/zinc/29/72/49/1351297249.db2.gz SNRQASBMHDFQNT-UHFFFAOYSA-N -1 3 344.256 2.408 20 30 EEEDHM N#Cc1cc(NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c(F)cc1F ZINC001606361530 1351297251 /nfs/dbraw/zinc/29/72/51/1351297251.db2.gz SNRQASBMHDFQNT-UHFFFAOYSA-N -1 3 344.256 2.408 20 30 EEEDHM N#Cc1cccc(N2Cc3ccc(-c4nnn[n-]4)cc3C2)c1[N+](=O)[O-] ZINC001606381568 1351299525 /nfs/dbraw/zinc/29/95/25/1351299525.db2.gz DKSVBGJDTWFWDA-UHFFFAOYSA-N -1 3 333.311 2.167 20 30 EEEDHM N#Cc1cccc(N2Cc3ccc(-c4nn[n-]n4)cc3C2)c1[N+](=O)[O-] ZINC001606381568 1351299528 /nfs/dbraw/zinc/29/95/28/1351299528.db2.gz DKSVBGJDTWFWDA-UHFFFAOYSA-N -1 3 333.311 2.167 20 30 EEEDHM Nc1ncccc1C=[NH+][N-]c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001606456294 1351305663 /nfs/dbraw/zinc/30/56/63/1351305663.db2.gz DVZSAAQEQQGVQG-UHFFFAOYSA-N -1 3 348.292 2.309 20 30 EEEDHM O=C(C=NOCc1cccc(-c2nnn[n-]2)c1)Nc1cccc(F)c1 ZINC001606488368 1351310421 /nfs/dbraw/zinc/31/04/21/1351310421.db2.gz HQSOBPNTPXFQRK-UHFFFAOYSA-N -1 3 340.318 2.147 20 30 EEEDHM O=C(C=NOCc1cccc(-c2nn[n-]n2)c1)Nc1cccc(F)c1 ZINC001606488368 1351310423 /nfs/dbraw/zinc/31/04/23/1351310423.db2.gz HQSOBPNTPXFQRK-UHFFFAOYSA-N -1 3 340.318 2.147 20 30 EEEDHM N#CCN(CCC(=O)[O-])C(=O)c1cccc(CN2CCCCC2)c1 ZINC001608186319 1351642999 /nfs/dbraw/zinc/64/29/99/1351642999.db2.gz JUTSXTWVPGNFBO-UHFFFAOYSA-N -1 3 329.400 2.113 20 30 EEEDHM C[C@@H](CC#N)N(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001646578200 1352873569 /nfs/dbraw/zinc/87/35/69/1352873569.db2.gz JUGHKUPPFOFABA-VIFPVBQESA-N -1 3 329.809 2.086 20 30 EEEDHM C[C@@H](OC(=O)Cc1ccc([O-])c(F)c1)C(=O)NC1(C#N)CCCCC1 ZINC000838142228 1372825958 /nfs/dbraw/zinc/82/59/58/1372825958.db2.gz WUKQDEOXJJJMNF-GFCCVEGCSA-N -1 3 348.374 2.348 20 30 EEEDHM CC(C)n1ncc(C(=O)N[C@@H]2CCCN([O-])C2=O)c1-c1ccccc1 ZINC000848134475 1373086223 /nfs/dbraw/zinc/08/62/23/1373086223.db2.gz WBFCUTGUTMWTDY-OAHLLOKOSA-N -1 3 342.399 2.241 20 30 EEEDHM CC(C)(C)c1ccc([C@@H](O)CCC(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000848134393 1373086354 /nfs/dbraw/zinc/08/63/54/1373086354.db2.gz ULSBPCUCGNHYPF-HOTGVXAUSA-N -1 3 348.443 2.294 20 30 EEEDHM C=CCC[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000849426451 1373258406 /nfs/dbraw/zinc/25/84/06/1373258406.db2.gz YZEHYBHCVVKRBQ-UHFFFAOYSA-N -1 3 338.198 2.451 20 30 EEEDHM CCCN(C(=O)c1ccccc1[O-])[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001387561159 1386842947 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N#CCc1ccc(COC(=O)c2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001592680110 1404714859 /nfs/dbraw/zinc/71/48/59/1404714859.db2.gz NTDLGPLRTBWAHU-UHFFFAOYSA-N -1 3 337.314 2.429 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001592699280 1404718189 /nfs/dbraw/zinc/71/81/89/1404718189.db2.gz VBGTXTVBYHSWJE-CABCVRRESA-N -1 3 338.415 2.381 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001592699280 1404718192 /nfs/dbraw/zinc/71/81/92/1404718192.db2.gz VBGTXTVBYHSWJE-CABCVRRESA-N -1 3 338.415 2.381 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1ccnc(OC(F)F)c1 ZINC001592699852 1404718375 /nfs/dbraw/zinc/71/83/75/1404718375.db2.gz PIWIXJKMKSCSDJ-UHFFFAOYSA-N -1 3 343.297 2.347 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1ccnc(OC(F)F)c1 ZINC001592699852 1404718378 /nfs/dbraw/zinc/71/83/78/1404718378.db2.gz PIWIXJKMKSCSDJ-UHFFFAOYSA-N -1 3 343.297 2.347 20 30 EEEDHM N#CC1(CNc2nc3ccccc3cc2-c2nnn[n-]2)CCOCC1 ZINC001606343224 1404798420 /nfs/dbraw/zinc/79/84/20/1404798420.db2.gz 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C=C(C)[C@@H](CC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1)OCC ZINC000823874451 607920561 /nfs/dbraw/zinc/92/05/61/607920561.db2.gz XBSUEUJTHZEBJJ-OAHLLOKOSA-N -1 3 346.387 2.160 20 30 EEEDHM C#CCOc1cccc(OCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000823861488 607972392 /nfs/dbraw/zinc/97/23/92/607972392.db2.gz KGISKGGULACKSI-UHFFFAOYSA-N -1 3 336.351 2.466 20 30 EEEDHM C#CCOc1cccc(OCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000823861488 607972393 /nfs/dbraw/zinc/97/23/93/607972393.db2.gz KGISKGGULACKSI-UHFFFAOYSA-N -1 3 336.351 2.466 20 30 EEEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cccc(O)c1 ZINC000823958845 608538828 /nfs/dbraw/zinc/53/88/28/608538828.db2.gz YXUUNBGAXDOPRR-UHFFFAOYSA-N -1 3 329.751 2.457 20 30 EEEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cccc(O)c1 ZINC000823958845 608538830 /nfs/dbraw/zinc/53/88/30/608538830.db2.gz YXUUNBGAXDOPRR-UHFFFAOYSA-N -1 3 329.751 2.457 20 30 EEEDHM N#Cc1cccc(C(=O)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1 ZINC000826386865 608572479 /nfs/dbraw/zinc/57/24/79/608572479.db2.gz 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EEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)NCc1ccc(C#N)cc1 ZINC001580612564 1344543370 /nfs/dbraw/zinc/54/33/70/1344543370.db2.gz VDWDLOBIHUTWDX-UHFFFAOYSA-N -1 3 332.367 2.285 20 30 EEEDHM N#CCc1ccc(C(=O)N2CCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001581858620 1344679638 /nfs/dbraw/zinc/67/96/38/1344679638.db2.gz NPTBIQPRKHDTCA-UHFFFAOYSA-N -1 3 330.351 2.136 20 30 EEEDHM N#CCc1ccc(C(=O)N2CCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001581858620 1344679641 /nfs/dbraw/zinc/67/96/41/1344679641.db2.gz NPTBIQPRKHDTCA-UHFFFAOYSA-N -1 3 330.351 2.136 20 30 EEEDHM N#CCOc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC001581858348 1344679745 /nfs/dbraw/zinc/67/97/45/1344679745.db2.gz BSTHOBSUCHQQLS-UHFFFAOYSA-N -1 3 338.302 2.160 20 30 EEEDHM N#CCOc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC001581858348 1344679749 /nfs/dbraw/zinc/67/97/49/1344679749.db2.gz BSTHOBSUCHQQLS-UHFFFAOYSA-N -1 3 338.302 2.160 20 30 EEEDHM N#Cc1cc(C(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)ccc1F ZINC001581864507 1344681703 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C#C[C@@H](NC(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001588329660 1348887830 /nfs/dbraw/zinc/88/78/30/1348887830.db2.gz KXBIQUPOFJFFEX-OAHLLOKOSA-N -1 3 340.431 2.099 20 30 EEEDHM C#C[C@@H](NC(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001588329660 1348887831 /nfs/dbraw/zinc/88/78/31/1348887831.db2.gz KXBIQUPOFJFFEX-OAHLLOKOSA-N -1 3 340.431 2.099 20 30 EEEDHM C#CCC1(NC(=O)NCc2ccc(-c3nnn[n-]3)s2)CCCCC1 ZINC001588335031 1348890633 /nfs/dbraw/zinc/89/06/33/1348890633.db2.gz UUZCMXISZNKEBD-UHFFFAOYSA-N -1 3 344.444 2.454 20 30 EEEDHM C#CCn1ccc(CN(CC)c2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC001588363851 1348896176 /nfs/dbraw/zinc/89/61/76/1348896176.db2.gz FFTKQNITPDXARF-UHFFFAOYSA-N -1 3 341.806 2.376 20 30 EEEDHM C#CCn1ccc(CN(CC)c2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC001588363851 1348896180 /nfs/dbraw/zinc/89/61/80/1348896180.db2.gz FFTKQNITPDXARF-UHFFFAOYSA-N -1 3 341.806 2.376 20 30 EEEDHM C#Cc1ccc(NC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC001588374912 1348897898 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340.309 2.345 20 30 EEEDHM CC#CCCNC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588746189 1348931296 /nfs/dbraw/zinc/93/12/96/1348931296.db2.gz MZKZOTSQVUMFJO-UHFFFAOYSA-N -1 3 326.404 2.202 20 30 EEEDHM CC#CCCNC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588746189 1348931299 /nfs/dbraw/zinc/93/12/99/1348931299.db2.gz MZKZOTSQVUMFJO-UHFFFAOYSA-N -1 3 326.404 2.202 20 30 EEEDHM CC(C)(C)c1ccc(N=NCc2cc(-c3nnn[n-]3)cs2)nn1 ZINC001589226803 1348972487 /nfs/dbraw/zinc/97/24/87/1348972487.db2.gz DVKMJPSYTSYZGN-UHFFFAOYSA-N -1 3 328.405 2.462 20 30 EEEDHM CC(C)(C)c1ccc(N=NCc2cc(-c3nn[n-]n3)cs2)nn1 ZINC001589226803 1348972490 /nfs/dbraw/zinc/97/24/90/1348972490.db2.gz DVKMJPSYTSYZGN-UHFFFAOYSA-N -1 3 328.405 2.462 20 30 EEEDHM C[C@H](CC#N)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC001589788133 1349042792 /nfs/dbraw/zinc/04/27/92/1349042792.db2.gz UQUWJJHHLUZOSB-SECBINFHSA-N -1 3 339.384 2.478 20 30 EEEDHM C[C@H](CC#N)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC001589788133 1349042796 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CN(C(=O)c1ccc(C#N)c(Cl)n1)c1ccccc1-c1nn[n-]n1 ZINC001590993138 1349428684 /nfs/dbraw/zinc/42/86/84/1349428684.db2.gz LQNJSOSVLNWAMG-UHFFFAOYSA-N -1 3 339.746 2.063 20 30 EEEDHM C[S@@](=O)c1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001591684438 1349527645 /nfs/dbraw/zinc/52/76/45/1349527645.db2.gz VINYKKYJOHXSDO-HSZRJFAPSA-N -1 3 326.385 2.050 20 30 EEEDHM Cc1cc(C=NNC(=S)NC2CCCCC2)ccc1-c1nnn[n-]1 ZINC001591958673 1349568306 /nfs/dbraw/zinc/56/83/06/1349568306.db2.gz JRBDPFDQLCCSOW-UHFFFAOYSA-N -1 3 343.460 2.306 20 30 EEEDHM Cc1cc(C=NNC(=S)NC2CCCCC2)ccc1-c1nn[n-]n1 ZINC001591958673 1349568313 /nfs/dbraw/zinc/56/83/13/1349568313.db2.gz JRBDPFDQLCCSOW-UHFFFAOYSA-N -1 3 343.460 2.306 20 30 EEEDHM Cn1cc(C=CC(=O)c2cc(-c3nnn[n-]3)ccn2)c(C(C)(C)C)n1 ZINC001592567495 1349659368 /nfs/dbraw/zinc/65/93/68/1349659368.db2.gz ZQXDHISLEWHRRD-AATRIKPKSA-N -1 3 337.387 2.189 20 30 EEEDHM Cn1cc(C=CC(=O)c2cc(-c3nn[n-]n3)ccn2)c(C(C)(C)C)n1 ZINC001592567495 1349659375 /nfs/dbraw/zinc/65/93/75/1349659375.db2.gz 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-1 3 335.371 2.012 20 30 EEEDHM C=CC[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)cc2OC)C1 ZINC001588559067 1348917105 /nfs/dbraw/zinc/91/71/05/1348917105.db2.gz HARIJCYWAUQWHJ-GFCCVEGCSA-N -1 3 327.388 2.304 20 30 EEEDHM C=CC[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC001588559067 1348917107 /nfs/dbraw/zinc/91/71/07/1348917107.db2.gz HARIJCYWAUQWHJ-GFCCVEGCSA-N -1 3 327.388 2.304 20 30 EEEDHM C=CC[C@@H]1CCN1C(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588564930 1348917398 /nfs/dbraw/zinc/91/73/98/1348917398.db2.gz VBLMMJJRMBKZOM-SECBINFHSA-N -1 3 338.293 2.071 20 30 EEEDHM C=CCCC(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C[C@@H]1C ZINC001588566437 1348918073 /nfs/dbraw/zinc/91/80/73/1348918073.db2.gz HMYCOOHHBXXWLM-STQMWFEESA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCC(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C[C@@H]1C ZINC001588566437 1348918078 /nfs/dbraw/zinc/91/80/78/1348918078.db2.gz HMYCOOHHBXXWLM-STQMWFEESA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cc1Br ZINC001588578983 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C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC=CCC1 ZINC001588699768 1348929754 /nfs/dbraw/zinc/92/97/54/1348929754.db2.gz MXKSYWHXRNZVAO-UHFFFAOYSA-N -1 3 334.387 2.078 20 30 EEEDHM C[C@H](CC#N)N(C)C(=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001589786964 1349042653 /nfs/dbraw/zinc/04/26/53/1349042653.db2.gz GZRBHLQKDKFOJY-MRVPVSSYSA-N -1 3 349.192 2.003 20 30 EEEDHM C[C@H](CC#N)N(C)C(=O)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001589786964 1349042658 /nfs/dbraw/zinc/04/26/58/1349042658.db2.gz GZRBHLQKDKFOJY-MRVPVSSYSA-N -1 3 349.192 2.003 20 30 EEEDHM C[C@@H](CC#N)C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC001589788347 1349043018 /nfs/dbraw/zinc/04/30/18/1349043018.db2.gz XBILKSUHIHTJSP-QMMMGPOBSA-N -1 3 337.286 2.061 20 30 EEEDHM C[C@@H](CC#N)C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC001589788347 1349043023 /nfs/dbraw/zinc/04/30/23/1349043023.db2.gz XBILKSUHIHTJSP-QMMMGPOBSA-N -1 3 337.286 2.061 20 30 EEEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CC#N)c1ccccc1 ZINC001590020041 1349112076 /nfs/dbraw/zinc/11/20/76/1349112076.db2.gz IYTBMKKDRHDCSN-CYBMUJFWSA-N -1 3 348.366 2.191 20 30 EEEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(C#N)cc1 ZINC001590024918 1349114374 /nfs/dbraw/zinc/11/43/74/1349114374.db2.gz PHCOWXDHNMKLCZ-NSHDSACASA-N -1 3 334.339 2.144 20 30 EEEDHM C[C@@]1(C#N)CCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001590054789 1349132642 /nfs/dbraw/zinc/13/26/42/1349132642.db2.gz NUMLGBARIOMQNQ-AWEZNQCLSA-N -1 3 347.835 2.452 20 30 EEEDHM C[C@@]1(C#N)CCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001590054789 1349132648 /nfs/dbraw/zinc/13/26/48/1349132648.db2.gz NUMLGBARIOMQNQ-AWEZNQCLSA-N -1 3 347.835 2.452 20 30 EEEDHM CC1(C)C[C@@H](NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)CCO1 ZINC001590083858 1349145336 /nfs/dbraw/zinc/14/53/36/1349145336.db2.gz LPLYZLOUZWCNSG-ZDUSSCGKSA-N -1 3 339.403 2.229 20 30 EEEDHM CC1(C)C[C@@H](NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)CCO1 ZINC001590083858 1349145341 /nfs/dbraw/zinc/14/53/41/1349145341.db2.gz LPLYZLOUZWCNSG-ZDUSSCGKSA-N -1 3 339.403 2.229 20 30 EEEDHM CC1(C)CCCN(CCOc2ccccc2-c2nnn[n-]2)[C@H]1C#N ZINC001590096322 1349152295 /nfs/dbraw/zinc/15/22/95/1349152295.db2.gz FDPVQIILCKOAPX-HNNXBMFYSA-N -1 3 326.404 2.260 20 30 EEEDHM CC1(C)CCCN(CCOc2ccccc2-c2nn[n-]n2)[C@H]1C#N ZINC001590096322 1349152299 /nfs/dbraw/zinc/15/22/99/1349152299.db2.gz FDPVQIILCKOAPX-HNNXBMFYSA-N -1 3 326.404 2.260 20 30 EEEDHM CC1(C)CCCN(CCOc2ccccc2-c2nnn[n-]2)[C@@H]1C#N ZINC001590096323 1349153375 /nfs/dbraw/zinc/15/33/75/1349153375.db2.gz FDPVQIILCKOAPX-OAHLLOKOSA-N -1 3 326.404 2.260 20 30 EEEDHM CC1(C)CCCN(CCOc2ccccc2-c2nn[n-]n2)[C@@H]1C#N ZINC001590096323 1349153382 /nfs/dbraw/zinc/15/33/82/1349153382.db2.gz FDPVQIILCKOAPX-OAHLLOKOSA-N -1 3 326.404 2.260 20 30 EEEDHM C[C@H]1CCc2nc(NC(=O)CC3(C#N)CC3)c(-c3nnn[n-]3)cc2C1 ZINC001590283034 1349246848 /nfs/dbraw/zinc/24/68/48/1349246848.db2.gz RZHXXXNFSNTQHS-JTQLQIEISA-N -1 3 337.387 2.019 20 30 EEEDHM C[C@H]1CCc2nc(NC(=O)CC3(C#N)CC3)c(-c3nn[n-]n3)cc2C1 ZINC001590283034 1349246853 /nfs/dbraw/zinc/24/68/53/1349246853.db2.gz RZHXXXNFSNTQHS-JTQLQIEISA-N -1 3 337.387 2.019 20 30 EEEDHM CCC#C[C@H](C)Sc1nc(C(=O)OCC)ccc1-c1nnn[n-]1 ZINC001590355683 1349282127 /nfs/dbraw/zinc/28/21/27/1349282127.db2.gz UAJKTSQXCNNVSW-JTQLQIEISA-N -1 3 331.401 2.332 20 30 EEEDHM CCC#C[C@H](C)Sc1nc(C(=O)OCC)ccc1-c1nn[n-]n1 ZINC001590355683 1349282131 /nfs/dbraw/zinc/28/21/31/1349282131.db2.gz UAJKTSQXCNNVSW-JTQLQIEISA-N -1 3 331.401 2.332 20 30 EEEDHM CCNc1ccc(C#N)cc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001590748360 1349395848 /nfs/dbraw/zinc/39/58/48/1349395848.db2.gz QFTBJFSODHIHFK-UHFFFAOYSA-N -1 3 339.384 2.484 20 30 EEEDHM CCNc1ccc(C#N)cc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001590748360 1349395852 /nfs/dbraw/zinc/39/58/52/1349395852.db2.gz QFTBJFSODHIHFK-UHFFFAOYSA-N -1 3 339.384 2.484 20 30 EEEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)N(C[C@@H](C)C#N)C1CC1 ZINC001591984432 1349577153 /nfs/dbraw/zinc/57/71/53/1349577153.db2.gz NKDLMDMGMIWCDA-VIFPVBQESA-N -1 3 343.366 2.470 20 30 EEEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)N(C[C@@H](C)C#N)C1CC1 ZINC001591984432 1349577163 /nfs/dbraw/zinc/57/71/63/1349577163.db2.gz NKDLMDMGMIWCDA-VIFPVBQESA-N -1 3 343.366 2.470 20 30 EEEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N1Cc2cccc(C#N)c2C1 ZINC001592097776 1349590816 /nfs/dbraw/zinc/59/08/16/1349590816.db2.gz VSXXMRVOSRAXFH-UHFFFAOYSA-N -1 3 330.351 2.203 20 30 EEEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N1Cc2cccc(C#N)c2C1 ZINC001592097776 1349590819 /nfs/dbraw/zinc/59/08/19/1349590819.db2.gz VSXXMRVOSRAXFH-UHFFFAOYSA-N -1 3 330.351 2.203 20 30 EEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC001592340903 1349623224 /nfs/dbraw/zinc/62/32/24/1349623224.db2.gz LPFLNGSERQEXON-DGCLKSJQSA-N -1 3 341.325 2.292 20 30 EEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC001592340903 1349623227 /nfs/dbraw/zinc/62/32/27/1349623227.db2.gz LPFLNGSERQEXON-DGCLKSJQSA-N -1 3 341.325 2.292 20 30 EEEDHM Cc1nc(NCc2cncc(-c3nnn[n-]3)c2)c(Cl)cc1C#N ZINC001592394392 1349627027 /nfs/dbraw/zinc/62/70/27/1349627027.db2.gz SLKCYBOIYVOTDU-UHFFFAOYSA-N -1 3 326.751 2.102 20 30 EEEDHM Cc1nc(NCc2cncc(-c3nn[n-]n3)c2)c(Cl)cc1C#N ZINC001592394392 1349627028 /nfs/dbraw/zinc/62/70/28/1349627028.db2.gz SLKCYBOIYVOTDU-UHFFFAOYSA-N -1 3 326.751 2.102 20 30 EEEDHM N#Cc1ncn(CCc2cccc(OC(F)(F)F)c2)c1-c1nnn[n-]1 ZINC001592709553 1349710302 /nfs/dbraw/zinc/71/03/02/1349710302.db2.gz JIVAHVSYXCGBDN-UHFFFAOYSA-N -1 3 349.276 2.076 20 30 EEEDHM O=C(NCC#Cc1ccccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001593005291 1349733383 /nfs/dbraw/zinc/73/33/83/1349733383.db2.gz RNVCJMXUTQIOOZ-UHFFFAOYSA-N -1 3 337.770 2.302 20 30 EEEDHM O=C(NCC#Cc1ccccc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001593005291 1349733386 /nfs/dbraw/zinc/73/33/86/1349733386.db2.gz RNVCJMXUTQIOOZ-UHFFFAOYSA-N -1 3 337.770 2.302 20 30 EEEDHM O=C1C=COC2(CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)C1 ZINC001593378601 1349795389 /nfs/dbraw/zinc/79/53/89/1349795389.db2.gz VSQUVZLZKDASSV-UHFFFAOYSA-N -1 3 345.790 2.362 20 30 EEEDHM O=C1C=COC2(CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)C1 ZINC001593378601 1349795392 /nfs/dbraw/zinc/79/53/92/1349795392.db2.gz VSQUVZLZKDASSV-UHFFFAOYSA-N -1 3 345.790 2.362 20 30 EEEDHM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2N1CCOc1ccccc1C#N ZINC001594338702 1349875142 /nfs/dbraw/zinc/87/51/42/1349875142.db2.gz CQNXVZVUQMVPEZ-IRWJRLHMSA-N -1 3 330.384 2.032 20 30 EEEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601047086 1350197061 /nfs/dbraw/zinc/19/70/61/1350197061.db2.gz IICIKQSIQOPHPI-XKSSXDPKSA-N -1 3 338.722 2.237 20 30 EEEDHM N#CCCC[C@H](N)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001601067093 1350201404 /nfs/dbraw/zinc/20/14/04/1350201404.db2.gz TVYADBKGEFVBDH-AWEZNQCLSA-N -1 3 341.367 2.263 20 30 EEEDHM N#Cc1ccc([C@@H](O)CN2CCC(c3cc(C(=O)[O-])on3)CC2)cc1 ZINC001601096078 1350208678 /nfs/dbraw/zinc/20/86/78/1350208678.db2.gz NNKWCXZGUBXFKC-INIZCTEOSA-N -1 3 341.367 2.157 20 30 EEEDHM N#Cc1ccc(NC(=O)CN2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cc1 ZINC001601106817 1350210790 /nfs/dbraw/zinc/21/07/90/1350210790.db2.gz FLDHZZGLYKXQII-IXDOHACOSA-N -1 3 341.411 2.462 20 30 EEEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CCC(Oc3cnccn3)CC2)c1 ZINC001601117278 1350213800 /nfs/dbraw/zinc/21/38/00/1350213800.db2.gz APYHVLDTKHWGFO-QGZVFWFLSA-N -1 3 338.367 2.017 20 30 EEEDHM C#C[C@@H](CC)Nc1c(-c2nnn[n-]2)cnc2c(OC)cc(OC)cc21 ZINC001602687792 1350572977 /nfs/dbraw/zinc/57/29/77/1350572977.db2.gz DXDJLBQEULSULX-JTQLQIEISA-N -1 3 338.371 2.256 20 30 EEEDHM C#C[C@@H](CC)Nc1c(-c2nn[n-]n2)cnc2c(OC)cc(OC)cc21 ZINC001602687792 1350572980 /nfs/dbraw/zinc/57/29/80/1350572980.db2.gz DXDJLBQEULSULX-JTQLQIEISA-N -1 3 338.371 2.256 20 30 EEEDHM C=C(C)[C@H](CO)Sc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC001602752532 1350581712 /nfs/dbraw/zinc/58/17/12/1350581712.db2.gz DDLGJZWYKYDQJR-QMMMGPOBSA-N -1 3 331.323 2.310 20 30 EEEDHM C=C(C)[C@H](CO)Sc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC001602752532 1350581713 /nfs/dbraw/zinc/58/17/13/1350581713.db2.gz DDLGJZWYKYDQJR-QMMMGPOBSA-N -1 3 331.323 2.310 20 30 EEEDHM C=C(C)CN(CC)C(=O)COc1ccc(-c2nnn[n-]2)cc1Cl ZINC001602758171 1350583066 /nfs/dbraw/zinc/58/30/66/1350583066.db2.gz CMMFASNENFQAIG-UHFFFAOYSA-N -1 3 335.795 2.324 20 30 EEEDHM C=C(C)CN(CC)C(=O)COc1ccc(-c2nn[n-]n2)cc1Cl ZINC001602758171 1350583070 /nfs/dbraw/zinc/58/30/70/1350583070.db2.gz CMMFASNENFQAIG-UHFFFAOYSA-N -1 3 335.795 2.324 20 30 EEEDHM C=C(C)CS(=O)(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001602763550 1350583327 /nfs/dbraw/zinc/58/33/27/1350583327.db2.gz RFVNRWFVPNWTKJ-LBPRGKRZSA-N -1 3 335.433 2.156 20 30 EEEDHM C=C(C)CS(=O)(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001602763550 1350583330 /nfs/dbraw/zinc/58/33/30/1350583330.db2.gz RFVNRWFVPNWTKJ-LBPRGKRZSA-N -1 3 335.433 2.156 20 30 EEEDHM C=C(CNC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001602767469 1350584069 /nfs/dbraw/zinc/58/40/69/1350584069.db2.gz HKKFUKLUJCBJRG-AWEZNQCLSA-N -1 3 349.394 2.464 20 30 EEEDHM C=C(CNC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001602767469 1350584073 /nfs/dbraw/zinc/58/40/73/1350584073.db2.gz HKKFUKLUJCBJRG-AWEZNQCLSA-N -1 3 349.394 2.464 20 30 EEEDHM C=C[C@H](CC)CC(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602799440 1350587461 /nfs/dbraw/zinc/58/74/61/1350587461.db2.gz BFPHCZHHCCDIBB-CQSZACIVSA-N -1 3 343.431 2.444 20 30 EEEDHM C=C[C@H](CC)CC(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602799440 1350587466 /nfs/dbraw/zinc/58/74/66/1350587466.db2.gz BFPHCZHHCCDIBB-CQSZACIVSA-N -1 3 343.431 2.444 20 30 EEEDHM C=CCC(C)(C)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1 ZINC001602808644 1350589666 /nfs/dbraw/zinc/58/96/66/1350589666.db2.gz HLOJTNXBZMMGCH-UHFFFAOYSA-N -1 3 335.433 2.056 20 30 EEEDHM C=CCC(C)(C)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1 ZINC001602808644 1350589667 /nfs/dbraw/zinc/58/96/67/1350589667.db2.gz HLOJTNXBZMMGCH-UHFFFAOYSA-N -1 3 335.433 2.056 20 30 EEEDHM C=CC[C@H]1CCCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001602824497 1350591946 /nfs/dbraw/zinc/59/19/46/1350591946.db2.gz RDEHRDBVLUDQAL-JTQLQIEISA-N -1 3 332.795 2.343 20 30 EEEDHM C=CC[C@H]1CCCN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001602824497 1350591951 /nfs/dbraw/zinc/59/19/51/1350591951.db2.gz RDEHRDBVLUDQAL-JTQLQIEISA-N -1 3 332.795 2.343 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1cccnc1 ZINC001602854183 1350596282 /nfs/dbraw/zinc/59/62/82/1350596282.db2.gz XGWAUQJBBDTAQD-CMDGGOBGSA-N -1 3 346.394 2.490 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1cccnc1 ZINC001602854183 1350596286 /nfs/dbraw/zinc/59/62/86/1350596286.db2.gz XGWAUQJBBDTAQD-CMDGGOBGSA-N -1 3 346.394 2.490 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@H](CC)C(=O)OCC ZINC001602858214 1350597034 /nfs/dbraw/zinc/59/70/34/1350597034.db2.gz JYIFHIICOQNPMQ-OAHLLOKOSA-N -1 3 329.404 2.196 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@H](CC)C(=O)OCC ZINC001602858214 1350597036 /nfs/dbraw/zinc/59/70/36/1350597036.db2.gz JYIFHIICOQNPMQ-OAHLLOKOSA-N -1 3 329.404 2.196 20 30 EEEDHM CC#CCCCC(=O)NC(C)(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602891444 1350600648 /nfs/dbraw/zinc/60/06/48/1350600648.db2.gz DEUFPLUESCDSBI-UHFFFAOYSA-N -1 3 325.416 2.498 20 30 EEEDHM CC#CCCCC(=O)NC(C)(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602891444 1350600654 /nfs/dbraw/zinc/60/06/54/1350600654.db2.gz DEUFPLUESCDSBI-UHFFFAOYSA-N -1 3 325.416 2.498 20 30 EEEDHM C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001603138895 1350647955 /nfs/dbraw/zinc/64/79/55/1350647955.db2.gz XHBAAZTZTBNTTB-IIAWOOMASA-N -1 3 329.400 2.117 20 30 EEEDHM C[C@H](CNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001603521789 1350715974 /nfs/dbraw/zinc/71/59/74/1350715974.db2.gz ZHTZTHOYKNWGNU-IUODEOHRSA-N -1 3 340.431 2.347 20 30 EEEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H](C#N)C(C)(C)C ZINC001603711834 1350748537 /nfs/dbraw/zinc/74/85/37/1350748537.db2.gz DTPUUPYXVGIWEA-GXFFZTMASA-N -1 3 329.360 2.115 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(F)cc1C#N ZINC001605162698 1351092403 /nfs/dbraw/zinc/09/24/03/1351092403.db2.gz XRPXAGMQPGLCGI-UHFFFAOYSA-N -1 3 338.302 2.138 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(F)cc1C#N ZINC001605162698 1351092406 /nfs/dbraw/zinc/09/24/06/1351092406.db2.gz XRPXAGMQPGLCGI-UHFFFAOYSA-N -1 3 338.302 2.138 20 30 EEEDHM Cc1cc(C#N)cc(N2CCO[C@@H](c3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC001605588924 1351195803 /nfs/dbraw/zinc/19/58/03/1351195803.db2.gz ODYKJAWKMSJUJO-MRXNPFEDSA-N -1 3 347.382 2.020 20 30 EEEDHM Cc1cc(C#N)cc(N2CCO[C@@H](c3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC001605588924 1351195805 /nfs/dbraw/zinc/19/58/05/1351195805.db2.gz ODYKJAWKMSJUJO-MRXNPFEDSA-N -1 3 347.382 2.020 20 30 EEEDHM Cc1ccc(C(=O)N2CCc3c2cccc3C#N)cc1-c1nnn[n-]1 ZINC001605813284 1351226975 /nfs/dbraw/zinc/22/69/75/1351226975.db2.gz RUMRMBGXLZGTCX-UHFFFAOYSA-N -1 3 330.351 2.250 20 30 EEEDHM Cc1ccc(C(=O)N2CCc3c2cccc3C#N)cc1-c1nn[n-]n1 ZINC001605813284 1351226976 /nfs/dbraw/zinc/22/69/76/1351226976.db2.gz RUMRMBGXLZGTCX-UHFFFAOYSA-N -1 3 330.351 2.250 20 30 EEEDHM Cc1ccc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)c(C)n1 ZINC001605859422 1351239512 /nfs/dbraw/zinc/23/95/12/1351239512.db2.gz DNUMKBCOKFGGTB-UHFFFAOYSA-N -1 3 338.400 2.020 20 30 EEEDHM Cc1ccc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)c(C)n1 ZINC001605859422 1351239513 /nfs/dbraw/zinc/23/95/13/1351239513.db2.gz DNUMKBCOKFGGTB-UHFFFAOYSA-N -1 3 338.400 2.020 20 30 EEEDHM N#CC[C@@H](C(=O)N1CCc2c1cccc2-c1nnn[n-]1)c1ccccc1 ZINC001606346353 1351295766 /nfs/dbraw/zinc/29/57/66/1351295766.db2.gz ZGOYYYSLVIVBTJ-CQSZACIVSA-N -1 3 344.378 2.453 20 30 EEEDHM N#CC[C@@H](C(=O)N1CCc2c1cccc2-c1nn[n-]n1)c1ccccc1 ZINC001606346353 1351295771 /nfs/dbraw/zinc/29/57/71/1351295771.db2.gz ZGOYYYSLVIVBTJ-CQSZACIVSA-N -1 3 344.378 2.453 20 30 EEEDHM Cc1nc(C)c(CC(=O)N(CCC#N)c2ccc(F)cc2)c(=O)[n-]1 ZINC001645553842 1352785798 /nfs/dbraw/zinc/78/57/98/1352785798.db2.gz CLNPVEBZEOLWMA-UHFFFAOYSA-N -1 3 328.347 2.428 20 30 EEEDHM C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)[C@@H]1OCCc2sccc21 ZINC001647207037 1353187776 /nfs/dbraw/zinc/18/77/76/1353187776.db2.gz UGZMFGLDJOOFQH-BONVTDFDSA-N -1 3 348.449 2.489 20 30 EEEDHM COC(=O)c1ccc([O-])c(CN=Nc2nc(-c3cccnc3)no2)c1 ZINC000814947853 1367782057 /nfs/dbraw/zinc/78/20/57/1367782057.db2.gz MVVUKELHTKGLKV-UHFFFAOYSA-N -1 3 339.311 2.070 20 30 EEEDHM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cnc3ccccn23)c1 ZINC001193644642 1368464404 /nfs/dbraw/zinc/46/44/04/1368464404.db2.gz MUXSIKPALGWKDR-UHFFFAOYSA-N -1 3 328.353 2.015 20 30 EEEDHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cc(F)ccc1N(C)C ZINC001364073516 1373582340 /nfs/dbraw/zinc/58/23/40/1373582340.db2.gz NVMXDIASKQBTHF-LLVKDONJSA-N -1 3 348.403 2.198 20 30 EEEDHM N#Cc1c(C#N)c(SCCc2nnn[n-]2)nc2c1CCCCCC2 ZINC001365230652 1373685799 /nfs/dbraw/zinc/68/57/99/1373685799.db2.gz DQLPKSHKTZRJJK-UHFFFAOYSA-N -1 3 339.428 2.332 20 30 EEEDHM N#Cc1c(C#N)c(SCCc2nn[n-]n2)nc2c1CCCCCC2 ZINC001365230652 1373685805 /nfs/dbraw/zinc/68/58/05/1373685805.db2.gz DQLPKSHKTZRJJK-UHFFFAOYSA-N -1 3 339.428 2.332 20 30 EEEDHM C=C(Cl)CNC[C@@H]1[C@@H](C)CCCN1C(=O)c1n[nH]c(C)c1[O-] ZINC001374397144 1376768596 /nfs/dbraw/zinc/76/85/96/1376768596.db2.gz NPNPNMQEPKWDFW-JOYOIKCWSA-N -1 3 326.828 2.007 20 30 EEEDHM C[C@H](C#N)C(=O)NCC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001399508619 1395179354 /nfs/dbraw/zinc/17/93/54/1395179354.db2.gz PFJWHAUGMSDUQF-ZIAGYGMSSA-N -1 3 329.400 2.053 20 30 EEEDHM COc1cc(C(=O)Nc2cccc(C#N)c2C)ccc1-c1nnn[n-]1 ZINC001579916057 1403797766 /nfs/dbraw/zinc/79/77/66/1403797766.db2.gz RKEAFTPGHGMARZ-UHFFFAOYSA-N -1 3 334.339 2.308 20 30 EEEDHM COc1cc(C(=O)Nc2cccc(C#N)c2C)ccc1-c1nn[n-]n1 ZINC001579916057 1403797773 /nfs/dbraw/zinc/79/77/73/1403797773.db2.gz RKEAFTPGHGMARZ-UHFFFAOYSA-N -1 3 334.339 2.308 20 30 EEEDHM COc1cc(OCc2cc(F)ccc2C#N)ccc1-c1nnn[n-]1 ZINC001591552667 1403927313 /nfs/dbraw/zinc/92/73/13/1403927313.db2.gz GHRFIIJAJABRMS-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM COc1cc(OCc2cc(F)ccc2C#N)ccc1-c1nn[n-]n1 ZINC001591552667 1403927322 /nfs/dbraw/zinc/92/73/22/1403927322.db2.gz GHRFIIJAJABRMS-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM N#CC1(C(=O)N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CCCC1 ZINC001592669287 1404710526 /nfs/dbraw/zinc/71/05/26/1404710526.db2.gz NTAXEBPGASTZEB-OAHLLOKOSA-N -1 3 336.399 2.444 20 30 EEEDHM N#CC1(C(=O)N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CCCC1 ZINC001592669287 1404710537 /nfs/dbraw/zinc/71/05/37/1404710537.db2.gz NTAXEBPGASTZEB-OAHLLOKOSA-N -1 3 336.399 2.444 20 30 EEEDHM N#Cc1c(-c2nnn[n-]2)c2c(nc1N1C[C@@H]3C[C@@H]3C1)CCCCCC2 ZINC001606358358 1404802837 /nfs/dbraw/zinc/80/28/37/1404802837.db2.gz NXCHOJRNGWBBFK-TXEJJXNPSA-N -1 3 335.415 2.248 20 30 EEEDHM N#Cc1c(-c2nn[n-]n2)c2c(nc1N1C[C@@H]3C[C@@H]3C1)CCCCCC2 ZINC001606358358 1404802842 /nfs/dbraw/zinc/80/28/42/1404802842.db2.gz NXCHOJRNGWBBFK-TXEJJXNPSA-N -1 3 335.415 2.248 20 30 EEEDHM CC(C)(C)[C@H](CNc1cncc(C#N)n1)NC(=O)c1ccccc1[O-] ZINC001125810780 761689803 /nfs/dbraw/zinc/68/98/03/761689803.db2.gz DHXDWVFFHFZTKY-HNNXBMFYSA-N -1 3 339.399 2.310 20 30 EEEDHM CC(C)C[C@@H](CNc1cnc(C#N)cn1)NC(=O)c1ccccc1[O-] ZINC001104898139 765527223 /nfs/dbraw/zinc/52/72/23/765527223.db2.gz RDDWIQDRIKKCQZ-ZDUSSCGKSA-N -1 3 339.399 2.310 20 30 EEEDHM O=C(COc1ccc(Cl)c2ccccc12)N[C@H]1CCCN([O-])C1=O ZINC000816757671 784244067 /nfs/dbraw/zinc/24/40/67/784244067.db2.gz YUJREEYTXOITOW-AWEZNQCLSA-N -1 3 348.786 2.368 20 30 EEEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000816758591 784246122 /nfs/dbraw/zinc/24/61/22/784246122.db2.gz SMLQCVNPMZDFKB-MRXNPFEDSA-N -1 3 327.384 2.157 20 30 EEEDHM C=C(C)CO[N-]C(=O)Cc1ccc(CC(=O)NOCC(=C)C)cc1 ZINC000846535959 790235545 /nfs/dbraw/zinc/23/55/45/790235545.db2.gz OCFRXGHIIWQJSF-UHFFFAOYSA-N -1 3 332.400 2.019 20 30 EEEDHM CC(=O)Nc1ccc(OC(F)(F)F)cc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001171365110 793200778 /nfs/dbraw/zinc/20/07/78/793200778.db2.gz LJYCHFZTARCUMX-MADCSZMMSA-N -1 3 347.293 2.192 20 30 EEEDHM N#Cc1cccnc1N1CC[C@@]2(CCN(C(=O)c3ccccc3[O-])C2)C1 ZINC001064598596 793456033 /nfs/dbraw/zinc/45/60/33/793456033.db2.gz NLPGTQKACNZPTB-HXUWFJFHSA-N -1 3 348.406 2.401 20 30 EEEDHM C=CCCCC(=O)NCc1ccc([C@H](C)NC(=O)c2cn[n-]n2)cc1 ZINC001060615791 797043075 /nfs/dbraw/zinc/04/30/75/797043075.db2.gz CEKGWLGISQYMLI-ZDUSSCGKSA-N -1 3 341.415 2.268 20 30 EEEDHM CC[C@@]1(C)NC(=O)N(N=Cc2cc(Cl)c([O-])c(OC)c2)C1=O ZINC000916330854 797584718 /nfs/dbraw/zinc/58/47/18/797584718.db2.gz OWNLDXPSICAPQX-CQSZACIVSA-N -1 3 325.752 2.109 20 30 EEEDHM N#C[C@@H](Cc1cccs1)C(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001177916924 799179022 /nfs/dbraw/zinc/17/90/22/799179022.db2.gz MXVLAGJMHMZFQP-SECBINFHSA-N -1 3 340.364 2.423 20 30 EEEDHM C[C@H](Nc1nccnc1C#N)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001065657033 799298938 /nfs/dbraw/zinc/29/89/38/799298938.db2.gz NFFPLOGXNZGSJM-QWHCGFSZSA-N -1 3 337.383 2.017 20 30 EEEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@H](C)N2CCCC2)c(C)c1[O-] ZINC001180584345 800487994 /nfs/dbraw/zinc/48/79/94/800487994.db2.gz UUYHCFKFBDCSKG-LBPRGKRZSA-N -1 3 345.399 2.172 20 30 EEEDHM C=C(Br)CN1CC[C@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001085488970 800620727 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C#Cc1ccc(CNC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588373612 1348895916 /nfs/dbraw/zinc/89/59/16/1348895916.db2.gz OHMNAWNZEFPELN-ZDUSSCGKSA-N -1 3 346.394 2.408 20 30 EEEDHM C=C(C)C(C)(C)C(=O)NC[C@@H](CC)Nc1ncccc1-c1nnn[n-]1 ZINC001588397045 1348900188 /nfs/dbraw/zinc/90/01/88/1348900188.db2.gz VLEHHJRJDSMQLM-GFCCVEGCSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C(C)C(C)(C)C(=O)NC[C@@H](CC)Nc1ncccc1-c1nn[n-]n1 ZINC001588397045 1348900190 /nfs/dbraw/zinc/90/01/90/1348900190.db2.gz VLEHHJRJDSMQLM-GFCCVEGCSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@H](COC)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC001588525366 1348912892 /nfs/dbraw/zinc/91/28/92/1348912892.db2.gz GTCZLACMALELTI-MRVPVSSYSA-N -1 3 342.186 2.104 20 30 EEEDHM C=C[C@H](COC)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC001588525366 1348912896 /nfs/dbraw/zinc/91/28/96/1348912896.db2.gz GTCZLACMALELTI-MRVPVSSYSA-N -1 3 342.186 2.104 20 30 EEEDHM C=C[C@H](CC)OC(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588525604 1348913783 /nfs/dbraw/zinc/91/37/83/1348913783.db2.gz JFDKDPZCRJZEAL-MRVPVSSYSA-N -1 3 327.266 2.402 20 30 EEEDHM C=C[C@H]1CCCCN1C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588527458 1348914081 /nfs/dbraw/zinc/91/40/81/1348914081.db2.gz KRDLMCODLYMVQS-OCCSQVGLSA-N -1 3 327.388 2.201 20 30 EEEDHM C=CC[C@@H](C)NC(=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001588539461 1348914454 /nfs/dbraw/zinc/91/44/54/1348914454.db2.gz LRUORNKOAHFEJH-MRVPVSSYSA-N -1 3 336.193 2.324 20 30 EEEDHM C=CC[C@@H](C)NC(=O)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001588539461 1348914457 /nfs/dbraw/zinc/91/44/57/1348914457.db2.gz LRUORNKOAHFEJH-MRVPVSSYSA-N -1 3 336.193 2.324 20 30 EEEDHM C=CCC(C)(C)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001588539278 1348914737 /nfs/dbraw/zinc/91/47/37/1348914737.db2.gz DTOBBXUWEOJTBE-LLVKDONJSA-N -1 3 343.387 2.339 20 30 EEEDHM C=CCC(C)(C)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001588539278 1348914739 /nfs/dbraw/zinc/91/47/39/1348914739.db2.gz DTOBBXUWEOJTBE-LLVKDONJSA-N -1 3 343.387 2.339 20 30 EEEDHM C=CCOCCCC(=O)Nc1c(-c2nnn[n-]2)c(C)c2ccccn21 ZINC001588682704 1348929385 /nfs/dbraw/zinc/92/93/85/1348929385.db2.gz PSJXDFZUDPPCCD-UHFFFAOYSA-N -1 3 340.387 2.349 20 30 EEEDHM C=CCOCCCC(=O)Nc1c(-c2nn[n-]n2)c(C)c2ccccn21 ZINC001588682704 1348929388 /nfs/dbraw/zinc/92/93/88/1348929388.db2.gz PSJXDFZUDPPCCD-UHFFFAOYSA-N -1 3 340.387 2.349 20 30 EEEDHM CC(=O)NCc1ccc(Nc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001588869718 1348940425 /nfs/dbraw/zinc/94/04/25/1348940425.db2.gz BTHBMALGHIKXLJ-UHFFFAOYSA-N -1 3 333.355 2.118 20 30 EEEDHM CC(=O)NCc1ccc(Nc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001588869718 1348940429 /nfs/dbraw/zinc/94/04/29/1348940429.db2.gz BTHBMALGHIKXLJ-UHFFFAOYSA-N -1 3 333.355 2.118 20 30 EEEDHM CC(C)(C)Oc1ccc(NC(=O)NCCC#N)cc1-c1nnn[n-]1 ZINC001589202696 1348969755 /nfs/dbraw/zinc/96/97/55/1348969755.db2.gz GJJFQTMNWOLQDX-UHFFFAOYSA-N -1 3 329.364 2.079 20 30 EEEDHM CC(C)(C)Oc1ccc(NC(=O)NCCC#N)cc1-c1nn[n-]n1 ZINC001589202696 1348969759 /nfs/dbraw/zinc/96/97/59/1348969759.db2.gz GJJFQTMNWOLQDX-UHFFFAOYSA-N -1 3 329.364 2.079 20 30 EEEDHM C[C@]1(C#N)CCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001590054809 1349134138 /nfs/dbraw/zinc/13/41/38/1349134138.db2.gz NUMLGBARIOMQNQ-CQSZACIVSA-N -1 3 347.835 2.452 20 30 EEEDHM C[C@]1(C#N)CCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001590054809 1349134143 /nfs/dbraw/zinc/13/41/43/1349134143.db2.gz NUMLGBARIOMQNQ-CQSZACIVSA-N -1 3 347.835 2.452 20 30 EEEDHM CC1CC(C#N)(C(=O)N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)C1 ZINC001590180672 1349183852 /nfs/dbraw/zinc/18/38/52/1349183852.db2.gz VWNHULBUOYGTSG-YSTGTXGZSA-N -1 3 336.399 2.300 20 30 EEEDHM CC1CC(C#N)(C(=O)N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC001590180672 1349183855 /nfs/dbraw/zinc/18/38/55/1349183855.db2.gz VWNHULBUOYGTSG-YSTGTXGZSA-N -1 3 336.399 2.300 20 30 EEEDHM CC[C@@](C)(C#N)c1nnc(COc2ccccc2-c2nnn[n-]2)o1 ZINC001590372110 1349288695 /nfs/dbraw/zinc/28/86/95/1349288695.db2.gz OTXPHIZKLXXWBC-HNNXBMFYSA-N -1 3 325.332 2.020 20 30 EEEDHM CC[C@@](C)(C#N)c1nnc(COc2ccccc2-c2nn[n-]n2)o1 ZINC001590372110 1349288696 /nfs/dbraw/zinc/28/86/96/1349288696.db2.gz OTXPHIZKLXXWBC-HNNXBMFYSA-N -1 3 325.332 2.020 20 30 EEEDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CC(C)(C)C#N ZINC001590946980 1349422209 /nfs/dbraw/zinc/42/22/09/1349422209.db2.gz VGPISZKBRXOLNU-UHFFFAOYSA-N -1 3 338.375 2.115 20 30 EEEDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CC(C)(C)C#N ZINC001590946980 1349422214 /nfs/dbraw/zinc/42/22/14/1349422214.db2.gz VGPISZKBRXOLNU-UHFFFAOYSA-N -1 3 338.375 2.115 20 30 EEEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC001591567622 1349508497 /nfs/dbraw/zinc/50/84/97/1349508497.db2.gz HOGNEHPRGNWJSS-JQWIXIFHSA-N -1 3 341.375 2.079 20 30 EEEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC001591567622 1349508506 /nfs/dbraw/zinc/50/85/06/1349508506.db2.gz HOGNEHPRGNWJSS-JQWIXIFHSA-N -1 3 341.375 2.079 20 30 EEEDHM COc1ccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)cc1O ZINC001591582838 1349509613 /nfs/dbraw/zinc/50/96/13/1349509613.db2.gz PRKDFVYPASBFFG-MLPAPPSSSA-N -1 3 334.335 2.403 20 30 EEEDHM COc1ccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)cc1O ZINC001591582838 1349509623 /nfs/dbraw/zinc/50/96/23/1349509623.db2.gz PRKDFVYPASBFFG-MLPAPPSSSA-N -1 3 334.335 2.403 20 30 EEEDHM Cc1cc(C#N)cc(N(C(=O)c2ccc(-c3nnn[n-]3)cc2)C2CC2)n1 ZINC001591905696 1349554634 /nfs/dbraw/zinc/55/46/34/1349554634.db2.gz HCLIIFHFKHPJCF-UHFFFAOYSA-N -1 3 345.366 2.251 20 30 EEEDHM Cc1cc(C#N)cc(N(C(=O)c2ccc(-c3nn[n-]n3)cc2)C2CC2)n1 ZINC001591905696 1349554636 /nfs/dbraw/zinc/55/46/36/1349554636.db2.gz HCLIIFHFKHPJCF-UHFFFAOYSA-N -1 3 345.366 2.251 20 30 EEEDHM Cc1cc(C(=O)N[C@](C)(C#N)C2CCCCC2)ncc1-c1nnn[n-]1 ZINC001591918838 1349558412 /nfs/dbraw/zinc/55/84/12/1349558412.db2.gz JPTFOLQFBCIBCU-QGZVFWFLSA-N -1 3 339.403 2.163 20 30 EEEDHM Cc1cc(C(=O)N[C@](C)(C#N)C2CCCCC2)ncc1-c1nn[n-]n1 ZINC001591918838 1349558419 /nfs/dbraw/zinc/55/84/19/1349558419.db2.gz JPTFOLQFBCIBCU-QGZVFWFLSA-N -1 3 339.403 2.163 20 30 EEEDHM Cc1cc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)ncc1C#N ZINC001592019119 1349582538 /nfs/dbraw/zinc/58/25/38/1349582538.db2.gz DZRARHVDBIYHOA-UHFFFAOYSA-N -1 3 348.370 2.106 20 30 EEEDHM Cc1cc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)ncc1C#N ZINC001592019119 1349582549 /nfs/dbraw/zinc/58/25/49/1349582549.db2.gz DZRARHVDBIYHOA-UHFFFAOYSA-N -1 3 348.370 2.106 20 30 EEEDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC#Cc1ccccc1 ZINC001592437443 1349632135 /nfs/dbraw/zinc/63/21/35/1349632135.db2.gz DOXCRRHGZQFDNK-UHFFFAOYSA-N -1 3 341.378 2.485 20 30 EEEDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC#Cc1ccccc1 ZINC001592437443 1349632136 /nfs/dbraw/zinc/63/21/36/1349632136.db2.gz DOXCRRHGZQFDNK-UHFFFAOYSA-N -1 3 341.378 2.485 20 30 EEEDHM N#C[C@]1(F)CCN(c2ccc(-c3nn[n-]n3)c(Br)c2)C1 ZINC001592670645 1349703677 /nfs/dbraw/zinc/70/36/77/1349703677.db2.gz JEYPACVBMZFUBN-GFCCVEGCSA-N -1 3 337.156 2.071 20 30 EEEDHM N#C[C@]1(F)CCN(c2ccc(-c3nnn[n-]3)c(Br)c2)C1 ZINC001592670645 1349703674 /nfs/dbraw/zinc/70/36/74/1349703674.db2.gz JEYPACVBMZFUBN-GFCCVEGCSA-N -1 3 337.156 2.071 20 30 EEEDHM O=C1c2ccccc2CCN1N=CCCc1ccc(-c2nnn[n-]2)cc1 ZINC001593414116 1349798045 /nfs/dbraw/zinc/79/80/45/1349798045.db2.gz HPPRJSFIQDTAQZ-UHFFFAOYSA-N -1 3 346.394 2.484 20 30 EEEDHM O=C1c2ccccc2CCN1N=CCCc1ccc(-c2nn[n-]n2)cc1 ZINC001593414116 1349798049 /nfs/dbraw/zinc/79/80/49/1349798049.db2.gz HPPRJSFIQDTAQZ-UHFFFAOYSA-N -1 3 346.394 2.484 20 30 EEEDHM N#Cc1ccc(NC(=O)CN2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cc1 ZINC001601106819 1350210853 /nfs/dbraw/zinc/21/08/53/1350210853.db2.gz FLDHZZGLYKXQII-YESZJQIVSA-N -1 3 341.411 2.462 20 30 EEEDHM C#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)ccc1F)c1ccc(F)cc1 ZINC001602687245 1350572908 /nfs/dbraw/zinc/57/29/08/1350572908.db2.gz ATPQWQAZNMFAMN-HNNXBMFYSA-N -1 3 339.305 2.249 20 30 EEEDHM C#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)ccc1F)c1ccc(F)cc1 ZINC001602687245 1350572910 /nfs/dbraw/zinc/57/29/10/1350572910.db2.gz ATPQWQAZNMFAMN-HNNXBMFYSA-N -1 3 339.305 2.249 20 30 EEEDHM C#CCC(C)(C)COC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001602696517 1350575048 /nfs/dbraw/zinc/57/50/48/1350575048.db2.gz KBSCGLDDXDGCPJ-GFCCVEGCSA-N -1 3 328.372 2.227 20 30 EEEDHM C=CC[C@H](C(=O)OC)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001602807765 1350589421 /nfs/dbraw/zinc/58/94/21/1350589421.db2.gz PPOYAENTNINPLC-MRXNPFEDSA-N -1 3 339.399 2.074 20 30 EEEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001602825146 1350592021 /nfs/dbraw/zinc/59/20/21/1350592021.db2.gz VGYDDAUIEFIOQO-CJNGLKHVSA-N -1 3 341.415 2.497 20 30 EEEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001602825146 1350592024 /nfs/dbraw/zinc/59/20/24/1350592024.db2.gz VGYDDAUIEFIOQO-CJNGLKHVSA-N -1 3 341.415 2.497 20 30 EEEDHM C=CC[C@@H]1CCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC001602824515 1350592087 /nfs/dbraw/zinc/59/20/87/1350592087.db2.gz RHTFGYURSGDKCZ-GFCCVEGCSA-N -1 3 328.376 2.448 20 30 EEEDHM C=CC[C@@H]1CCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC001602824515 1350592089 /nfs/dbraw/zinc/59/20/89/1350592089.db2.gz RHTFGYURSGDKCZ-GFCCVEGCSA-N -1 3 328.376 2.448 20 30 EEEDHM C=CCC[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001602832999 1350593286 /nfs/dbraw/zinc/59/32/86/1350593286.db2.gz BLQQAZJWARDGQM-ZDUSSCGKSA-N -1 3 327.388 2.446 20 30 EEEDHM C=CCC[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001602832999 1350593291 /nfs/dbraw/zinc/59/32/91/1350593291.db2.gz BLQQAZJWARDGQM-ZDUSSCGKSA-N -1 3 327.388 2.446 20 30 EEEDHM C=CCCCN(C)C(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001602838408 1350594495 /nfs/dbraw/zinc/59/44/95/1350594495.db2.gz WQBMSTHMFRXBIN-UHFFFAOYSA-N -1 3 329.379 2.462 20 30 EEEDHM C=CCCCN(C)C(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001602838408 1350594500 /nfs/dbraw/zinc/59/45/00/1350594500.db2.gz WQBMSTHMFRXBIN-UHFFFAOYSA-N -1 3 329.379 2.462 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1Cl ZINC001602888689 1350600735 /nfs/dbraw/zinc/60/07/35/1350600735.db2.gz XXQKZJLVDKLQEU-YPMHNXCESA-N -1 3 334.763 2.154 20 30 EEEDHM 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EEEDHM C=CCSc1ccccc1C(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000911218986 787316268 /nfs/dbraw/zinc/31/62/68/787316268.db2.gz CDCHNAYTKQNFHU-UHFFFAOYSA-N -1 3 334.441 2.197 20 30 EEEDHM CC[C@@H](O)[C@H]1CCCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000912128880 787988018 /nfs/dbraw/zinc/98/80/18/787988018.db2.gz KXVCPCNHJZWGDX-IAGOWNOFSA-N -1 3 345.443 2.360 20 30 EEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cn2)ccc1F ZINC000056724147 789449590 /nfs/dbraw/zinc/44/95/90/789449590.db2.gz ALWOHBKEUQLAJM-UHFFFAOYSA-N -1 3 349.387 2.246 20 30 EEEDHM C[C@@H]1CN(C(=O)c2ccccc2[O-])CC[C@H]1Nc1cncc(C#N)n1 ZINC001063683466 791502070 /nfs/dbraw/zinc/50/20/70/791502070.db2.gz MQYSUYJCOYAFBX-IUODEOHRSA-N -1 3 337.383 2.017 20 30 EEEDHM CCOc1cc(C=NNC(=S)NCCCOC)cc(Cl)c1[O-] ZINC000916279796 797570805 /nfs/dbraw/zinc/57/08/05/797570805.db2.gz LLEODLZDMYLLKV-UHFFFAOYSA-N -1 3 345.852 2.279 20 30 EEEDHM CCOC(=O)c1nc(C2CC2)oc1[N-]C(=O)/C(=N\OC)c1ccco1 ZINC001177348705 798901475 /nfs/dbraw/zinc/90/14/75/798901475.db2.gz 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N#Cc1ccc(Cl)cc1NC(=O)CN1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC001601103873 1350210425 /nfs/dbraw/zinc/21/04/25/1350210425.db2.gz SAYORJXVIVKVHC-GHJWDPDVSA-N -1 3 347.802 2.335 20 30 EEEDHM Brc1cc(NN=Cc2ccccc2-c2nnn[n-]2)ccn1 ZINC001602670109 1350570438 /nfs/dbraw/zinc/57/04/38/1350570438.db2.gz CYGAZYLISJFZHA-UHFFFAOYSA-N -1 3 344.176 2.470 20 30 EEEDHM Brc1cc(NN=Cc2ccccc2-c2nn[n-]n2)ccn1 ZINC001602670109 1350570440 /nfs/dbraw/zinc/57/04/40/1350570440.db2.gz CYGAZYLISJFZHA-UHFFFAOYSA-N -1 3 344.176 2.470 20 30 EEEDHM C#CC(C)(C)N(C)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC001609019577 1351816183 /nfs/dbraw/zinc/81/61/83/1351816183.db2.gz YAHSUYYEZSTGEF-UHFFFAOYSA-N -1 3 334.221 2.473 20 30 EEEDHM C#CC(C)(C)N(C)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC001609019577 1351816185 /nfs/dbraw/zinc/81/61/85/1351816185.db2.gz YAHSUYYEZSTGEF-UHFFFAOYSA-N -1 3 334.221 2.473 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001609051035 1351823687 /nfs/dbraw/zinc/82/36/87/1351823687.db2.gz MKNSJGBVAURSJK-HZMBPMFUSA-N -1 3 346.366 2.109 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001609051035 1351823688 /nfs/dbraw/zinc/82/36/88/1351823688.db2.gz MKNSJGBVAURSJK-HZMBPMFUSA-N -1 3 346.366 2.109 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)OCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC001609051994 1351824753 /nfs/dbraw/zinc/82/47/53/1351824753.db2.gz FPYLYJMFGJMTCX-KRWDZBQOSA-N -1 3 344.371 2.299 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)OCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC001609051994 1351824760 /nfs/dbraw/zinc/82/47/60/1351824760.db2.gz FPYLYJMFGJMTCX-KRWDZBQOSA-N -1 3 344.371 2.299 20 30 EEEDHM C=CCCO[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC001609054635 1351825345 /nfs/dbraw/zinc/82/53/45/1351825345.db2.gz DWIMXRABRZGURJ-LLVKDONJSA-N -1 3 331.376 2.185 20 30 EEEDHM C=CCCO[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC001609054635 1351825348 /nfs/dbraw/zinc/82/53/48/1351825348.db2.gz DWIMXRABRZGURJ-LLVKDONJSA-N -1 3 331.376 2.185 20 30 EEEDHM COc1cc(OCc2ccc(C#N)cc2F)ccc1-c1nnn[n-]1 ZINC001609348195 1351941355 /nfs/dbraw/zinc/94/13/55/1351941355.db2.gz JFCSQNLYZYQTTA-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM COc1cc(OCc2ccc(C#N)cc2F)ccc1-c1nn[n-]n1 ZINC001609348195 1351941357 /nfs/dbraw/zinc/94/13/57/1351941357.db2.gz JFCSQNLYZYQTTA-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM Cn1nnc2cc(C=CC(=O)c3ccccc3-c3nnn[n-]3)ccc21 ZINC001609483466 1351994064 /nfs/dbraw/zinc/99/40/64/1351994064.db2.gz DBLOIUZEXBVDGT-CLFYSBASSA-N -1 3 331.339 2.045 20 30 EEEDHM Cn1nnc2cc(C=CC(=O)c3ccccc3-c3nn[n-]n3)ccc21 ZINC001609483466 1351994065 /nfs/dbraw/zinc/99/40/65/1351994065.db2.gz DBLOIUZEXBVDGT-CLFYSBASSA-N -1 3 331.339 2.045 20 30 EEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001339014602 1336944963 /nfs/dbraw/zinc/94/49/63/1336944963.db2.gz JKFWZWTWUNAZKT-UHFFFAOYSA-N -1 3 333.392 2.219 20 30 EEEDHM O=C(N[C@H]1CCCN([O-])C1=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC000848130551 1338528251 /nfs/dbraw/zinc/52/82/51/1338528251.db2.gz LSYNFWFXEXSFLY-ULOBAINLSA-N -1 3 334.338 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20 30 EEEDHM C#CCN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1nccs1 ZINC001588348738 1348893211 /nfs/dbraw/zinc/89/32/11/1348893211.db2.gz KPDZBOGYMPWJTR-UHFFFAOYSA-N -1 3 344.787 2.257 20 30 EEEDHM C#CCN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1nccs1 ZINC001588348738 1348893215 /nfs/dbraw/zinc/89/32/15/1348893215.db2.gz KPDZBOGYMPWJTR-UHFFFAOYSA-N -1 3 344.787 2.257 20 30 EEEDHM C=C(CC)CNC(=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001588442181 1348904903 /nfs/dbraw/zinc/90/49/03/1348904903.db2.gz LEUGELAEAXCBMN-UHFFFAOYSA-N -1 3 336.193 2.325 20 30 EEEDHM C=C(CC)CNC(=O)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001588442181 1348904907 /nfs/dbraw/zinc/90/49/07/1348904907.db2.gz LEUGELAEAXCBMN-UHFFFAOYSA-N -1 3 336.193 2.325 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC001588442553 1348905309 /nfs/dbraw/zinc/90/53/09/1348905309.db2.gz ITUCGSHIDIQMIM-JSGCOSHPSA-N -1 3 332.335 2.030 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC001588442553 1348905311 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EEEDHM C=CC[C@H]1CCN(C(=O)C(F)(F)c2ccccc2-c2nn[n-]n2)C1 ZINC001588564056 1348917941 /nfs/dbraw/zinc/91/79/41/1348917941.db2.gz ILACYCGAAUDGIJ-NSHDSACASA-N -1 3 333.342 2.383 20 30 EEEDHM C=CCCCC(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001588587533 1348920788 /nfs/dbraw/zinc/92/07/88/1348920788.db2.gz XKOWGZMUHFEOIE-HNNXBMFYSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCCCC(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001588587533 1348920791 /nfs/dbraw/zinc/92/07/91/1348920791.db2.gz XKOWGZMUHFEOIE-HNNXBMFYSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCCCN(CC)C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588601455 1348922584 /nfs/dbraw/zinc/92/25/84/1348922584.db2.gz MHDCHZVHFIQJLA-ZDUSSCGKSA-N -1 3 329.404 2.449 20 30 EEEDHM C=CCCCN(CC)C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588601455 1348922586 /nfs/dbraw/zinc/92/25/86/1348922586.db2.gz MHDCHZVHFIQJLA-ZDUSSCGKSA-N -1 3 329.404 2.449 20 30 EEEDHM CC#CCN(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC001588746001 1348930619 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2.175 20 30 EEEDHM CC(C)(C)C1CCC(Cn2c(N)nc(C#N)c2-c2nnn[n-]2)CC1 ZINC001589099517 1348958809 /nfs/dbraw/zinc/95/88/09/1348958809.db2.gz NWRFLVONFCUCTE-UHFFFAOYSA-N -1 3 328.424 2.370 20 30 EEEDHM CC(C)(C)C1CCC(Cn2c(N)nc(C#N)c2-c2nn[n-]n2)CC1 ZINC001589099517 1348958814 /nfs/dbraw/zinc/95/88/14/1348958814.db2.gz NWRFLVONFCUCTE-UHFFFAOYSA-N -1 3 328.424 2.370 20 30 EEEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)Nc1ccc(C#N)cn1 ZINC001590044766 1349124770 /nfs/dbraw/zinc/12/47/70/1349124770.db2.gz USLWKHDWYJRDPJ-NSHDSACASA-N -1 3 348.370 2.358 20 30 EEEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)Nc1ccc(C#N)cn1 ZINC001590044766 1349124775 /nfs/dbraw/zinc/12/47/75/1349124775.db2.gz USLWKHDWYJRDPJ-NSHDSACASA-N -1 3 348.370 2.358 20 30 EEEDHM CC1(C)CCC[C@H](CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)O1 ZINC001590093585 1349151031 /nfs/dbraw/zinc/15/10/31/1349151031.db2.gz KKNSFUNLCOCLRM-SNVBAGLBSA-N -1 3 345.432 2.155 20 30 EEEDHM CC1(C)CCC[C@H](CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)O1 ZINC001590093585 1349151034 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N#Cc1nnc2ccccc2c1N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001592711615 1349709886 /nfs/dbraw/zinc/70/98/86/1349709886.db2.gz MGMCJTHPLBPTOJ-UHFFFAOYSA-N -1 3 340.350 2.202 20 30 EEEDHM N#Cc1nnc2ccccc2c1N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001592711615 1349709890 /nfs/dbraw/zinc/70/98/90/1349709890.db2.gz MGMCJTHPLBPTOJ-UHFFFAOYSA-N -1 3 340.350 2.202 20 30 EEEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC001601116868 1350213687 /nfs/dbraw/zinc/21/36/87/1350213687.db2.gz RJIBEWKZIAEYKJ-MELADBBJSA-N -1 3 342.317 2.177 20 30 EEEDHM C#CC[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)c1C)c1ccccn1 ZINC001602696705 1350574850 /nfs/dbraw/zinc/57/48/50/1350574850.db2.gz DJFAVPXVIWAASV-MRXNPFEDSA-N -1 3 333.351 2.492 20 30 EEEDHM C#CC[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)c1C)c1ccccn1 ZINC001602696705 1350574855 /nfs/dbraw/zinc/57/48/55/1350574855.db2.gz DJFAVPXVIWAASV-MRXNPFEDSA-N -1 3 333.351 2.492 20 30 EEEDHM C#CCSCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001602732982 1350578202 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COc1cc(C=Nn2nnc(C)c2C)cc(Br)c1[O-] ZINC001262037241 1322225222 /nfs/dbraw/zinc/22/52/22/1322225222.db2.gz PZAITNIGHIVZHC-UHFFFAOYSA-N -1 3 325.166 2.254 20 30 EEEDHM [O-]c1ccc(F)c(C=NN2C(=S)N=NC2[C@H]2CCCO2)c1F ZINC000794478517 1296094018 /nfs/dbraw/zinc/09/40/18/1296094018.db2.gz QKBCFSBWKFYKEA-SNVBAGLBSA-N -1 3 326.328 2.284 20 30 EEEDHM CCOC(=O)C1(C(=O)OCC)CC(Oc2cccc(/C=N/[O-])c2)C1 ZINC001226115071 1301263880 /nfs/dbraw/zinc/26/38/80/1301263880.db2.gz WCXUNNLYMIUZOB-WOJGMQOQSA-N -1 3 335.356 2.149 20 30 EEEDHM O=[N+]([O-])c1ccc(N2CCC(Oc3nccc(/C=N/[O-])n3)CC2)cc1 ZINC001226253390 1301323170 /nfs/dbraw/zinc/32/31/70/1301323170.db2.gz HSZXXJBYOCAXTP-WOJGMQOQSA-N -1 3 343.343 2.241 20 30 EEEDHM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]1[C@@H]2Oc1nccc(/C=N/[O-])n1 ZINC001226258974 1301326249 /nfs/dbraw/zinc/32/62/49/1301326249.db2.gz WZGLEQGWHFPTAF-LSOHTQTBSA-N -1 3 334.376 2.061 20 30 EEEDHM CC(C)(C)OC(=O)N1CCOC[C@@H](Oc2cc(C#N)ccc2[O-])C1 ZINC001227345070 1301790655 /nfs/dbraw/zinc/79/06/55/1301790655.db2.gz IXYOTMHUNKIPRF-ZDUSSCGKSA-N -1 3 334.372 2.279 20 30 EEEDHM CCOC[C@@H]1Cn2nccc2CN(Cc2ccc(C#N)cc2[O-])C1 ZINC001233385100 1304453395 /nfs/dbraw/zinc/45/33/95/1304453395.db2.gz UORHYLMQDMVUQY-HNNXBMFYSA-N -1 3 326.400 2.129 20 30 EEEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(C)[C@H](C)c1ccco1 ZINC001121636529 1310082817 /nfs/dbraw/zinc/08/28/17/1310082817.db2.gz YQSMKFZZUASHSO-LLVKDONJSA-N -1 3 326.360 2.417 20 30 EEEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(Cl)n(C)n1 ZINC000835063282 1314896031 /nfs/dbraw/zinc/89/60/31/1314896031.db2.gz WLRUSICUBQICBQ-SNVBAGLBSA-N -1 3 346.774 2.433 20 30 EEEDHM Cc1cccnc1CCCNC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1 ZINC001154552072 1317199965 /nfs/dbraw/zinc/19/99/65/1317199965.db2.gz GRVGLXFXBFQFQS-UHFFFAOYSA-N -1 3 346.390 2.466 20 30 EEEDHM CC(C)c1cnn2cc(C(=O)N([O-])C(=N)c3ccccc3N)cnc12 ZINC001156235328 1317931555 /nfs/dbraw/zinc/93/15/55/1317931555.db2.gz FYAMIBFRVHRISI-UHFFFAOYSA-N -1 3 338.371 2.292 20 30 EEEDHM Cc1ncc(Nc2ccc([C@H](C#N)c3ccccc3F)nn2)c(=O)[n-]1 ZINC001162300480 1320814400 /nfs/dbraw/zinc/81/44/00/1320814400.db2.gz IBQVHAQIYSVSJH-DOMZBBRYSA-N -1 3 336.330 2.081 20 30 EEEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCc2ccccc2CC1 ZINC001262956954 1322405550 /nfs/dbraw/zinc/40/55/50/1322405550.db2.gz DMRYLSSBZPZLRV-UHFFFAOYSA-N -1 3 348.410 2.232 20 30 EEEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001263285175 1322452076 /nfs/dbraw/zinc/45/20/76/1322452076.db2.gz AACLJXSTNBDVCH-RYUDHWBXSA-N -1 3 328.420 2.417 20 30 EEEDHM C#CCN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001602718014 1350577128 /nfs/dbraw/zinc/57/71/28/1350577128.db2.gz LGVHMLXXDKRGNA-UHFFFAOYSA-N -1 3 331.379 2.451 20 30 EEEDHM C#CCN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001602718014 1350577132 /nfs/dbraw/zinc/57/71/32/1350577132.db2.gz LGVHMLXXDKRGNA-UHFFFAOYSA-N -1 3 331.379 2.451 20 30 EEEDHM C=CCN(C(=O)Nc1cc(OC)c(-c2nnn[n-]2)cc1F)C(C)C ZINC001602847347 1350595485 /nfs/dbraw/zinc/59/54/85/1350595485.db2.gz QZNPCKIAGIBHSF-UHFFFAOYSA-N -1 3 334.355 2.443 20 30 EEEDHM C=CCN(C(=O)Nc1cc(OC)c(-c2nn[n-]n2)cc1F)C(C)C ZINC001602847347 1350595488 /nfs/dbraw/zinc/59/54/88/1350595488.db2.gz QZNPCKIAGIBHSF-UHFFFAOYSA-N -1 3 334.355 2.443 20 30 EEEDHM Cc1oc(C#N)cc1C(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001606172188 1351281961 /nfs/dbraw/zinc/28/19/61/1351281961.db2.gz OTKPNABSRXVJJW-SNVBAGLBSA-N -1 3 336.355 2.473 20 30 EEEDHM Cc1oc(C#N)cc1C(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001606172188 1351281963 /nfs/dbraw/zinc/28/19/63/1351281963.db2.gz OTKPNABSRXVJJW-SNVBAGLBSA-N -1 3 336.355 2.473 20 30 EEEDHM FC(F)(F)c1cc(-c2nnn[n-]2)ccc1N=NC[C@@H]1CCOC1 ZINC001606290807 1351289727 /nfs/dbraw/zinc/28/97/27/1351289727.db2.gz PSLKGQNNKDTDAP-QMMMGPOBSA-N -1 3 326.282 2.320 20 30 EEEDHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N=NC[C@@H]1CCOC1 ZINC001606290807 1351289731 /nfs/dbraw/zinc/28/97/31/1351289731.db2.gz PSLKGQNNKDTDAP-QMMMGPOBSA-N -1 3 326.282 2.320 20 30 EEEDHM CCOc1c(Cl)cccc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC001310197636 1331661813 /nfs/dbraw/zinc/66/18/13/1331661813.db2.gz RPBOGCQDOLISDH-NSHDSACASA-N -1 3 327.768 2.240 20 30 EEEDHM N#Cc1ccc(NC(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1F ZINC001310841940 1331716989 /nfs/dbraw/zinc/71/69/89/1331716989.db2.gz FVTVNSHNIBXLIU-UHFFFAOYSA-N -1 3 337.318 2.445 20 30 EEEDHM N#Cc1ccc(NC(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1F ZINC001310841940 1331716992 /nfs/dbraw/zinc/71/69/92/1331716992.db2.gz FVTVNSHNIBXLIU-UHFFFAOYSA-N -1 3 337.318 2.445 20 30 EEEDHM C=CCN(CC=C)C(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001609055500 1351825701 /nfs/dbraw/zinc/82/57/01/1351825701.db2.gz FWGCJRBBYOGLFL-UHFFFAOYSA-N -1 3 336.355 2.336 20 30 EEEDHM C=CCN(CC=C)C(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001609055500 1351825704 /nfs/dbraw/zinc/82/57/04/1351825704.db2.gz FWGCJRBBYOGLFL-UHFFFAOYSA-N -1 3 336.355 2.336 20 30 EEEDHM C=CCN(Cc1nc(CC)no1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609057402 1351826626 /nfs/dbraw/zinc/82/66/26/1351826626.db2.gz PVMCOVXXPXLCHG-UHFFFAOYSA-N -1 3 325.376 2.000 20 30 EEEDHM C=CCN(Cc1nc(CC)no1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609057402 1351826629 /nfs/dbraw/zinc/82/66/29/1351826629.db2.gz PVMCOVXXPXLCHG-UHFFFAOYSA-N -1 3 325.376 2.000 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1CCC1 ZINC001609056724 1351826945 /nfs/dbraw/zinc/82/69/45/1351826945.db2.gz VVNHQUAUSRQZJW-UHFFFAOYSA-N -1 3 326.404 2.364 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1CCC1 ZINC001609056724 1351826950 /nfs/dbraw/zinc/82/69/50/1351826950.db2.gz VVNHQUAUSRQZJW-UHFFFAOYSA-N -1 3 326.404 2.364 20 30 EEEDHM C=CCSCCNc1c(-c2nnn[n-]2)cnc2ccc(OC)cc21 ZINC001609058973 1351827246 /nfs/dbraw/zinc/82/72/46/1351827246.db2.gz HKTCZFFBUUIQIW-UHFFFAOYSA-N -1 3 342.428 2.177 20 30 EEEDHM C=CCSCCNc1c(-c2nn[n-]n2)cnc2ccc(OC)cc21 ZINC001609058973 1351827250 /nfs/dbraw/zinc/82/72/50/1351827250.db2.gz HKTCZFFBUUIQIW-UHFFFAOYSA-N -1 3 342.428 2.177 20 30 EEEDHM CC1(C)CCCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)[C@@H]1C#N ZINC001609145444 1351860914 /nfs/dbraw/zinc/86/09/14/1351860914.db2.gz NZVZRAZZRZYWTG-LLVKDONJSA-N -1 3 345.794 2.069 20 30 EEEDHM CC1(C)CCCN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)[C@@H]1C#N ZINC001609145444 1351860919 /nfs/dbraw/zinc/86/09/19/1351860919.db2.gz NZVZRAZZRZYWTG-LLVKDONJSA-N -1 3 345.794 2.069 20 30 EEEDHM CC[C@](C)(C#N)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC001609183005 1351879667 /nfs/dbraw/zinc/87/96/67/1351879667.db2.gz RHGIZFXXECLWGM-CYBMUJFWSA-N -1 3 349.738 2.307 20 30 EEEDHM CC[C@](C)(C#N)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC001609183005 1351879668 /nfs/dbraw/zinc/87/96/68/1351879668.db2.gz RHGIZFXXECLWGM-CYBMUJFWSA-N -1 3 349.738 2.307 20 30 EEEDHM COC1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CCCCC1 ZINC001609310178 1351927931 /nfs/dbraw/zinc/92/79/31/1351927931.db2.gz GAFMPZDLWCTCQQ-UHFFFAOYSA-N -1 3 326.360 2.026 20 30 EEEDHM COC1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCCCC1 ZINC001609310178 1351927934 /nfs/dbraw/zinc/92/79/34/1351927934.db2.gz GAFMPZDLWCTCQQ-UHFFFAOYSA-N -1 3 326.360 2.026 20 30 EEEDHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCC1(C#N)CCC1 ZINC001609403744 1351962926 /nfs/dbraw/zinc/96/29/26/1351962926.db2.gz WJOPDDIGDQAPBT-UHFFFAOYSA-N -1 3 337.362 2.390 20 30 EEEDHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCC1(C#N)CCC1 ZINC001609403744 1351962928 /nfs/dbraw/zinc/96/29/28/1351962928.db2.gz WJOPDDIGDQAPBT-UHFFFAOYSA-N -1 3 337.362 2.390 20 30 EEEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cccc(-n2ccnn2)c1 ZINC001609519566 1352002815 /nfs/dbraw/zinc/00/28/15/1352002815.db2.gz AEYVNRCCTMNMET-HJWRWDBZSA-N -1 3 343.350 2.344 20 30 EEEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cccc(-n2ccnn2)c1 ZINC001609519566 1352002819 /nfs/dbraw/zinc/00/28/19/1352002819.db2.gz AEYVNRCCTMNMET-HJWRWDBZSA-N -1 3 343.350 2.344 20 30 EEEDHM Cn1nc(Br)cc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001333202579 1335981940 /nfs/dbraw/zinc/98/19/40/1335981940.db2.gz HPHGXXGLNHXXJM-UHFFFAOYSA-N -1 3 328.141 2.353 20 30 EEEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CC(C)(C)CC(=O)[O-] ZINC001610100119 1352162114 /nfs/dbraw/zinc/16/21/14/1352162114.db2.gz JPFHGIRUKYTZEJ-UHFFFAOYSA-N -1 3 345.443 2.339 20 30 EEEDHM CC(C)Cn1cc(C(=O)N[C@H]2CCCN([O-])C2=O)c2ccccc21 ZINC000848138575 1338529115 /nfs/dbraw/zinc/52/91/15/1338529115.db2.gz NVTQTAWSLAYPPV-HNNXBMFYSA-N -1 3 329.400 2.407 20 30 EEEDHM CN(CCc1ccccc1F)Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001615451493 1352324407 /nfs/dbraw/zinc/32/44/07/1352324407.db2.gz XHHUIGVQKBYGPM-UHFFFAOYSA-N -1 3 325.347 2.120 20 30 EEEDHM C[C@@H](NC(=O)c1cc(C#N)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001575318703 1343775099 /nfs/dbraw/zinc/77/50/99/1343775099.db2.gz FSXHTJZGMCKBAE-SNVBAGLBSA-N -1 3 336.330 2.368 20 30 EEEDHM C[C@@H](NC(=O)c1cc(C#N)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001575318703 1343775101 /nfs/dbraw/zinc/77/51/01/1343775101.db2.gz FSXHTJZGMCKBAE-SNVBAGLBSA-N -1 3 336.330 2.368 20 30 EEEDHM COC(=O)c1ccc(CNc2c(C#N)cccc2-c2nnn[n-]2)s1 ZINC001579482222 1344388220 /nfs/dbraw/zinc/38/82/20/1344388220.db2.gz XZGLOHBVGPTZQM-UHFFFAOYSA-N -1 3 340.368 2.199 20 30 EEEDHM COC(=O)c1ccc(CNc2c(C#N)cccc2-c2nn[n-]n2)s1 ZINC001579482222 1344388224 /nfs/dbraw/zinc/38/82/24/1344388224.db2.gz XZGLOHBVGPTZQM-UHFFFAOYSA-N -1 3 340.368 2.199 20 30 EEEDHM COc1ccc(C#N)cc1NC(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001579969620 1344441648 /nfs/dbraw/zinc/44/16/48/1344441648.db2.gz OFVMQYZFFYUDFY-UHFFFAOYSA-N -1 3 334.339 2.308 20 30 EEEDHM COc1ccc(C#N)cc1NC(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001579969620 1344441655 /nfs/dbraw/zinc/44/16/55/1344441655.db2.gz OFVMQYZFFYUDFY-UHFFFAOYSA-N -1 3 334.339 2.308 20 30 EEEDHM COc1ccc(NC(=O)c2cscc2C#N)cc1-c1nnn[n-]1 ZINC001580043801 1344456291 /nfs/dbraw/zinc/45/62/91/1344456291.db2.gz NQHHDQHEEVSKDH-UHFFFAOYSA-N -1 3 326.341 2.061 20 30 EEEDHM COc1ccc(NC(=O)c2cscc2C#N)cc1-c1nn[n-]n1 ZINC001580043801 1344456293 /nfs/dbraw/zinc/45/62/93/1344456293.db2.gz NQHHDQHEEVSKDH-UHFFFAOYSA-N -1 3 326.341 2.061 20 30 EEEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(OCC#N)cc1 ZINC001581134024 1344590725 /nfs/dbraw/zinc/59/07/25/1344590725.db2.gz OCBATRZXGMUPPU-UHFFFAOYSA-N -1 3 334.339 2.330 20 30 EEEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(OCC#N)cc1 ZINC001581134024 1344590728 /nfs/dbraw/zinc/59/07/28/1344590728.db2.gz OCBATRZXGMUPPU-UHFFFAOYSA-N -1 3 334.339 2.330 20 30 EEEDHM Cn1c(C#N)ccc1C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001581748771 1344659745 /nfs/dbraw/zinc/65/97/45/1344659745.db2.gz UEUXXHDAGIHTTR-UHFFFAOYSA-N -1 3 333.355 2.207 20 30 EEEDHM Cn1c(C#N)ccc1C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001581748771 1344659752 /nfs/dbraw/zinc/65/97/52/1344659752.db2.gz UEUXXHDAGIHTTR-UHFFFAOYSA-N -1 3 333.355 2.207 20 30 EEEDHM N#Cc1cc(Br)ccc1Oc1cc(-c2nnn[n-]2)cnn1 ZINC001581863581 1344681289 /nfs/dbraw/zinc/68/12/89/1344681289.db2.gz WLCGOGJYWGIXJA-UHFFFAOYSA-N -1 3 344.132 2.083 20 30 EEEDHM N#Cc1cc(Br)ccc1Oc1cc(-c2nn[n-]n2)cnn1 ZINC001581863581 1344681298 /nfs/dbraw/zinc/68/12/98/1344681298.db2.gz WLCGOGJYWGIXJA-UHFFFAOYSA-N -1 3 344.132 2.083 20 30 EEEDHM C#C[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001588327928 1348888156 /nfs/dbraw/zinc/88/81/56/1348888156.db2.gz UVUGYPBSNSYOJQ-KRWDZBQOSA-N -1 3 331.379 2.290 20 30 EEEDHM C#C[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001588327928 1348888161 /nfs/dbraw/zinc/88/81/61/1348888161.db2.gz UVUGYPBSNSYOJQ-KRWDZBQOSA-N -1 3 331.379 2.290 20 30 EEEDHM C#CCCCC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588338167 1348892052 /nfs/dbraw/zinc/89/20/52/1348892052.db2.gz AHXRKMWULFNPIV-UHFFFAOYSA-N -1 3 339.399 2.040 20 30 EEEDHM C#CCCCC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588338167 1348892060 /nfs/dbraw/zinc/89/20/60/1348892060.db2.gz AHXRKMWULFNPIV-UHFFFAOYSA-N -1 3 339.399 2.040 20 30 EEEDHM C#CCN(C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)C(C)C ZINC001588348443 1348894199 /nfs/dbraw/zinc/89/41/99/1348894199.db2.gz WMGZWJCUNHAHIJ-UHFFFAOYSA-N -1 3 329.408 2.299 20 30 EEEDHM C#CCN(C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)C(C)C ZINC001588348443 1348894205 /nfs/dbraw/zinc/89/42/05/1348894205.db2.gz WMGZWJCUNHAHIJ-UHFFFAOYSA-N -1 3 329.408 2.299 20 30 EEEDHM C=C(C)[C@H](CC(=O)OCCc1ccc(-c2nnn[n-]2)cc1)OCC ZINC001588401617 1348901060 /nfs/dbraw/zinc/90/10/60/1348901060.db2.gz VXNWXDBJZLUOIW-HNNXBMFYSA-N -1 3 330.388 2.324 20 30 EEEDHM C=C(C)[C@H](CC(=O)OCCc1ccc(-c2nn[n-]n2)cc1)OCC ZINC001588401617 1348901064 /nfs/dbraw/zinc/90/10/64/1348901064.db2.gz VXNWXDBJZLUOIW-HNNXBMFYSA-N -1 3 330.388 2.324 20 30 EEEDHM C=C(C)C[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC001588404618 1348901354 /nfs/dbraw/zinc/90/13/54/1348901354.db2.gz JLKBXBYVXJTBAT-LBPRGKRZSA-N -1 3 345.403 2.433 20 30 EEEDHM C=C(C)C[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC001588404618 1348901356 /nfs/dbraw/zinc/90/13/56/1348901356.db2.gz JLKBXBYVXJTBAT-LBPRGKRZSA-N -1 3 345.403 2.433 20 30 EEEDHM C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588476371 1348908296 /nfs/dbraw/zinc/90/82/96/1348908296.db2.gz VWEBUOKFJHVKJS-BDAKNGLRSA-N -1 3 349.464 2.149 20 30 EEEDHM C=CC(C)(C)CC(=O)N[C@@H](C)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588483504 1348908491 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EEEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001588564712 1348917927 /nfs/dbraw/zinc/91/79/27/1348917927.db2.gz QYYDGNDGWYYDHO-OAHLLOKOSA-N -1 3 339.399 2.315 20 30 EEEDHM C=CCCC(=O)N[C@@H](C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588570978 1348918750 /nfs/dbraw/zinc/91/87/50/1348918750.db2.gz FYCMZNGBZNEETF-RYUDHWBXSA-N -1 3 343.435 2.232 20 30 EEEDHM C=CCCC(=O)N[C@@H](C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588570978 1348918752 /nfs/dbraw/zinc/91/87/52/1348918752.db2.gz FYCMZNGBZNEETF-RYUDHWBXSA-N -1 3 343.435 2.232 20 30 EEEDHM C=CCCO[C@H](C)C(=O)Nc1c(-c2nnn[n-]2)c(C)c2ccccn21 ZINC001588610554 1348923289 /nfs/dbraw/zinc/92/32/89/1348923289.db2.gz HMZUBAODGJUREZ-GFCCVEGCSA-N -1 3 340.387 2.348 20 30 EEEDHM C=CCCO[C@H](C)C(=O)Nc1c(-c2nn[n-]n2)c(C)c2ccccn21 ZINC001588610554 1348923291 /nfs/dbraw/zinc/92/32/91/1348923291.db2.gz HMZUBAODGJUREZ-GFCCVEGCSA-N -1 3 340.387 2.348 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C)nc(C)n1 ZINC001588649621 1348927647 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CC(C)(CCC#N)CNC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001589273101 1348977455 /nfs/dbraw/zinc/97/74/55/1348977455.db2.gz VQONJSCLFBADOO-UHFFFAOYSA-N -1 3 338.415 2.344 20 30 EEEDHM CC(C)(CCC#N)CNC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001589273101 1348977461 /nfs/dbraw/zinc/97/74/61/1348977461.db2.gz VQONJSCLFBADOO-UHFFFAOYSA-N -1 3 338.415 2.344 20 30 EEEDHM CC(C)C[C@@H](C)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589550564 1349003821 /nfs/dbraw/zinc/00/38/21/1349003821.db2.gz LOKRCKGTGXTZTM-DOMZBBRYSA-N -1 3 326.404 2.100 20 30 EEEDHM C[C@H](CC#N)C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC001589788332 1349043288 /nfs/dbraw/zinc/04/32/88/1349043288.db2.gz XBILKSUHIHTJSP-MRVPVSSYSA-N -1 3 337.286 2.061 20 30 EEEDHM C[C@H](CC#N)C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC001589788332 1349043289 /nfs/dbraw/zinc/04/32/89/1349043289.db2.gz XBILKSUHIHTJSP-MRVPVSSYSA-N -1 3 337.286 2.061 20 30 EEEDHM C[C@H](Nc1ccc(CC#N)cc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001589980593 1349090262 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Clc1cc(-c2nn[n-]n2)cc(N=NCc2cccc3nccn32)n1 ZINC000826349971 608541219 /nfs/dbraw/zinc/54/12/19/608541219.db2.gz BUICMRVXMZWKLT-UHFFFAOYSA-N -1 3 339.750 2.009 20 30 EEEDHM O=c1ccc2c([nH]1)CCC(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000826475551 608755378 /nfs/dbraw/zinc/75/53/78/608755378.db2.gz JRQBRSXPHXLFRB-VMPITWQZSA-N -1 3 325.353 2.241 20 30 EEEDHM O=c1ccc2c([nH]1)CCC(=Cc1cc(-c3nn[n-]n3)cs1)C2=O ZINC000826475551 608755380 /nfs/dbraw/zinc/75/53/80/608755380.db2.gz JRQBRSXPHXLFRB-VMPITWQZSA-N -1 3 325.353 2.241 20 30 EEEDHM N#CCc1ccccc1CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826382447 609234622 /nfs/dbraw/zinc/23/46/22/609234622.db2.gz FMCXITQXGODSRK-UHFFFAOYSA-N -1 3 336.330 2.253 20 30 EEEDHM N#CCc1ccccc1CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826382447 609234623 /nfs/dbraw/zinc/23/46/23/609234623.db2.gz FMCXITQXGODSRK-UHFFFAOYSA-N -1 3 336.330 2.253 20 30 EEEDHM CC#CCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000823943508 609393980 /nfs/dbraw/zinc/39/39/80/609393980.db2.gz 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20 30 EEEDHM CS(=O)(=O)[N-]c1cc(C(=O)OC2(CC#N)CCC2)ccc1F ZINC000810857535 1199793005 /nfs/dbraw/zinc/79/30/05/1199793005.db2.gz UBFCPFNLFRQMMH-UHFFFAOYSA-N -1 3 326.349 2.190 20 30 EEEDHM CC(C)(C)CN1CCC[C@@H](OC(=O)c2cc([O-])cc(C#N)c2)C1=O ZINC000811184407 1199916276 /nfs/dbraw/zinc/91/62/76/1199916276.db2.gz NUQDNVTUOJKEOU-OAHLLOKOSA-N -1 3 330.384 2.458 20 30 EEEDHM Cc1cc(N2CCCC2)ccc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000878010248 1200211565 /nfs/dbraw/zinc/21/15/65/1200211565.db2.gz LYUPFIUBVVRFCX-HNNXBMFYSA-N -1 3 332.404 2.097 20 30 EEEDHM O=C(N[C@H](C1CCCCC1)C(F)(F)F)N[C@@H]1CCCN([O-])C1=O ZINC000879265605 1200965734 /nfs/dbraw/zinc/96/57/34/1200965734.db2.gz LYECEBXCCDZKRC-GHMZBOCLSA-N -1 3 337.342 2.177 20 30 EEEDHM O=C(Nc1ncc(-c2ccccc2)s1)N[C@H]1CCCN([O-])C1=O ZINC000866108167 1201435062 /nfs/dbraw/zinc/43/50/62/1201435062.db2.gz NSJRAUZVCYHJOB-NSHDSACASA-N -1 3 332.385 2.312 20 30 EEEDHM C=C(C)CN1C[C@]2(CCN(Cc3ccc([S-])cc3)C2)OCC1=O ZINC001274113059 1204381135 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338.407 2.059 20 30 EEEDHM CC1(Nc2cnc(C#N)cn2)CCN(C(=O)c2ccccc2[O-])CC1 ZINC001067245858 1228479377 /nfs/dbraw/zinc/47/93/77/1228479377.db2.gz YQOMGQDEVHZTSY-UHFFFAOYSA-N -1 3 337.383 2.161 20 30 EEEDHM N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)c3ccccc3[O-])C23CCC3)cn1 ZINC001041547442 1231590342 /nfs/dbraw/zinc/59/03/42/1231590342.db2.gz INPDRYAAQLIKFU-JKSUJKDBSA-N -1 3 349.394 2.207 20 30 EEEDHM C=C(C)CCC(=O)N(C)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001096119350 1235050728 /nfs/dbraw/zinc/05/07/28/1235050728.db2.gz RYKXWEOSUNVSJP-UHFFFAOYSA-N -1 3 348.403 2.479 20 30 EEEDHM C[C@H](CNC(=O)c1c[n-]c2ccccc2c1=O)Nc1ncccc1C#N ZINC001098402431 1257680984 /nfs/dbraw/zinc/68/09/84/1257680984.db2.gz MPMSUDSBTCJUAJ-GFCCVEGCSA-N -1 3 347.378 2.025 20 30 EEEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCCc3ccncc32)c1 ZINC001190681735 1281017016 /nfs/dbraw/zinc/01/70/16/1281017016.db2.gz MVDNAQCNRHUFSV-OAHLLOKOSA-N -1 3 331.372 2.448 20 30 EEEDHM N#Cc1cnoc1[N-]C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC001192643158 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EEEDHM C=CCOCCSCCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001588689833 1348928730 /nfs/dbraw/zinc/92/87/30/1348928730.db2.gz RWQIRUOOCVTIOY-UHFFFAOYSA-N -1 3 333.417 2.131 20 30 EEEDHM C=CCn1c([C@H]2C[C@H]2C)nnc1N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001588703425 1348929762 /nfs/dbraw/zinc/92/97/62/1348929762.db2.gz PECXVBOYVZLRFO-RISCZKNCSA-N -1 3 348.414 2.288 20 30 EEEDHM C=CCn1c([C@H]2C[C@H]2C)nnc1N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001588703425 1348929768 /nfs/dbraw/zinc/92/97/68/1348929768.db2.gz PECXVBOYVZLRFO-RISCZKNCSA-N -1 3 348.414 2.288 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1Nc1cc(Br)ccc1-c1nnn[n-]1 ZINC001588727905 1348930871 /nfs/dbraw/zinc/93/08/71/1348930871.db2.gz KUOBLPOQISEURM-PWSUYJOCSA-N -1 3 336.193 2.385 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1Nc1cc(Br)ccc1-c1nn[n-]n1 ZINC001588727905 1348930873 /nfs/dbraw/zinc/93/08/73/1348930873.db2.gz KUOBLPOQISEURM-PWSUYJOCSA-N -1 3 336.193 2.385 20 30 EEEDHM C[C@H](C#N)N(Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)C1CC1 ZINC001588934490 1348949442 /nfs/dbraw/zinc/94/94/42/1348949442.db2.gz NQDRMLZLXOBPQY-SECBINFHSA-N -1 3 334.330 2.345 20 30 EEEDHM C[C@H](C#N)N(Cc1ccc(-c2nn[n-]n2)cc1OC(F)F)C1CC1 ZINC001588934490 1348949444 /nfs/dbraw/zinc/94/94/44/1348949444.db2.gz NQDRMLZLXOBPQY-SECBINFHSA-N -1 3 334.330 2.345 20 30 EEEDHM CC(C)N(CCC#N)C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001589682654 1349021134 /nfs/dbraw/zinc/02/11/34/1349021134.db2.gz WAMRNAOFRDAPKP-UHFFFAOYSA-N -1 3 334.330 2.109 20 30 EEEDHM CC(C)N(CCC#N)C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001589682654 1349021139 /nfs/dbraw/zinc/02/11/39/1349021139.db2.gz WAMRNAOFRDAPKP-UHFFFAOYSA-N -1 3 334.330 2.109 20 30 EEEDHM CC(C)n1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)nn1 ZINC001589782248 1349039984 /nfs/dbraw/zinc/03/99/84/1349039984.db2.gz OVLCXYJMBIZQRS-XYOKQWHBSA-N -1 3 335.371 2.252 20 30 EEEDHM CC(C)n1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)nn1 ZINC001589782248 1349039989 /nfs/dbraw/zinc/03/99/89/1349039989.db2.gz OVLCXYJMBIZQRS-XYOKQWHBSA-N -1 3 335.371 2.252 20 30 EEEDHM C[C@@H](OC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)C(C)(C)C#N ZINC001590007540 1349104683 /nfs/dbraw/zinc/10/46/83/1349104683.db2.gz APIOBDLYCFWCLQ-DDTOSNHZSA-N -1 3 325.372 2.452 20 30 EEEDHM C[C@@H](OC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)C(C)(C)C#N ZINC001590007540 1349104700 /nfs/dbraw/zinc/10/47/00/1349104700.db2.gz APIOBDLYCFWCLQ-DDTOSNHZSA-N -1 3 325.372 2.452 20 30 EEEDHM C[C@H]1CCc2nc(NC(=O)CCCCC#N)c(-c3nnn[n-]3)cc2C1 ZINC001590283067 1349246440 /nfs/dbraw/zinc/24/64/40/1349246440.db2.gz SOFSUFGPUKNBHG-NSHDSACASA-N -1 3 339.403 2.409 20 30 EEEDHM C[C@H]1CCc2nc(NC(=O)CCCCC#N)c(-c3nn[n-]n3)cc2C1 ZINC001590283067 1349246444 /nfs/dbraw/zinc/24/64/44/1349246444.db2.gz SOFSUFGPUKNBHG-NSHDSACASA-N -1 3 339.403 2.409 20 30 EEEDHM COc1ccc(C=C2c3ccc(-c4nnn[n-]4)cc3NC2=O)cc1C#N ZINC001591582859 1349509981 /nfs/dbraw/zinc/50/99/81/1349509981.db2.gz QPYBVMOHUXAEEP-AUWJEWJLSA-N -1 3 344.334 2.240 20 30 EEEDHM COc1ccc(C=C2c3ccc(-c4nn[n-]n4)cc3NC2=O)cc1C#N ZINC001591582859 1349509986 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Cn1ncc(C2CCC2)c1C=CC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001592600746 1349667749 /nfs/dbraw/zinc/66/77/49/1349667749.db2.gz WKINPGFZUVSLSR-WAYWQWQTSA-N -1 3 335.371 2.159 20 30 EEEDHM N#Cc1cc(NC(=O)C[C@@H]2CC[C@H](C3CC3)O2)ccc1-c1nnn[n-]1 ZINC001592689274 1349705208 /nfs/dbraw/zinc/70/52/08/1349705208.db2.gz QITZQXSDUOJTRX-DZGCQCFKSA-N -1 3 338.371 2.025 20 30 EEEDHM N#Cc1cc(NC(=O)C[C@@H]2CC[C@H](C3CC3)O2)ccc1-c1nn[n-]n1 ZINC001592689274 1349705210 /nfs/dbraw/zinc/70/52/10/1349705210.db2.gz QITZQXSDUOJTRX-DZGCQCFKSA-N -1 3 338.371 2.025 20 30 EEEDHM Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC001600531858 1350075152 /nfs/dbraw/zinc/07/51/52/1350075152.db2.gz XWSOVRUICQRLSE-OWCLPIDISA-N -1 3 342.395 2.211 20 30 EEEDHM N#CCOc1ccc(CNCc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001601074426 1350202730 /nfs/dbraw/zinc/20/27/30/1350202730.db2.gz XRPUEINDLJUGEB-UHFFFAOYSA-N -1 3 326.352 2.342 20 30 EEEDHM C#CC[C@@H](NC(=O)c1cc(C)c(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001602697262 1350575269 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/nfs/dbraw/zinc/59/98/58/1350599858.db2.gz QFQXKUNCHNMOIQ-LBPRGKRZSA-N -1 3 336.403 2.300 20 30 EEEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC[C@@H]1C ZINC001602879459 1350599861 /nfs/dbraw/zinc/59/98/61/1350599861.db2.gz QFQXKUNCHNMOIQ-LBPRGKRZSA-N -1 3 336.403 2.300 20 30 EEEDHM C[C@]1(CNc2c(C#N)cccc2-c2nnn[n-]2)COc2ccccc2O1 ZINC001603806797 1350772910 /nfs/dbraw/zinc/77/29/10/1350772910.db2.gz KGSXSOFDGTYPJL-SFHVURJKSA-N -1 3 348.366 2.380 20 30 EEEDHM C[C@]1(CNc2c(C#N)cccc2-c2nn[n-]n2)COc2ccccc2O1 ZINC001603806797 1350772914 /nfs/dbraw/zinc/77/29/14/1350772914.db2.gz KGSXSOFDGTYPJL-SFHVURJKSA-N -1 3 348.366 2.380 20 30 EEEDHM CCc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1ccc(C#N)cc1 ZINC001604511400 1350952485 /nfs/dbraw/zinc/95/24/85/1350952485.db2.gz YWPFGHFDKLBKJS-UHFFFAOYSA-N -1 3 348.366 2.318 20 30 EEEDHM Cc1c(C(=O)Nc2nc3cc(C#N)ccc3[nH]2)cccc1-c1nn[n-]n1 ZINC001605482614 1351168845 /nfs/dbraw/zinc/16/88/45/1351168845.db2.gz YOKCRQQOAKTBCZ-UHFFFAOYSA-N -1 3 344.338 2.175 20 30 EEEDHM N#C[C@H]1CC[C@H](OC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001606345179 1351294873 /nfs/dbraw/zinc/29/48/73/1351294873.db2.gz ZGCNSNFRMIMDLC-JSGCOSHPSA-N -1 3 343.412 2.335 20 30 EEEDHM N#C[C@H]1CC[C@H](OC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001606345179 1351294876 /nfs/dbraw/zinc/29/48/76/1351294876.db2.gz ZGCNSNFRMIMDLC-JSGCOSHPSA-N -1 3 343.412 2.335 20 30 EEEDHM O=C(OCC#Cc1cccc(Cl)c1)c1cnccc1-c1nnn[n-]1 ZINC001606964093 1351385708 /nfs/dbraw/zinc/38/57/08/1351385708.db2.gz LUDARGLWAFQNDB-UHFFFAOYSA-N -1 3 339.742 2.124 20 30 EEEDHM O=C(OCC#Cc1cccc(Cl)c1)c1cnccc1-c1nn[n-]n1 ZINC001606964093 1351385711 /nfs/dbraw/zinc/38/57/11/1351385711.db2.gz LUDARGLWAFQNDB-UHFFFAOYSA-N -1 3 339.742 2.124 20 30 EEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(C)(C)CC[C@@H]1CO ZINC001647608570 1353345314 /nfs/dbraw/zinc/34/53/14/1353345314.db2.gz KFTODWFLVNOXLU-CQSZACIVSA-N -1 3 345.443 2.218 20 30 EEEDHM CC(=O)/C=C(/C)[N-]S(=O)(=O)c1ncccc1OCc1ccccc1 ZINC001201898369 1368855199 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COc1cccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1C ZINC001580060934 1403816932 /nfs/dbraw/zinc/81/69/32/1403816932.db2.gz HFIUROCWRSGUME-UHFFFAOYSA-N -1 3 334.339 2.308 20 30 EEEDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C#N)cs1 ZINC001590746913 1403894169 /nfs/dbraw/zinc/89/41/69/1403894169.db2.gz AJBOXCFENTULDN-UHFFFAOYSA-N -1 3 339.384 2.484 20 30 EEEDHM COc1cc(OCc2cccc(-c3nnn[n-]3)c2F)ccc1C#N ZINC001591553006 1403928554 /nfs/dbraw/zinc/92/85/54/1403928554.db2.gz PRPKXKKGVLSKPY-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM COc1cc(OCc2cccc(-c3nn[n-]n3)c2F)ccc1C#N ZINC001591553006 1403928558 /nfs/dbraw/zinc/92/85/58/1403928558.db2.gz PRPKXKKGVLSKPY-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM N#CCc1ccccc1C(=O)OCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001592681182 1404714000 /nfs/dbraw/zinc/71/40/00/1404714000.db2.gz XUOAAEORDWCAKY-UHFFFAOYSA-N -1 3 337.314 2.429 20 30 EEEDHM N#CCc1ccccc1C(=O)OCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001592681182 1404714005 /nfs/dbraw/zinc/71/40/05/1404714005.db2.gz 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CC(C)(CC#N)CNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001589267420 1348976544 /nfs/dbraw/zinc/97/65/44/1348976544.db2.gz WSQLESKLVQFJTH-UHFFFAOYSA-N -1 3 342.403 2.080 20 30 EEEDHM CC(Cn1nc(C)cc1C)=NOCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589903384 1349059597 /nfs/dbraw/zinc/05/95/97/1349059597.db2.gz AQMIFXTUHAZWCR-UHFFFAOYSA-N -1 3 343.366 2.412 20 30 EEEDHM CC(Cn1nc(C)cc1C)=NOCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589903384 1349059603 /nfs/dbraw/zinc/05/96/03/1349059603.db2.gz AQMIFXTUHAZWCR-UHFFFAOYSA-N -1 3 343.366 2.412 20 30 EEEDHM CC[C@H](C#N)N(CC)C(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590368106 1349287747 /nfs/dbraw/zinc/28/77/47/1349287747.db2.gz VXGOJRVWFILJCE-SWLSCSKDSA-N -1 3 326.404 2.196 20 30 EEEDHM CC[C@H](C#N)N(CC)C(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590368106 1349287753 /nfs/dbraw/zinc/28/77/53/1349287753.db2.gz VXGOJRVWFILJCE-SWLSCSKDSA-N -1 3 326.404 2.196 20 30 EEEDHM CCN(CCC1CC1)C(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590692005 1349391172 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C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC001602769627 1350584407 /nfs/dbraw/zinc/58/44/07/1350584407.db2.gz CCTGHETYASCOOD-JSGCOSHPSA-N -1 3 332.335 2.030 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC001602769627 1350584409 /nfs/dbraw/zinc/58/44/09/1350584409.db2.gz CCTGHETYASCOOD-JSGCOSHPSA-N -1 3 332.335 2.030 20 30 EEEDHM C=C1CC(C)(C(=O)N(C)CCOCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001602770535 1350584534 /nfs/dbraw/zinc/58/45/34/1350584534.db2.gz OBTGKVWBPXZPSG-UHFFFAOYSA-N -1 3 341.415 2.198 20 30 EEEDHM C=C1CC(C)(C(=O)N(C)CCOCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001602770535 1350584536 /nfs/dbraw/zinc/58/45/36/1350584536.db2.gz OBTGKVWBPXZPSG-UHFFFAOYSA-N -1 3 341.415 2.198 20 30 EEEDHM C=CC(C)(C)CC(=O)N(C)C[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001602785151 1350586505 /nfs/dbraw/zinc/58/65/05/1350586505.db2.gz NGTMHJVSGCAIQN-LBPRGKRZSA-N -1 3 343.435 2.123 20 30 EEEDHM C=CC(C)(C)CC(=O)N(C)C[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001602785151 1350586508 /nfs/dbraw/zinc/58/65/08/1350586508.db2.gz NGTMHJVSGCAIQN-LBPRGKRZSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)NCCCNc1snc(C)c1-c1nnn[n-]1 ZINC001602790965 1350587063 /nfs/dbraw/zinc/58/70/63/1350587063.db2.gz WLHBDAAUQXFJNU-HNNXBMFYSA-N -1 3 349.464 2.152 20 30 EEEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001602825150 1350591719 /nfs/dbraw/zinc/59/17/19/1350591719.db2.gz VGYDDAUIEFIOQO-XJKSGUPXSA-N -1 3 341.415 2.497 20 30 EEEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001602825150 1350591721 /nfs/dbraw/zinc/59/17/21/1350591721.db2.gz VGYDDAUIEFIOQO-XJKSGUPXSA-N -1 3 341.415 2.497 20 30 EEEDHM C=CCCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C[C@@H]1C ZINC001602824893 1350592011 /nfs/dbraw/zinc/59/20/11/1350592011.db2.gz QVMDNDDBVBKPLQ-JSGCOSHPSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C[C@@H]1C ZINC001602824893 1350592013 /nfs/dbraw/zinc/59/20/13/1350592013.db2.gz QVMDNDDBVBKPLQ-JSGCOSHPSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCN(CC(=O)OCC)Cc1cc(Cl)cc(-c2nnn[n-]2)c1 ZINC001602849536 1350595959 /nfs/dbraw/zinc/59/59/59/1350595959.db2.gz CBJPCJUYALASNO-UHFFFAOYSA-N -1 3 335.795 2.071 20 30 EEEDHM C=CCN(CC(=O)OCC)Cc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001602849536 1350595960 /nfs/dbraw/zinc/59/59/60/1350595960.db2.gz CBJPCJUYALASNO-UHFFFAOYSA-N -1 3 335.795 2.071 20 30 EEEDHM C[C@@H](C#N)OCCSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001602988835 1350619535 /nfs/dbraw/zinc/61/95/35/1350619535.db2.gz KMTKMJXPNAMNKP-LBPRGKRZSA-N -1 3 333.417 2.297 20 30 EEEDHM C[C@@H](C#N)OCCSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001602988835 1350619537 /nfs/dbraw/zinc/61/95/37/1350619537.db2.gz KMTKMJXPNAMNKP-LBPRGKRZSA-N -1 3 333.417 2.297 20 30 EEEDHM CC(C)(CC#N)CNC(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001603134889 1350647673 /nfs/dbraw/zinc/64/76/73/1350647673.db2.gz BWCYWZZCPTXJCZ-UHFFFAOYSA-N -1 3 344.394 2.339 20 30 EEEDHM CC(C)(CC#N)CNC(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001603134889 1350647680 /nfs/dbraw/zinc/64/76/80/1350647680.db2.gz BWCYWZZCPTXJCZ-UHFFFAOYSA-N -1 3 344.394 2.339 20 30 EEEDHM C[C@]1(C#N)CCCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603736104 1350755442 /nfs/dbraw/zinc/75/54/42/1350755442.db2.gz DXGOLJNHIFPENG-CQSZACIVSA-N -1 3 331.311 2.044 20 30 EEEDHM C[C@]1(C#N)CCCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603736104 1350755447 /nfs/dbraw/zinc/75/54/47/1350755447.db2.gz DXGOLJNHIFPENG-CQSZACIVSA-N -1 3 331.311 2.044 20 30 EEEDHM CCC(C)(C)CNC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603981615 1350819529 /nfs/dbraw/zinc/81/95/29/1350819529.db2.gz AGGXTCZLRHWOQC-AWEZNQCLSA-N -1 3 326.404 2.101 20 30 EEEDHM CCOC(=O)[C@]1(C)CCC[C@@H]1Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001604367787 1350924335 /nfs/dbraw/zinc/92/43/35/1350924335.db2.gz SVCDKZAEWWWECS-SUMWQHHRSA-N -1 3 340.387 2.272 20 30 EEEDHM CCOC(=O)[C@]1(C)CCC[C@@H]1Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001604367787 1350924336 /nfs/dbraw/zinc/92/43/36/1350924336.db2.gz SVCDKZAEWWWECS-SUMWQHHRSA-N -1 3 340.387 2.272 20 30 EEEDHM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1CC(=O)N(C)C1(C#N)CCCCC1 ZINC001604653819 1350977704 /nfs/dbraw/zinc/97/77/04/1350977704.db2.gz CARAYOWJRWVRMF-KBPBESRZSA-N -1 3 335.448 2.245 20 30 EEEDHM CN(Cc1cc(-c2nnn[n-]2)cs1)c1cccc(C#N)c1[N+](=O)[O-] ZINC001604801564 1351009663 /nfs/dbraw/zinc/00/96/63/1351009663.db2.gz OSHIKIQVUNEPSA-UHFFFAOYSA-N -1 3 341.356 2.344 20 30 EEEDHM CN(Cc1cc(-c2nn[n-]n2)cs1)c1cccc(C#N)c1[N+](=O)[O-] ZINC001604801564 1351009666 /nfs/dbraw/zinc/00/96/66/1351009666.db2.gz OSHIKIQVUNEPSA-UHFFFAOYSA-N -1 3 341.356 2.344 20 30 EEEDHM CO[C@@H](C)CNc1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2 ZINC001605144315 1351087885 /nfs/dbraw/zinc/08/78/85/1351087885.db2.gz VSOQVCNGSKMCRI-NSHDSACASA-N -1 3 341.419 2.239 20 30 EEEDHM CO[C@@H](C)CNc1nc2c(c(C#N)c1-c1nn[n-]n1)CCCCCC2 ZINC001605144315 1351087888 /nfs/dbraw/zinc/08/78/88/1351087888.db2.gz VSOQVCNGSKMCRI-NSHDSACASA-N -1 3 341.419 2.239 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(F)c(C#N)c1 ZINC001605177229 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/nfs/dbraw/zinc/27/48/71/1293274871.db2.gz AFBCEHVLRFNJCG-UAGQMJEPSA-N -1 3 340.423 2.452 20 30 EEEDHM Cc1cc(=O)c(C#N)c(OC2CCN(c3ncccc3C#N)CC2)[n-]1 ZINC001225468619 1301009152 /nfs/dbraw/zinc/00/91/52/1301009152.db2.gz BOTKQXVVBXQTMI-UHFFFAOYSA-N -1 3 335.367 2.282 20 30 EEEDHM Cc1cc(=O)c(C#N)c(OC[C@@H]2CN(Cc3ccccc3)CCO2)[n-]1 ZINC001225469715 1301010856 /nfs/dbraw/zinc/01/08/56/1301010856.db2.gz NHKQGMZRMUCTOM-INIZCTEOSA-N -1 3 339.395 2.247 20 30 EEEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CCN(Cc3ccccc3C#N)C2)[n-]1 ZINC001225470664 1301010972 /nfs/dbraw/zinc/01/09/72/1301010972.db2.gz YCHHBKJOZLDRQJ-MRXNPFEDSA-N -1 3 334.379 2.492 20 30 EEEDHM CC[C@@H](C#CC(=O)OC)Oc1cc(O)cc([O-])c1Br ZINC001229096596 1302613723 /nfs/dbraw/zinc/61/37/23/1302613723.db2.gz FTDBVEPTSVOQAR-VIFPVBQESA-N -1 3 329.146 2.194 20 30 EEEDHM CCC1=C(Oc2[n-]c(=O)nc3cc(C(=O)OC)ccc32)C(=O)[C@@H](C)O1 ZINC001230204220 1303112068 /nfs/dbraw/zinc/11/20/68/1303112068.db2.gz BDDAEZHEQDSWBJ-MRVPVSSYSA-N -1 3 344.323 2.110 20 30 EEEDHM N#Cc1cccc2nc(=O)[n-]c(O[C@H]3CCCC4(C3)OCCO4)c12 ZINC001234513707 1304948456 /nfs/dbraw/zinc/94/84/56/1304948456.db2.gz OPHIPNQXQVDGOS-LBPRGKRZSA-N -1 3 327.340 2.272 20 30 EEEDHM N#Cc1cccc2nc(=O)[n-]c(O[C@@H]3CCCC4(C3)OCCO4)c12 ZINC001234513706 1304948836 /nfs/dbraw/zinc/94/88/36/1304948836.db2.gz OPHIPNQXQVDGOS-GFCCVEGCSA-N -1 3 327.340 2.272 20 30 EEEDHM CN(C(=O)c1ccccc1[O-])[C@@H](CNc1cncc(C#N)n1)C1CC1 ZINC001115472674 1305179451 /nfs/dbraw/zinc/17/94/51/1305179451.db2.gz ZNFMWXPPPYQUIO-HNNXBMFYSA-N -1 3 337.383 2.017 20 30 EEEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(C)[C@H](C)CCSC ZINC001121636166 1310081996 /nfs/dbraw/zinc/08/19/96/1310081996.db2.gz RSKANDJNRFNTBF-LLVKDONJSA-N -1 3 334.449 2.205 20 30 EEEDHM N#Cc1ccccc1OC1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001139096894 1314701457 /nfs/dbraw/zinc/70/14/57/1314701457.db2.gz PBSSIUDRBSZIMX-UHFFFAOYSA-N -1 3 332.367 2.002 20 30 EEEDHM N#Cc1ccccc1OC1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001139096894 1314701462 /nfs/dbraw/zinc/70/14/62/1314701462.db2.gz PBSSIUDRBSZIMX-UHFFFAOYSA-N -1 3 332.367 2.002 20 30 EEEDHM COC(=O)C1(C#N)CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000834202416 1314809214 /nfs/dbraw/zinc/80/92/14/1314809214.db2.gz WZMLVAXLQXQMCF-UHFFFAOYSA-N -1 3 330.384 2.435 20 30 EEEDHM N#Cc1cc(NC(=O)[C@H]2CC(=O)N(Cc3cccs3)C2)ccc1[O-] ZINC001142361257 1315582712 /nfs/dbraw/zinc/58/27/12/1315582712.db2.gz YFKAAWRTDFYXHQ-LBPRGKRZSA-N -1 3 341.392 2.313 20 30 EEEDHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1cnc(C#N)cn1 ZINC001151365327 1316513280 /nfs/dbraw/zinc/51/32/80/1316513280.db2.gz VIOWVWJFFNMNJF-UHFFFAOYSA-N -1 3 335.323 2.259 20 30 EEEDHM COc1cc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c(F)cn1 ZINC001259412726 1319559745 /nfs/dbraw/zinc/55/97/45/1319559745.db2.gz HQZGNRZGPHJRKH-UHFFFAOYSA-N -1 3 325.296 2.041 20 30 EEEDHM COC(=O)c1cc([N-]S(=O)(=O)CCc2ccccc2)ccc1C#N ZINC001259738576 1319654968 /nfs/dbraw/zinc/65/49/68/1319654968.db2.gz HVWLXEDMUNULLP-UHFFFAOYSA-N -1 3 344.392 2.329 20 30 EEEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(F)(F)c1nc(Cl)c2ccccc2n1 ZINC001160173708 1320089460 /nfs/dbraw/zinc/08/94/60/1320089460.db2.gz RAGUKQCTLIOFAL-XVKPBYJWSA-N -1 3 342.733 2.158 20 30 EEEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cc(Cl)ncc1C(=O)OC(C)(C)C ZINC001160174786 1320089546 /nfs/dbraw/zinc/08/95/46/1320089546.db2.gz OSGGTWTWVXLHQI-UFBFGSQYSA-N -1 3 341.795 2.338 20 30 EEEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cc(Cl)nc(Cc2ccccc2)n1 ZINC001160174729 1320089606 /nfs/dbraw/zinc/08/96/06/1320089606.db2.gz KYNOYDGHGJWMTK-BONVTDFDSA-N -1 3 332.791 2.369 20 30 EEEDHM Cc1ncc(Nc2ccc([C@H](C#N)c3ccccc3F)nn2)c(=O)[n-]1 ZINC001162300481 1320814832 /nfs/dbraw/zinc/81/48/32/1320814832.db2.gz IBQVHAQIYSVSJH-IUODEOHRSA-N -1 3 336.330 2.081 20 30 EEEDHM C#CC(CC)(CC)[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261065678 1322007656 /nfs/dbraw/zinc/00/76/56/1322007656.db2.gz BGHHVVAQWVBTJU-UHFFFAOYSA-N -1 3 327.793 2.347 20 30 EEEDHM C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001602717878 1350577066 /nfs/dbraw/zinc/57/70/66/1350577066.db2.gz GCOLCISYYJSOAT-UHFFFAOYSA-N -1 3 335.342 2.281 20 30 EEEDHM C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001602717878 1350577071 /nfs/dbraw/zinc/57/70/71/1350577071.db2.gz GCOLCISYYJSOAT-UHFFFAOYSA-N -1 3 335.342 2.281 20 30 EEEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC1(C#N)CCCC1 ZINC001605249060 1351115367 /nfs/dbraw/zinc/11/53/67/1351115367.db2.gz CSOGWWVTEVHGSW-UHFFFAOYSA-N -1 3 341.375 2.081 20 30 EEEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC1(C#N)CCCC1 ZINC001605249060 1351115373 /nfs/dbraw/zinc/11/53/73/1351115373.db2.gz CSOGWWVTEVHGSW-UHFFFAOYSA-N -1 3 341.375 2.081 20 30 EEEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC001306856821 1331491898 /nfs/dbraw/zinc/49/18/98/1331491898.db2.gz OMHHFRQDJRMYFM-KRWDZBQOSA-N -1 3 338.407 2.426 20 30 EEEDHM Cc1cc(S(=O)(=O)[N-]CC2(C#N)CCCC2)c(F)cc1[N+](=O)[O-] ZINC001309640010 1331636663 /nfs/dbraw/zinc/63/66/63/1331636663.db2.gz AOVMUJWTRKVRPQ-UHFFFAOYSA-N -1 3 341.364 2.405 20 30 EEEDHM C#Cc1cncc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001609021737 1351817311 /nfs/dbraw/zinc/81/73/11/1351817311.db2.gz ACTQWLSEPCMEAL-ZDUSSCGKSA-N -1 3 346.394 2.466 20 30 EEEDHM C#Cc1cncc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001609021737 1351817314 /nfs/dbraw/zinc/81/73/14/1351817314.db2.gz ACTQWLSEPCMEAL-ZDUSSCGKSA-N -1 3 346.394 2.466 20 30 EEEDHM C=CCN(CC=C)[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC001609055751 1351825446 /nfs/dbraw/zinc/82/54/46/1351825446.db2.gz TZOOCGISXMYUOO-LLVKDONJSA-N -1 3 330.392 2.078 20 30 EEEDHM C=CCN(CC=C)[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC001609055751 1351825450 /nfs/dbraw/zinc/82/54/50/1351825450.db2.gz TZOOCGISXMYUOO-LLVKDONJSA-N -1 3 330.392 2.078 20 30 EEEDHM Cc1cc(C#N)nc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)n1 ZINC001609393379 1351958073 /nfs/dbraw/zinc/95/80/73/1351958073.db2.gz SFUDTVJSYXCTDN-HNNXBMFYSA-N -1 3 332.371 2.326 20 30 EEEDHM Cc1cc(C#N)nc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)n1 ZINC001609393379 1351958074 /nfs/dbraw/zinc/95/80/74/1351958074.db2.gz SFUDTVJSYXCTDN-HNNXBMFYSA-N -1 3 332.371 2.326 20 30 EEEDHM Cc1ccc(NC(=O)[C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001609425513 1351972327 /nfs/dbraw/zinc/97/23/27/1351972327.db2.gz TWCPBIAWJRTYJK-HNNXBMFYSA-N -1 3 332.367 2.496 20 30 EEEDHM Cc1ccc(NC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001609425513 1351972330 /nfs/dbraw/zinc/97/23/30/1351972330.db2.gz TWCPBIAWJRTYJK-HNNXBMFYSA-N -1 3 332.367 2.496 20 30 EEEDHM Clc1cccc2c1C(=NNCc1ccc(-c3nnn[n-]3)cc1)CO2 ZINC001609474102 1351990672 /nfs/dbraw/zinc/99/06/72/1351990672.db2.gz GMOOPBSTXQAWBU-UHFFFAOYSA-N -1 3 340.774 2.406 20 30 EEEDHM Clc1cccc2c1C(=NNCc1ccc(-c3nn[n-]n3)cc1)CO2 ZINC001609474102 1351990673 /nfs/dbraw/zinc/99/06/73/1351990673.db2.gz GMOOPBSTXQAWBU-UHFFFAOYSA-N -1 3 340.774 2.406 20 30 EEEDHM CC(C)(C#N)c1ccccc1CN1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001609647282 1352049729 /nfs/dbraw/zinc/04/97/29/1352049729.db2.gz APHDFAGITZBHDA-AWEZNQCLSA-N -1 3 339.399 2.224 20 30 EEEDHM C=CCn1c(CCc2nnn[n-]2)nnc1N1CCC[C@@H]1[C@H](C)CCC ZINC001340359250 1337167842 /nfs/dbraw/zinc/16/78/42/1337167842.db2.gz QREUPJZAKGQYFX-ZIAGYGMSSA-N -1 3 344.467 2.167 20 30 EEEDHM C=CCn1c(CCc2nn[n-]n2)nnc1N1CCC[C@@H]1[C@H](C)CCC ZINC001340359250 1337167845 /nfs/dbraw/zinc/16/78/45/1337167845.db2.gz QREUPJZAKGQYFX-ZIAGYGMSSA-N -1 3 344.467 2.167 20 30 EEEDHM O=C(CCc1c(Cl)cccc1Cl)N[C@@H]1CCCN([O-])C1=O ZINC000848130586 1338527877 /nfs/dbraw/zinc/52/78/77/1338527877.db2.gz MHRMDPDDXLWROH-GFCCVEGCSA-N -1 3 331.199 2.422 20 30 EEEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(CC)CCOCC ZINC001355958773 1338774101 /nfs/dbraw/zinc/77/41/01/1338774101.db2.gz TZTNPUWYHSZCLF-UHFFFAOYSA-N -1 3 346.435 2.188 20 30 EEEDHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1cccc(C#N)c1 ZINC001575327749 1343776632 /nfs/dbraw/zinc/77/66/32/1343776632.db2.gz SJCJTJCKYQORQC-SNVBAGLBSA-N -1 3 336.330 2.368 20 30 EEEDHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1cccc(C#N)c1 ZINC001575327749 1343776635 /nfs/dbraw/zinc/77/66/35/1343776635.db2.gz SJCJTJCKYQORQC-SNVBAGLBSA-N -1 3 336.330 2.368 20 30 EEEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N(CCC#N)Cc1ccccn1 ZINC001581133347 1344590359 /nfs/dbraw/zinc/59/03/59/1344590359.db2.gz YJSWZLPZPSVVEK-UHFFFAOYSA-N -1 3 347.382 2.126 20 30 EEEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N(CCC#N)Cc1ccccn1 ZINC001581133347 1344590362 /nfs/dbraw/zinc/59/03/62/1344590362.db2.gz YJSWZLPZPSVVEK-UHFFFAOYSA-N -1 3 347.382 2.126 20 30 EEEDHM N#CCc1cccc2c1CCN(C(=O)c1cccc(-c3nnn[n-]3)c1)C2 ZINC001581859733 1344680189 /nfs/dbraw/zinc/68/01/89/1344680189.db2.gz SGCOUSUFGLJMQO-UHFFFAOYSA-N -1 3 344.378 2.131 20 30 EEEDHM N#CCc1cccc2c1CCN(C(=O)c1cccc(-c3nn[n-]n3)c1)C2 ZINC001581859733 1344680194 /nfs/dbraw/zinc/68/01/94/1344680194.db2.gz SGCOUSUFGLJMQO-UHFFFAOYSA-N -1 3 344.378 2.131 20 30 EEEDHM C#C[C@@H](CCC)NC(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588327020 1348887111 /nfs/dbraw/zinc/88/71/11/1348887111.db2.gz AESCJFMLJCBHAX-HOCLYGCPSA-N -1 3 338.415 2.345 20 30 EEEDHM C#C[C@@H](CCC)NC(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588327020 1348887117 /nfs/dbraw/zinc/88/71/17/1348887117.db2.gz AESCJFMLJCBHAX-HOCLYGCPSA-N -1 3 338.415 2.345 20 30 EEEDHM C#C[C@@H](NC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1 ZINC001588329642 1348888274 /nfs/dbraw/zinc/88/82/74/1348888274.db2.gz KNPMWQOGSMJMBV-QGZVFWFLSA-N -1 3 344.378 2.266 20 30 EEEDHM C#C[C@@H](NC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1 ZINC001588329642 1348888278 /nfs/dbraw/zinc/88/82/78/1348888278.db2.gz KNPMWQOGSMJMBV-QGZVFWFLSA-N -1 3 344.378 2.266 20 30 EEEDHM C#CC1CCN(c2nc3cc(Cl)ccn3c2-c2nnn[n-]2)CC1 ZINC001588330778 1348889780 /nfs/dbraw/zinc/88/97/80/1348889780.db2.gz JOZNWUGBPVYMJO-UHFFFAOYSA-N -1 3 327.779 2.017 20 30 EEEDHM C#CC1CCN(c2nc3cc(Cl)ccn3c2-c2nn[n-]n2)CC1 ZINC001588330778 1348889784 /nfs/dbraw/zinc/88/97/84/1348889784.db2.gz JOZNWUGBPVYMJO-UHFFFAOYSA-N -1 3 327.779 2.017 20 30 EEEDHM C#C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C)C(C)(C)C ZINC001588330341 1348890107 /nfs/dbraw/zinc/89/01/07/1348890107.db2.gz ZKEAKOXXIPYAKC-CYBMUJFWSA-N -1 3 330.367 2.484 20 30 EEEDHM C#C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C)C(C)(C)C ZINC001588330341 1348890110 /nfs/dbraw/zinc/89/01/10/1348890110.db2.gz ZKEAKOXXIPYAKC-CYBMUJFWSA-N -1 3 330.367 2.484 20 30 EEEDHM C#CC[C@H]1CCCN(C(=O)Nc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001588335619 1348892207 /nfs/dbraw/zinc/89/22/07/1348892207.db2.gz SIPMTAYKLLYSRG-LBPRGKRZSA-N -1 3 340.387 2.143 20 30 EEEDHM C#CC[C@H]1CCCN(C(=O)Nc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001588335619 1348892212 /nfs/dbraw/zinc/89/22/12/1348892212.db2.gz SIPMTAYKLLYSRG-LBPRGKRZSA-N -1 3 340.387 2.143 20 30 EEEDHM C#CCOc1cccc(OC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001588363321 1348896138 /nfs/dbraw/zinc/89/61/38/1348896138.db2.gz ZAGLHFUDFTZJTF-UHFFFAOYSA-N -1 3 338.298 2.237 20 30 EEEDHM C#CCOc1cccc(OC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001588363321 1348896142 /nfs/dbraw/zinc/89/61/42/1348896142.db2.gz ZAGLHFUDFTZJTF-UHFFFAOYSA-N -1 3 338.298 2.237 20 30 EEEDHM C#Cc1ccc(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC001588373724 1348896220 /nfs/dbraw/zinc/89/62/20/1348896220.db2.gz RQDACDHGIJRHMU-UHFFFAOYSA-N -1 3 336.330 2.309 20 30 EEEDHM C#Cc1ccc(CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC001588373724 1348896234 /nfs/dbraw/zinc/89/62/34/1348896234.db2.gz RQDACDHGIJRHMU-UHFFFAOYSA-N -1 3 336.330 2.309 20 30 EEEDHM C=CC(C)(C)CCCNC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001588488222 1348909024 /nfs/dbraw/zinc/90/90/24/1348909024.db2.gz YCAGDZMQNYCOSA-UHFFFAOYSA-N -1 3 328.420 2.387 20 30 EEEDHM C=CCCC(=O)N[C@H](C)CCCNc1snc(C)c1-c1nnn[n-]1 ZINC001588571837 1348918721 /nfs/dbraw/zinc/91/87/21/1348918721.db2.gz QBDFVBWOOHEMCH-SNVBAGLBSA-N -1 3 349.464 2.295 20 30 EEEDHM C=CCCCS(=O)(=O)N(CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588601156 1348923108 /nfs/dbraw/zinc/92/31/08/1348923108.db2.gz WMZZXGANRZHCFU-UHFFFAOYSA-N -1 3 347.444 2.151 20 30 EEEDHM C=CCCCS(=O)(=O)N(CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588601156 1348923110 /nfs/dbraw/zinc/92/31/10/1348923110.db2.gz WMZZXGANRZHCFU-UHFFFAOYSA-N -1 3 347.444 2.151 20 30 EEEDHM C=CCCCN(CC)C(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001588601260 1348923207 /nfs/dbraw/zinc/92/32/07/1348923207.db2.gz HFXCMCFHMQUZAY-UHFFFAOYSA-N -1 3 328.420 2.407 20 30 EEEDHM C=CCCCN(CC)C(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001588601260 1348923209 /nfs/dbraw/zinc/92/32/09/1348923209.db2.gz HFXCMCFHMQUZAY-UHFFFAOYSA-N -1 3 328.420 2.407 20 30 EEEDHM C=CCCN(C)C(=O)NCc1ccc(SC)c(-c2nnn[n-]2)c1 ZINC001588603228 1348923253 /nfs/dbraw/zinc/92/32/53/1348923253.db2.gz INEVEPUONAZGLX-UHFFFAOYSA-N -1 3 332.433 2.306 20 30 EEEDHM C=CCCN(C)C(=O)NCc1ccc(SC)c(-c2nn[n-]n2)c1 ZINC001588603228 1348923255 /nfs/dbraw/zinc/92/32/55/1348923255.db2.gz INEVEPUONAZGLX-UHFFFAOYSA-N -1 3 332.433 2.306 20 30 EEEDHM C=CCN1CC[C@H](Sc2c(Cl)cccc2-c2nnn[n-]2)C1=O ZINC001588657473 1348928453 /nfs/dbraw/zinc/92/84/53/1348928453.db2.gz OAIRMAOHLFWECG-NSHDSACASA-N -1 3 335.820 2.399 20 30 EEEDHM C=CCN1CC[C@H](Sc2c(Cl)cccc2-c2nn[n-]n2)C1=O ZINC001588657473 1348928454 /nfs/dbraw/zinc/92/84/54/1348928454.db2.gz OAIRMAOHLFWECG-NSHDSACASA-N -1 3 335.820 2.399 20 30 EEEDHM C[C@](O)(CNc1c(C#N)cccc1-c1nnn[n-]1)c1ccsc1 ZINC001589990385 1349096331 /nfs/dbraw/zinc/09/63/31/1349096331.db2.gz HXYFXZLDCGQUAC-HNNXBMFYSA-N -1 3 326.385 2.119 20 30 EEEDHM C[C@](O)(CNc1c(C#N)cccc1-c1nn[n-]n1)c1ccsc1 ZINC001589990385 1349096336 /nfs/dbraw/zinc/09/63/36/1349096336.db2.gz HXYFXZLDCGQUAC-HNNXBMFYSA-N -1 3 326.385 2.119 20 30 EEEDHM C[C@H](Nc1nc2c(cc1C#N)COCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC001589992424 1349097486 /nfs/dbraw/zinc/09/74/86/1349097486.db2.gz VLSBRDICPFOPBJ-NSHDSACASA-N -1 3 347.382 2.379 20 30 EEEDHM C[C@H](Nc1nc2c(cc1C#N)COCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC001589992424 1349097490 /nfs/dbraw/zinc/09/74/90/1349097490.db2.gz VLSBRDICPFOPBJ-NSHDSACASA-N -1 3 347.382 2.379 20 30 EEEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC001590032527 1349118602 /nfs/dbraw/zinc/11/86/02/1349118602.db2.gz DCGWOENFUNGUOC-BDJLRTHQSA-N -1 3 344.444 2.402 20 30 EEEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC001590032527 1349118607 /nfs/dbraw/zinc/11/86/07/1349118607.db2.gz DCGWOENFUNGUOC-BDJLRTHQSA-N -1 3 344.444 2.402 20 30 EEEDHM C[C@]1(C#N)CCCN(C(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC001590054489 1349133173 /nfs/dbraw/zinc/13/31/73/1349133173.db2.gz KURKXKLNULHYPF-QGZVFWFLSA-N -1 3 336.399 2.051 20 30 EEEDHM C[C@]1(C#N)CCCN(C(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC001590054489 1349133179 /nfs/dbraw/zinc/13/31/79/1349133179.db2.gz KURKXKLNULHYPF-QGZVFWFLSA-N -1 3 336.399 2.051 20 30 EEEDHM CC1(C#N)CCN(C(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)CC1 ZINC001590053447 1349133287 /nfs/dbraw/zinc/13/32/87/1349133287.db2.gz AQDXJESXGLHPLD-UHFFFAOYSA-N -1 3 336.399 2.051 20 30 EEEDHM CC1(C#N)CCN(C(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)CC1 ZINC001590053447 1349133292 /nfs/dbraw/zinc/13/32/92/1349133292.db2.gz AQDXJESXGLHPLD-UHFFFAOYSA-N -1 3 336.399 2.051 20 30 EEEDHM C[C@]1(C#N)CCCN(C(=O)c2c[nH]c3cccc(-c4nnn[n-]4)c23)C1 ZINC001590054647 1349133535 /nfs/dbraw/zinc/13/35/35/1349133535.db2.gz MOZOHYPAPBYGRM-QGZVFWFLSA-N -1 3 335.371 2.114 20 30 EEEDHM C[C@]1(C#N)CCCN(C(=O)c2c[nH]c3cccc(-c4nn[n-]n4)c23)C1 ZINC001590054647 1349133541 /nfs/dbraw/zinc/13/35/41/1349133541.db2.gz MOZOHYPAPBYGRM-QGZVFWFLSA-N -1 3 335.371 2.114 20 30 EEEDHM CC1CC(C#N)(C(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001590179834 1349183930 /nfs/dbraw/zinc/18/39/30/1349183930.db2.gz HWJPFMXEFBVMRJ-UHFFFAOYSA-N -1 3 330.779 2.076 20 30 EEEDHM CC1CC(C#N)(C(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001590179834 1349183934 /nfs/dbraw/zinc/18/39/34/1349183934.db2.gz HWJPFMXEFBVMRJ-UHFFFAOYSA-N -1 3 330.779 2.076 20 30 EEEDHM COC1(c2ccccc2)CN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001591346611 1349466579 /nfs/dbraw/zinc/46/65/79/1349466579.db2.gz NGILNFOPGPHSCT-UHFFFAOYSA-N -1 3 332.367 2.100 20 30 EEEDHM COC1(c2ccccc2)CN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001591346611 1349466583 /nfs/dbraw/zinc/46/65/83/1349466583.db2.gz NGILNFOPGPHSCT-UHFFFAOYSA-N -1 3 332.367 2.100 20 30 EEEDHM Cn1cc(-c2cccc(Nc3c(C#N)cccc3-c3nnn[n-]3)c2)nn1 ZINC001592558442 1349657863 /nfs/dbraw/zinc/65/78/63/1349657863.db2.gz KAWXXVLIPFFDTK-UHFFFAOYSA-N -1 3 343.354 2.277 20 30 EEEDHM Cn1cc(-c2cccc(Nc3c(C#N)cccc3-c3nn[n-]n3)c2)nn1 ZINC001592558442 1349657864 /nfs/dbraw/zinc/65/78/64/1349657864.db2.gz KAWXXVLIPFFDTK-UHFFFAOYSA-N -1 3 343.354 2.277 20 30 EEEDHM Cn1ncc(C2CCC2)c1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001592600571 1349667154 /nfs/dbraw/zinc/66/71/54/1349667154.db2.gz MLNSKQQUSPQUPR-UHFFFAOYSA-N -1 3 334.387 2.351 20 30 EEEDHM Cn1ncc(C2CCC2)c1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001592600571 1349667170 /nfs/dbraw/zinc/66/71/70/1349667170.db2.gz MLNSKQQUSPQUPR-UHFFFAOYSA-N -1 3 334.387 2.351 20 30 EEEDHM N#CC1(NC(=O)c2cc(-c3nnn[n-]3)ccc2Cl)CCCCC1 ZINC001592670875 1349703733 /nfs/dbraw/zinc/70/37/33/1349703733.db2.gz SUQPHXPUMZXJPB-UHFFFAOYSA-N -1 3 330.779 2.476 20 30 EEEDHM N#CC1(NC(=O)c2cc(-c3nn[n-]n3)ccc2Cl)CCCCC1 ZINC001592670875 1349703735 /nfs/dbraw/zinc/70/37/35/1349703735.db2.gz SUQPHXPUMZXJPB-UHFFFAOYSA-N -1 3 330.779 2.476 20 30 EEEDHM N#Cc1ccc2c(c1)CCCN2C(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001592698283 1349707800 /nfs/dbraw/zinc/70/78/00/1349707800.db2.gz TZNPKQWFEQUCFH-UHFFFAOYSA-N -1 3 348.341 2.470 20 30 EEEDHM N#Cc1ccc2c(c1)CCCN2C(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001592698283 1349707803 /nfs/dbraw/zinc/70/78/03/1349707803.db2.gz TZNPKQWFEQUCFH-UHFFFAOYSA-N -1 3 348.341 2.470 20 30 EEEDHM N#Cc1cccc2c1CN(C(=O)c1ccc(-c3nnn[n-]3)cc1F)C2 ZINC001592703325 1349708482 /nfs/dbraw/zinc/70/84/82/1349708482.db2.gz OSMQPIZJWMOIFU-UHFFFAOYSA-N -1 3 334.314 2.033 20 30 EEEDHM N#Cc1cccc2c1CN(C(=O)c1ccc(-c3nn[n-]n3)cc1F)C2 ZINC001592703325 1349708486 /nfs/dbraw/zinc/70/84/86/1349708486.db2.gz OSMQPIZJWMOIFU-UHFFFAOYSA-N -1 3 334.314 2.033 20 30 EEEDHM N#Cc1cccc2c1CCN2Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001592703384 1349708501 /nfs/dbraw/zinc/70/85/01/1349708501.db2.gz SENKYPVUNNUPQE-UHFFFAOYSA-N -1 3 347.338 2.209 20 30 EEEDHM N#Cc1cccc2c1CCN2Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001592703384 1349708505 /nfs/dbraw/zinc/70/85/05/1349708505.db2.gz SENKYPVUNNUPQE-UHFFFAOYSA-N -1 3 347.338 2.209 20 30 EEEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2)COc2cc3c(cc21)OCO3 ZINC001593376315 1349794070 /nfs/dbraw/zinc/79/40/70/1349794070.db2.gz HVTZIGMDDWCUKN-LFYBBSHMSA-N -1 3 348.318 2.254 20 30 EEEDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2)COc2cc3c(cc21)OCO3 ZINC001593376315 1349794074 /nfs/dbraw/zinc/79/40/74/1349794074.db2.gz HVTZIGMDDWCUKN-LFYBBSHMSA-N -1 3 348.318 2.254 20 30 EEEDHM N#CC(C(=O)c1cc(Br)cc(C(=O)[O-])c1)c1ccncn1 ZINC001601047334 1350196968 /nfs/dbraw/zinc/19/69/68/1350196968.db2.gz MXXYQMMJEYYSTQ-NSHDSACASA-N -1 3 346.140 2.427 20 30 EEEDHM N#CC1(NC(=O)CN2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)CCCCC1 ZINC001601057098 1350199857 /nfs/dbraw/zinc/19/98/57/1350199857.db2.gz LPTSOFGROYARGT-OWCLPIDISA-N -1 3 347.459 2.294 20 30 EEEDHM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(c3cccc(O)c3)CC2)cc1 ZINC001601095386 1350208167 /nfs/dbraw/zinc/20/81/67/1350208167.db2.gz PGUJPXCVXPITLZ-GOSISDBHSA-N -1 3 337.379 2.212 20 30 EEEDHM C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001602788020 1350586741 /nfs/dbraw/zinc/58/67/41/1350586741.db2.gz CKTYJWQBABQTEP-ZJUUUORDSA-N -1 3 343.836 2.017 20 30 EEEDHM C=CC[C@H](NC(=O)c1cc(-c2nnn[n-]2)ccc1F)c1ccncc1 ZINC001602816891 1350590507 /nfs/dbraw/zinc/59/05/07/1350590507.db2.gz WKHCEXOLHJRGSH-HNNXBMFYSA-N -1 3 338.346 2.448 20 30 EEEDHM C=CC[C@H](NC(=O)c1cc(-c2nn[n-]n2)ccc1F)c1ccncc1 ZINC001602816891 1350590510 /nfs/dbraw/zinc/59/05/10/1350590510.db2.gz WKHCEXOLHJRGSH-HNNXBMFYSA-N -1 3 338.346 2.448 20 30 EEEDHM C=CCCC(C)(C)NC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001602833246 1350593304 /nfs/dbraw/zinc/59/33/04/1350593304.db2.gz IHWSZTFYLMSAOC-UHFFFAOYSA-N -1 3 328.420 2.407 20 30 EEEDHM C=CCCC(C)(C)NC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001602833246 1350593307 /nfs/dbraw/zinc/59/33/07/1350593307.db2.gz IHWSZTFYLMSAOC-UHFFFAOYSA-N -1 3 328.420 2.407 20 30 EEEDHM C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001603138899 1350648285 /nfs/dbraw/zinc/64/82/85/1350648285.db2.gz XHBAAZTZTBNTTB-SQWLQELKSA-N -1 3 329.400 2.117 20 30 EEEDHM C[C@@H](NC(=O)Nc1cccc(C#N)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC001603633023 1350731685 /nfs/dbraw/zinc/73/16/85/1350731685.db2.gz BYLCLDWFHKQSRI-SNVBAGLBSA-N -1 3 334.343 2.016 20 30 EEEDHM C[C@@H](NC(=O)Nc1cccc(C#N)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603633023 1350731688 /nfs/dbraw/zinc/73/16/88/1350731688.db2.gz BYLCLDWFHKQSRI-SNVBAGLBSA-N -1 3 334.343 2.016 20 30 EEEDHM CN(Cc1cc(-c2nnn[n-]2)cs1)C(=O)Cc1ccc(C#N)cc1 ZINC001604797238 1351007336 /nfs/dbraw/zinc/00/73/36/1351007336.db2.gz MZAZODQFXMCLTC-UHFFFAOYSA-N -1 3 338.396 2.001 20 30 EEEDHM CN(Cc1cc(-c2nn[n-]n2)cs1)C(=O)Cc1ccc(C#N)cc1 ZINC001604797238 1351007337 /nfs/dbraw/zinc/00/73/37/1351007337.db2.gz MZAZODQFXMCLTC-UHFFFAOYSA-N -1 3 338.396 2.001 20 30 EEEDHM Cc1cc(C#N)cc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001605588843 1351195859 /nfs/dbraw/zinc/19/58/59/1351195859.db2.gz KPYKANQVNDORIE-LBPRGKRZSA-N -1 3 348.366 2.453 20 30 EEEDHM Cc1oc(C#N)cc1C(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001606172177 1351281427 /nfs/dbraw/zinc/28/14/27/1351281427.db2.gz OTKPNABSRXVJJW-JTQLQIEISA-N -1 3 336.355 2.473 20 30 EEEDHM Cc1oc(C#N)cc1C(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001606172177 1351281430 /nfs/dbraw/zinc/28/14/30/1351281430.db2.gz OTKPNABSRXVJJW-JTQLQIEISA-N -1 3 336.355 2.473 20 30 EEEDHM N#C[C@@H](C(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccc2ccccc2n1 ZINC001606337049 1351294585 /nfs/dbraw/zinc/29/45/85/1351294585.db2.gz PQXDEHWLDANPQQ-CYBMUJFWSA-N -1 3 341.334 2.300 20 30 EEEDHM N#CCN(Cc1ccc(Br)cc1-c1nnn[n-]1)C1CC1 ZINC001606350360 1351296716 /nfs/dbraw/zinc/29/67/16/1351296716.db2.gz UIPNOTSKHKKKKO-UHFFFAOYSA-N -1 3 333.193 2.117 20 30 EEEDHM N#CCN(Cc1ccc(Br)cc1-c1nn[n-]n1)C1CC1 ZINC001606350360 1351296719 /nfs/dbraw/zinc/29/67/19/1351296719.db2.gz UIPNOTSKHKKKKO-UHFFFAOYSA-N -1 3 333.193 2.117 20 30 EEEDHM N#CCSCC(=O)N(c1cccc(-c2nnn[n-]2)c1)C1CCC1 ZINC001606351550 1351296874 /nfs/dbraw/zinc/29/68/74/1351296874.db2.gz VRLWMNQNQIOAKZ-UHFFFAOYSA-N -1 3 328.401 2.009 20 30 EEEDHM N#CCSCC(=O)N(c1cccc(-c2nn[n-]n2)c1)C1CCC1 ZINC001606351550 1351296879 /nfs/dbraw/zinc/29/68/79/1351296879.db2.gz VRLWMNQNQIOAKZ-UHFFFAOYSA-N -1 3 328.401 2.009 20 30 EEEDHM N#Cc1ccc2c(c1)CCCN2C(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001606381763 1351299114 /nfs/dbraw/zinc/29/91/14/1351299114.db2.gz UIKYMAXMPZUGEY-UHFFFAOYSA-N -1 3 348.341 2.470 20 30 EEEDHM N#Cc1ccc2c(c1)CCCN2C(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001606381763 1351299115 /nfs/dbraw/zinc/29/91/15/1351299115.db2.gz UIKYMAXMPZUGEY-UHFFFAOYSA-N -1 3 348.341 2.470 20 30 EEEDHM N#Cc1ccccc1CSCCNc1cc(-c2nnn[n-]2)ccn1 ZINC001606385179 1351299983 /nfs/dbraw/zinc/29/99/83/1351299983.db2.gz SONWLMJFBSOQRT-UHFFFAOYSA-N -1 3 337.412 2.479 20 30 EEEDHM N#Cc1ccccc1CSCCNc1cc(-c2nn[n-]n2)ccn1 ZINC001606385179 1351299984 /nfs/dbraw/zinc/29/99/84/1351299984.db2.gz SONWLMJFBSOQRT-UHFFFAOYSA-N -1 3 337.412 2.479 20 30 EEEDHM c1cc2c(cc1-c1nnn[n-]1)CCCC2=NNC[C@H]1CCSC1 ZINC001607123736 1351428332 /nfs/dbraw/zinc/42/83/32/1351428332.db2.gz OMBCJHRGAHLREJ-LLVKDONJSA-N -1 3 328.445 2.250 20 30 EEEDHM c1cc2c(cc1-c1nn[n-]n1)CCCC2=NNC[C@H]1CCSC1 ZINC001607123736 1351428335 /nfs/dbraw/zinc/42/83/35/1351428335.db2.gz OMBCJHRGAHLREJ-LLVKDONJSA-N -1 3 328.445 2.250 20 30 EEEDHM C=CC[C@@H](C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000831129391 1372366764 /nfs/dbraw/zinc/36/67/64/1372366764.db2.gz DMYPGNHKKVXWNR-CQSZACIVSA-N -1 3 340.345 2.483 20 30 EEEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837372910 1372783014 /nfs/dbraw/zinc/78/30/14/1372783014.db2.gz RNIOAMWJHUQBFS-NSHDSACASA-N -1 3 339.351 2.442 20 30 EEEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)NCC1(C#N)CCC1 ZINC001591985817 1403980432 /nfs/dbraw/zinc/98/04/32/1403980432.db2.gz YOIQZYJLKQJQNV-UHFFFAOYSA-N -1 3 329.339 2.130 20 30 EEEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)NCC1(C#N)CCC1 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/nfs/dbraw/zinc/26/35/73/1250263573.db2.gz BLOCJCKCKJQUOE-BNOWGMLFSA-N -1 3 348.834 2.147 20 30 EEEDHM C[C@@H](CNC(=O)c1cccc2n[n-]nc21)Nc1cccc(F)c1C#N ZINC001098072168 1251418285 /nfs/dbraw/zinc/41/82/85/1251418285.db2.gz ARTHETZTFDZCMG-JTQLQIEISA-N -1 3 338.346 2.199 20 30 EEEDHM COc1nc(S(=O)(=O)[N-]C(C)(C)c2ccc(C#N)cc2)ccc1F ZINC001190112919 1280685662 /nfs/dbraw/zinc/68/56/62/1280685662.db2.gz WMGYAWRUDCEJAX-UHFFFAOYSA-N -1 3 349.387 2.315 20 30 EEEDHM N#Cc1cc(NC(=O)c2cnc(-c3ccccn3)nc2O)ccc1[O-] ZINC001190633024 1280987561 /nfs/dbraw/zinc/98/75/61/1280987561.db2.gz QVAYMMOIOSKWAB-UHFFFAOYSA-N -1 3 333.307 2.074 20 30 EEEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(OC2CCOCC2)c(F)c1 ZINC001193148973 1282355226 /nfs/dbraw/zinc/35/52/26/1282355226.db2.gz IHKAACQOVXKGQN-JTQLQIEISA-N -1 3 328.365 2.037 20 30 EEEDHM C#CCNC(=O)[C@H]1CC12CCN(Cc1cc(F)c([O-])cc1F)CC2 ZINC001273677158 1283090457 /nfs/dbraw/zinc/09/04/57/1283090457.db2.gz IXNAJIHYOHKESM-CYBMUJFWSA-N -1 3 334.366 2.022 20 30 EEEDHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CC[C@H](C#N)CC2)cc1F ZINC001194991795 1283397788 /nfs/dbraw/zinc/39/77/88/1283397788.db2.gz MZCOHDBFRKZCIM-UMSPYCQHSA-N -1 3 339.392 2.009 20 30 EEEDHM N#Cc1cc(NC(=O)c2cncc(OCC(F)(F)F)n2)ccc1[O-] ZINC001198005017 1284922797 /nfs/dbraw/zinc/92/27/97/1284922797.db2.gz WSDYGGPNWOKFLF-UHFFFAOYSA-N -1 3 338.245 2.247 20 30 EEEDHM CC(C)C#CC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001073315729 1296868444 /nfs/dbraw/zinc/86/84/44/1296868444.db2.gz ZPSSZLWXXYVDSE-KRWDZBQOSA-N -1 3 342.439 2.409 20 30 EEEDHM Cn1cc(C[C@H](N)C(=O)Nc2ccc(C#N)cc2[O-])c2ccccc21 ZINC001218992172 1297898725 /nfs/dbraw/zinc/89/87/25/1297898725.db2.gz IKJNSNDRTPDIPM-HNNXBMFYSA-N -1 3 334.379 2.264 20 30 EEEDHM CN(CCNc1ncc(C#N)cc1Cl)C(=O)c1ccccc1[O-] ZINC001101520152 1299677611 /nfs/dbraw/zinc/67/76/11/1299677611.db2.gz LBPJDWYRPWPARE-UHFFFAOYSA-N -1 3 330.775 2.496 20 30 EEEDHM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](Oc2ccc3c([O-])coc3c2)C1 ZINC001225340037 1300968963 /nfs/dbraw/zinc/96/89/63/1300968963.db2.gz AISDMMKHMYFVIC-ZBEGNZNMSA-N -1 3 344.367 2.400 20 30 EEEDHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2nccc(/C=N/[O-])n2)CC1 ZINC001226254072 1301324023 /nfs/dbraw/zinc/32/40/23/1301324023.db2.gz QFJCKGUXJXEOTP-VBEHJTROSA-N -1 3 336.392 2.453 20 30 EEEDHM C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450937 1303800919 /nfs/dbraw/zinc/80/09/19/1303800919.db2.gz IRJCIJKYVZSRPM-LPHOPBHVSA-N -1 3 347.411 2.417 20 30 EEEDHM C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450937 1303800921 /nfs/dbraw/zinc/80/09/21/1303800921.db2.gz IRJCIJKYVZSRPM-LPHOPBHVSA-N -1 3 347.411 2.417 20 30 EEEDHM C=CCCn1cc(CNC[C@@H](Cc2ccccc2C)C(=O)[O-])nn1 ZINC001118437277 1308857145 /nfs/dbraw/zinc/85/71/45/1308857145.db2.gz BAKDNPSHKKZLNM-MRXNPFEDSA-N -1 3 328.416 2.196 20 30 EEEDHM C=CCOC(=O)c1ccc([N-]S(=O)(=O)C2CCOCC2)c(F)c1 ZINC001259915150 1319737040 /nfs/dbraw/zinc/73/70/40/1319737040.db2.gz PRDJXLPRUSHWEI-UHFFFAOYSA-N -1 3 343.376 2.089 20 30 EEEDHM [O-]c1cccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1Br ZINC000841631875 1315589863 /nfs/dbraw/zinc/58/98/63/1315589863.db2.gz HDVXEHHAVKWMNX-GHMZBOCLSA-N -1 3 337.221 2.349 20 30 EEEDHM N#Cc1ccccc1C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC001259081311 1319432984 /nfs/dbraw/zinc/43/29/84/1319432984.db2.gz MELSPCCGKNTETD-UHFFFAOYSA-N -1 3 326.299 2.454 20 30 EEEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC001160174312 1320090223 /nfs/dbraw/zinc/09/02/23/1320090223.db2.gz AWAKNKRQYBOVMS-RVBZMBCESA-N -1 3 332.429 2.464 20 30 EEEDHM CCN(c1ccccc1)c1cc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)ncn1 ZINC001160178963 1320091840 /nfs/dbraw/zinc/09/18/40/1320091840.db2.gz QUSZOWVBOFCEHU-LRDDRELGSA-N -1 3 327.388 2.283 20 30 EEEDHM N#Cc1ccc(CN2C[C@@H]3COC[C@H](C2)N3C2CCCC2)c([O-])c1 ZINC001276493703 1323605550 /nfs/dbraw/zinc/60/55/50/1323605550.db2.gz LUWXMLSQNHSMEN-HDICACEKSA-N -1 3 327.428 2.091 20 30 EEEDHM CCOC(Cc1c(Nc2cccnc2C#N)nc[n-]c1=O)OCC ZINC001210142255 1325175949 /nfs/dbraw/zinc/17/59/49/1325175949.db2.gz UULOBPGEJFIDBX-UHFFFAOYSA-N -1 3 329.360 2.134 20 30 EEEDHM Cc1c(NC(=O)N2CCC[C@](C)(C#N)C2)cccc1-c1nnn[n-]1 ZINC001591825728 1349542215 /nfs/dbraw/zinc/54/22/15/1349542215.db2.gz DLNNMINAFRMLII-MRXNPFEDSA-N -1 3 325.376 2.333 20 30 EEEDHM Cc1c(NC(=O)N2CCC[C@](C)(C#N)C2)cccc1-c1nn[n-]n1 ZINC001591825728 1349542223 /nfs/dbraw/zinc/54/22/23/1349542223.db2.gz DLNNMINAFRMLII-MRXNPFEDSA-N -1 3 325.376 2.333 20 30 EEEDHM N#CCCCC[C@H](N)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001601064947 1350201072 /nfs/dbraw/zinc/20/10/72/1350201072.db2.gz PWPSHCFUZNBKAB-QWHCGFSZSA-N -1 3 341.770 2.132 20 30 EEEDHM O=C([O-])C[C@@]1(NCC#Cc2ccc(OC(F)(F)F)cc2)CCOC1 ZINC001608686542 1351742045 /nfs/dbraw/zinc/74/20/45/1351742045.db2.gz KABGNBBIBIYBQW-HNNXBMFYSA-N -1 3 343.301 2.160 20 30 EEEDHM CNC([S-])=C(C([O-])=C1C=CC(=NC(N)=O)C=C1)[n+]1ccc(C)cc1 ZINC001318496107 1332552084 /nfs/dbraw/zinc/55/20/84/1332552084.db2.gz QXVUIFVTIWCXOU-UHFFFAOYSA-O -1 3 343.432 2.016 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)C(=O)NC(C)(C)C ZINC001609057052 1351826880 /nfs/dbraw/zinc/82/68/80/1351826880.db2.gz VYFALXMRMMLODV-CYBMUJFWSA-N -1 3 342.447 2.158 20 30 EEEDHM CCC(C)(C)N(CCC#N)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609182698 1351879375 /nfs/dbraw/zinc/87/93/75/1351879375.db2.gz MWSRIIGMWKAMTF-UHFFFAOYSA-N -1 3 326.404 2.340 20 30 EEEDHM CCC(C)(C)N(CCC#N)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609182698 1351879377 /nfs/dbraw/zinc/87/93/77/1351879377.db2.gz MWSRIIGMWKAMTF-UHFFFAOYSA-N -1 3 326.404 2.340 20 30 EEEDHM Fc1ccc(CON=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC001609490538 1351996983 /nfs/dbraw/zinc/99/69/83/1351996983.db2.gz CFSRBUHPMOOTIZ-UHFFFAOYSA-N -1 3 337.318 2.204 20 30 EEEDHM Fc1ccc(CON=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC001609490538 1351996986 /nfs/dbraw/zinc/99/69/86/1351996986.db2.gz CFSRBUHPMOOTIZ-UHFFFAOYSA-N -1 3 337.318 2.204 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCc1cccc([N+](=O)[O-])c1 ZINC001609499832 1351999746 /nfs/dbraw/zinc/99/97/46/1351999746.db2.gz LRWACVAUGJZJLV-UHFFFAOYSA-N -1 3 335.327 2.301 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCc1cccc([N+](=O)[O-])c1 ZINC001609499832 1351999750 /nfs/dbraw/zinc/99/97/50/1351999750.db2.gz LRWACVAUGJZJLV-UHFFFAOYSA-N -1 3 335.327 2.301 20 30 EEEDHM N#Cc1ccc(NN=Cc2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC001609499206 1352000292 /nfs/dbraw/zinc/00/02/92/1352000292.db2.gz ZIJCIWPURRPIJT-UHFFFAOYSA-N -1 3 325.282 2.463 20 30 EEEDHM N#Cc1ccc(NN=Cc2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC001609499206 1352000295 /nfs/dbraw/zinc/00/02/95/1352000295.db2.gz ZIJCIWPURRPIJT-UHFFFAOYSA-N -1 3 325.282 2.463 20 30 EEEDHM N#Cc1ncn(CCOc2ccc3ccccc3c2)c1-c1nnn[n-]1 ZINC001609501203 1352001119 /nfs/dbraw/zinc/00/11/19/1352001119.db2.gz HJHBHLJTMGJFQJ-UHFFFAOYSA-N -1 3 331.339 2.167 20 30 EEEDHM C=CC1CCN(c2nnc(-c3c[n-]oc3=O)n2C[C@H]2CCOC2)CC1 ZINC001344123973 1337366412 /nfs/dbraw/zinc/36/64/12/1337366412.db2.gz OFXFNTKRHFVTLB-CYBMUJFWSA-N -1 3 345.403 2.078 20 30 EEEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C)c(C#N)cn1 ZINC001578394264 1344272360 /nfs/dbraw/zinc/27/23/60/1344272360.db2.gz DZMQWCFWIRVGBP-UHFFFAOYSA-N -1 3 349.354 2.093 20 30 EEEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)c(C#N)cn1 ZINC001578394264 1344272365 /nfs/dbraw/zinc/27/23/65/1344272365.db2.gz DZMQWCFWIRVGBP-UHFFFAOYSA-N -1 3 349.354 2.093 20 30 EEEDHM Cc1cc(C)c(-c2nnn[n-]2)c(NC(=O)c2cccc(CC#N)c2)n1 ZINC001580890199 1344569555 /nfs/dbraw/zinc/56/95/55/1344569555.db2.gz LKWKIVZKKUVPPL-UHFFFAOYSA-N -1 3 333.355 2.197 20 30 EEEDHM Cc1cc(C)c(-c2nn[n-]n2)c(NC(=O)c2cccc(CC#N)c2)n1 ZINC001580890199 1344569558 /nfs/dbraw/zinc/56/95/58/1344569558.db2.gz LKWKIVZKKUVPPL-UHFFFAOYSA-N -1 3 333.355 2.197 20 30 EEEDHM Cc1ccc(C#N)cc1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001581138128 1344592061 /nfs/dbraw/zinc/59/20/61/1344592061.db2.gz RDBDBLAQAXFJSF-UHFFFAOYSA-N -1 3 332.367 2.319 20 30 EEEDHM Cc1ccc(C#N)cc1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001581138128 1344592064 /nfs/dbraw/zinc/59/20/64/1344592064.db2.gz RDBDBLAQAXFJSF-UHFFFAOYSA-N -1 3 332.367 2.319 20 30 EEEDHM C#C[C@@H](CCC)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001588327674 1348887261 /nfs/dbraw/zinc/88/72/61/1348887261.db2.gz OLTUZCODEXPCLY-HNNXBMFYSA-N -1 3 341.415 2.334 20 30 EEEDHM C#C[C@@H](CCC)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001588327674 1348887268 /nfs/dbraw/zinc/88/72/68/1348887268.db2.gz OLTUZCODEXPCLY-HNNXBMFYSA-N -1 3 341.415 2.334 20 30 EEEDHM C#CC(C)(C)NC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001588325249 1348887281 /nfs/dbraw/zinc/88/72/81/1348887281.db2.gz HRQZQBOCWYRVKM-UHFFFAOYSA-N -1 3 328.376 2.187 20 30 EEEDHM C#CC(C)(C)NC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001588325249 1348887287 /nfs/dbraw/zinc/88/72/87/1348887287.db2.gz HRQZQBOCWYRVKM-UHFFFAOYSA-N -1 3 328.376 2.187 20 30 EEEDHM C#CC[C@@H]1CCCN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC001588335181 1348891659 /nfs/dbraw/zinc/89/16/59/1348891659.db2.gz BEIARDWASQAIQY-LLVKDONJSA-N -1 3 329.791 2.396 20 30 EEEDHM C#CC[C@@H]1CCCN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC001588335181 1348891663 /nfs/dbraw/zinc/89/16/63/1348891663.db2.gz BEIARDWASQAIQY-LLVKDONJSA-N -1 3 329.791 2.396 20 30 EEEDHM C#CCN(C)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1C/C=C\CC ZINC001588349298 1348893673 /nfs/dbraw/zinc/89/36/73/1348893673.db2.gz LURYAGBQEASHTN-SREVYHEPSA-N -1 3 348.414 2.161 20 30 EEEDHM C#CCN(C)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1C/C=C\CC ZINC001588349298 1348893684 /nfs/dbraw/zinc/89/36/84/1348893684.db2.gz LURYAGBQEASHTN-SREVYHEPSA-N -1 3 348.414 2.161 20 30 EEEDHM C#CCN(C)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1C/C=C/CC ZINC001588349299 1348894077 /nfs/dbraw/zinc/89/40/77/1348894077.db2.gz LURYAGBQEASHTN-VOTSOKGWSA-N -1 3 348.414 2.161 20 30 EEEDHM C#CCN(C)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1C/C=C/CC ZINC001588349299 1348894085 /nfs/dbraw/zinc/89/40/85/1348894085.db2.gz LURYAGBQEASHTN-VOTSOKGWSA-N -1 3 348.414 2.161 20 30 EEEDHM C#CCSCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC001588363120 1348894590 /nfs/dbraw/zinc/89/45/90/1348894590.db2.gz LQUJIMIMQGTTQA-UHFFFAOYSA-N -1 3 343.456 2.218 20 30 EEEDHM C#CCSCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC001588363120 1348894594 /nfs/dbraw/zinc/89/45/94/1348894594.db2.gz LQUJIMIMQGTTQA-UHFFFAOYSA-N -1 3 343.456 2.218 20 30 EEEDHM C#Cc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)c(Cl)c2)nc1 ZINC001588366619 1348896643 /nfs/dbraw/zinc/89/66/43/1348896643.db2.gz XQPAFHANCUYJEL-UHFFFAOYSA-N -1 3 338.758 2.173 20 30 EEEDHM C#Cc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)c(Cl)c2)nc1 ZINC001588366619 1348896648 /nfs/dbraw/zinc/89/66/48/1348896648.db2.gz XQPAFHANCUYJEL-UHFFFAOYSA-N -1 3 338.758 2.173 20 30 EEEDHM C=C(C)C(C)(C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001588402580 1348900934 /nfs/dbraw/zinc/90/09/34/1348900934.db2.gz IOBNUWZIKINVRP-NSHDSACASA-N -1 3 343.387 2.339 20 30 EEEDHM C=C(C)C(C)(C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001588402580 1348900936 /nfs/dbraw/zinc/90/09/36/1348900936.db2.gz IOBNUWZIKINVRP-NSHDSACASA-N -1 3 343.387 2.339 20 30 EEEDHM C=C(C)CCC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001588411731 1348902216 /nfs/dbraw/zinc/90/22/16/1348902216.db2.gz IPCSZKNVBXCXFU-UHFFFAOYSA-N -1 3 341.419 2.021 20 30 EEEDHM C=C(C)CCC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588411731 1348902217 /nfs/dbraw/zinc/90/22/17/1348902217.db2.gz IPCSZKNVBXCXFU-UHFFFAOYSA-N -1 3 341.419 2.021 20 30 EEEDHM C=C(C)CN(Cc1ccc(CO)o1)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588426149 1348904007 /nfs/dbraw/zinc/90/40/07/1348904007.db2.gz OODIOSHAHHPJRI-UHFFFAOYSA-N -1 3 340.387 2.238 20 30 EEEDHM C=C(C)CN(Cc1ccc(CO)o1)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588426149 1348904009 /nfs/dbraw/zinc/90/40/09/1348904009.db2.gz OODIOSHAHHPJRI-UHFFFAOYSA-N -1 3 340.387 2.238 20 30 EEEDHM C=C(Cl)COC(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588448406 1348906472 /nfs/dbraw/zinc/90/64/72/1348906472.db2.gz YAHZLDKVWNQKNN-UHFFFAOYSA-N -1 3 333.657 2.190 20 30 EEEDHM C=CC(C)(C)CC(=O)N(C)CCNc1cccc(F)c1-c1nnn[n-]1 ZINC001588482806 1348908306 /nfs/dbraw/zinc/90/83/06/1348908306.db2.gz ZZCJWSWGJWSFOQ-UHFFFAOYSA-N -1 3 346.410 2.478 20 30 EEEDHM C=CC(C)(C)CC(=O)N(C)CCNc1cccc(F)c1-c1nn[n-]n1 ZINC001588482806 1348908307 /nfs/dbraw/zinc/90/83/07/1348908307.db2.gz ZZCJWSWGJWSFOQ-UHFFFAOYSA-N -1 3 346.410 2.478 20 30 EEEDHM C=CCC(F)(F)C(=O)N1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001588545590 1348914348 /nfs/dbraw/zinc/91/43/48/1348914348.db2.gz JKRYBZCCOWRETF-UHFFFAOYSA-N -1 3 348.357 2.179 20 30 EEEDHM C=CCC(F)(F)C(=O)N1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588545590 1348914353 /nfs/dbraw/zinc/91/43/53/1348914353.db2.gz JKRYBZCCOWRETF-UHFFFAOYSA-N -1 3 348.357 2.179 20 30 EEEDHM C=CCN(CC(F)(F)F)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588627869 1348924202 /nfs/dbraw/zinc/92/42/02/1348924202.db2.gz LNIUYOLUOTYEEX-BQYQJAHWSA-N -1 3 337.305 2.457 20 30 EEEDHM C=CCN(CC(F)(F)F)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588627869 1348924206 /nfs/dbraw/zinc/92/42/06/1348924206.db2.gz LNIUYOLUOTYEEX-BQYQJAHWSA-N -1 3 337.305 2.457 20 30 EEEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)[nH]2)nnc1N1CCC[C@@H]1CC ZINC001588697127 1348929845 /nfs/dbraw/zinc/92/98/45/1348929845.db2.gz SAWGPVIQOQAXLB-NSHDSACASA-N -1 3 339.407 2.018 20 30 EEEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)[nH]2)nnc1N1CCC[C@@H]1CC ZINC001588697127 1348929846 /nfs/dbraw/zinc/92/98/46/1348929846.db2.gz SAWGPVIQOQAXLB-NSHDSACASA-N -1 3 339.407 2.018 20 30 EEEDHM CC(N=Nc1ccc(C(C)(C)C)nn1)c1cc(-c2nnn[n-]2)ccn1 ZINC001588781005 1348935014 /nfs/dbraw/zinc/93/50/14/1348935014.db2.gz WQKSLGLNXGAEDT-UHFFFAOYSA-N -1 3 337.391 2.185 20 30 EEEDHM CC(N=Nc1ccc(C(C)(C)C)nn1)c1cc(-c2nn[n-]n2)ccn1 ZINC001588781005 1348935018 /nfs/dbraw/zinc/93/50/18/1348935018.db2.gz WQKSLGLNXGAEDT-UHFFFAOYSA-N -1 3 337.391 2.185 20 30 EEEDHM C[C@@H](C#N)OCCNc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588933901 1348949460 /nfs/dbraw/zinc/94/94/60/1348949460.db2.gz BFZRSFWFKCSGCE-QMMMGPOBSA-N -1 3 342.281 2.106 20 30 EEEDHM C[C@@H](C#N)OCCNc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588933901 1348949464 /nfs/dbraw/zinc/94/94/64/1348949464.db2.gz BFZRSFWFKCSGCE-QMMMGPOBSA-N -1 3 342.281 2.106 20 30 EEEDHM C[C@@H](CNc1c(C#N)cccc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC001589875863 1349054221 /nfs/dbraw/zinc/05/42/21/1349054221.db2.gz JRQYEOMJWLJMAB-JTQLQIEISA-N -1 3 343.391 2.063 20 30 EEEDHM C[C@@H](CNc1c(C#N)cccc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC001589875863 1349054227 /nfs/dbraw/zinc/05/42/27/1349054227.db2.gz JRQYEOMJWLJMAB-JTQLQIEISA-N -1 3 343.391 2.063 20 30 EEEDHM COc1cc(CNc2c(C#N)cccc2C#N)ccc1-c1nnn[n-]1 ZINC001591536866 1349501335 /nfs/dbraw/zinc/50/13/35/1349501335.db2.gz DSIOKZSMSSYDAU-UHFFFAOYSA-N -1 3 331.339 2.231 20 30 EEEDHM COc1cc(CNc2c(C#N)cccc2C#N)ccc1-c1nn[n-]n1 ZINC001591536866 1349501345 /nfs/dbraw/zinc/50/13/45/1349501345.db2.gz DSIOKZSMSSYDAU-UHFFFAOYSA-N -1 3 331.339 2.231 20 30 EEEDHM Cc1cc(C#N)ccc1COC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001591906341 1349554884 /nfs/dbraw/zinc/55/48/84/1349554884.db2.gz CBSMZVVMZGZXBY-UHFFFAOYSA-N -1 3 348.366 2.202 20 30 EEEDHM Cc1cc(C#N)cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)n1 ZINC001591906419 1349555311 /nfs/dbraw/zinc/55/53/11/1349555311.db2.gz IBCNCPXDKASEFP-VOTSOKGWSA-N -1 3 331.339 2.094 20 30 EEEDHM Cc1cc(C#N)cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)n1 ZINC001591906419 1349555317 /nfs/dbraw/zinc/55/53/17/1349555317.db2.gz IBCNCPXDKASEFP-VOTSOKGWSA-N -1 3 331.339 2.094 20 30 EEEDHM Cc1cc(C#N)cc(C)c1C(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001591905875 1349555988 /nfs/dbraw/zinc/55/59/88/1349555988.db2.gz NALDWSWYGZGDMR-UHFFFAOYSA-N -1 3 338.396 2.347 20 30 EEEDHM Cc1cc(COC(=O)c2cscc2-c2nnn[n-]2)ccc1C#N ZINC001591972042 1349572709 /nfs/dbraw/zinc/57/27/09/1349572709.db2.gz HDOGFYULAKOCAU-UHFFFAOYSA-N -1 3 325.353 2.465 20 30 EEEDHM Cc1cc(COC(=O)c2cscc2-c2nn[n-]n2)ccc1C#N ZINC001591972042 1349572711 /nfs/dbraw/zinc/57/27/11/1349572711.db2.gz HDOGFYULAKOCAU-UHFFFAOYSA-N -1 3 325.353 2.465 20 30 EEEDHM Cc1ccc(C(=O)OCCOc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC001592132022 1349595404 /nfs/dbraw/zinc/59/54/04/1349595404.db2.gz ZPENZVSNXIRLRY-UHFFFAOYSA-N -1 3 349.350 2.283 20 30 EEEDHM Cc1ccc(C(=O)OCCOc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC001592132022 1349595410 /nfs/dbraw/zinc/59/54/10/1349595410.db2.gz ZPENZVSNXIRLRY-UHFFFAOYSA-N -1 3 349.350 2.283 20 30 EEEDHM Cc1ccc(CNC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001592155870 1349596492 /nfs/dbraw/zinc/59/64/92/1349596492.db2.gz KJOVEATXOGIWET-QGZVFWFLSA-N -1 3 346.394 2.174 20 30 EEEDHM Fc1ccc(C#CCn2nnc(-c3ccccc3)c2-c2nnn[n-]2)cc1 ZINC001592646480 1349692181 /nfs/dbraw/zinc/69/21/81/1349692181.db2.gz NKDVGJKMWWEEHR-UHFFFAOYSA-N -1 3 345.341 2.316 20 30 EEEDHM N#Cc1ccc(CN(Cc2ccc(-c3nnn[n-]3)cn2)C2CC2)cc1 ZINC001592692801 1349706988 /nfs/dbraw/zinc/70/69/88/1349706988.db2.gz HBDXXZGVFMLHLI-UHFFFAOYSA-N -1 3 331.383 2.298 20 30 EEEDHM N#Cc1ccc(CN(Cc2ccc(-c3nn[n-]n3)cn2)C2CC2)cc1 ZINC001592692801 1349706991 /nfs/dbraw/zinc/70/69/91/1349706991.db2.gz HBDXXZGVFMLHLI-UHFFFAOYSA-N -1 3 331.383 2.298 20 30 EEEDHM N#Cc1cccc(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC001592701640 1349708878 /nfs/dbraw/zinc/70/88/78/1349708878.db2.gz HOYVZORKHXUEJL-CMDGGOBGSA-N -1 3 330.351 2.068 20 30 EEEDHM N#Cc1cccc(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC001592701640 1349708881 /nfs/dbraw/zinc/70/88/81/1349708881.db2.gz HOYVZORKHXUEJL-CMDGGOBGSA-N -1 3 330.351 2.068 20 30 EEEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCC#Cc1ccccc1 ZINC001592798395 1349714782 /nfs/dbraw/zinc/71/47/82/1349714782.db2.gz PQZGOQDBALVAMS-OUKQBFOZSA-N -1 3 330.347 2.475 20 30 EEEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCC#Cc1ccccc1 ZINC001592798395 1349714784 /nfs/dbraw/zinc/71/47/84/1349714784.db2.gz PQZGOQDBALVAMS-OUKQBFOZSA-N -1 3 330.347 2.475 20 30 EEEDHM O=C(C=Cc1nc2c(s1)CCCC2)c1cc(-c2nnn[n-]2)ccn1 ZINC001592804367 1349715587 /nfs/dbraw/zinc/71/55/87/1349715587.db2.gz XEFFXEMLEJOAGH-WAYWQWQTSA-N -1 3 338.396 2.493 20 30 EEEDHM O=C(C=Cc1nc2c(s1)CCCC2)c1cc(-c2nn[n-]n2)ccn1 ZINC001592804367 1349715596 /nfs/dbraw/zinc/71/55/96/1349715596.db2.gz XEFFXEMLEJOAGH-WAYWQWQTSA-N -1 3 338.396 2.493 20 30 EEEDHM C#CC[C@H](COC)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC001602697315 1350575149 /nfs/dbraw/zinc/57/51/49/1350575149.db2.gz LQLVJVSMPLIGQA-SNVBAGLBSA-N -1 3 325.294 2.336 20 30 EEEDHM C#CC[C@H](COC)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC001602697315 1350575151 /nfs/dbraw/zinc/57/51/51/1350575151.db2.gz LQLVJVSMPLIGQA-SNVBAGLBSA-N -1 3 325.294 2.336 20 30 EEEDHM C#Cc1cccc(N(CC)C(=O)c2cc(C)c(-c3nnn[n-]3)cn2)c1 ZINC001602741586 1350578814 /nfs/dbraw/zinc/57/88/14/1350578814.db2.gz PJSSCIUUPFWEGD-UHFFFAOYSA-N -1 3 332.367 2.218 20 30 EEEDHM C#Cc1cccc(N(CC)C(=O)c2cc(C)c(-c3nn[n-]n3)cn2)c1 ZINC001602741586 1350578817 /nfs/dbraw/zinc/57/88/17/1350578817.db2.gz PJSSCIUUPFWEGD-UHFFFAOYSA-N -1 3 332.367 2.218 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@](C)(CC)OC ZINC001602854104 1350596408 /nfs/dbraw/zinc/59/64/08/1350596408.db2.gz ULYMDOXCYGRNCE-QGZVFWFLSA-N -1 3 329.404 2.196 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@](C)(CC)OC ZINC001602854104 1350596411 /nfs/dbraw/zinc/59/64/11/1350596411.db2.gz ULYMDOXCYGRNCE-QGZVFWFLSA-N -1 3 329.404 2.196 20 30 EEEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccnn1C1CCC1 ZINC001602906653 1350604303 /nfs/dbraw/zinc/60/43/03/1350604303.db2.gz SJEQHFAXAUGULI-UHFFFAOYSA-N -1 3 336.403 2.302 20 30 EEEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccnn1C1CCC1 ZINC001602906653 1350604308 /nfs/dbraw/zinc/60/43/08/1350604308.db2.gz SJEQHFAXAUGULI-UHFFFAOYSA-N -1 3 336.403 2.302 20 30 EEEDHM CC(C)(C(=O)[O-])[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC001603247761 1350670793 /nfs/dbraw/zinc/67/07/93/1350670793.db2.gz PSFAZJUEBVNJQD-HUUCEWRRSA-N -1 3 331.416 2.366 20 30 EEEDHM C[C@H](NC(=O)CC#Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC001603612955 1350727987 /nfs/dbraw/zinc/72/79/87/1350727987.db2.gz HODXEVRANNENRZ-AWEZNQCLSA-N -1 3 331.379 2.486 20 30 EEEDHM C[C@H](NC(=O)CC#Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC001603612955 1350727993 /nfs/dbraw/zinc/72/79/93/1350727993.db2.gz HODXEVRANNENRZ-AWEZNQCLSA-N -1 3 331.379 2.486 20 30 EEEDHM CC[C@H](C)[C@@H](C)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603999324 1350825980 /nfs/dbraw/zinc/82/59/80/1350825980.db2.gz WHLYKAIMKVBSOT-ZOWXZIJZSA-N -1 3 326.404 2.100 20 30 EEEDHM CCc1ccc2ccccc2c1Cn1c(N)nc(C#N)c1-c1nnn[n-]1 ZINC001604529149 1350955466 /nfs/dbraw/zinc/95/54/66/1350955466.db2.gz VOCSNCFTPWZEKD-UHFFFAOYSA-N -1 3 344.382 2.281 20 30 EEEDHM CCc1ccc2ccccc2c1Cn1c(N)nc(C#N)c1-c1nn[n-]n1 ZINC001604529149 1350955468 /nfs/dbraw/zinc/95/54/68/1350955468.db2.gz VOCSNCFTPWZEKD-UHFFFAOYSA-N -1 3 344.382 2.281 20 30 EEEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC#Cc1ccccc1 ZINC001604813163 1351013884 /nfs/dbraw/zinc/01/38/84/1351013884.db2.gz DUNKKWZMPTULGG-UHFFFAOYSA-N -1 3 346.394 2.060 20 30 EEEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC#Cc1ccccc1 ZINC001604813163 1351013887 /nfs/dbraw/zinc/01/38/87/1351013887.db2.gz DUNKKWZMPTULGG-UHFFFAOYSA-N -1 3 346.394 2.060 20 30 EEEDHM COc1cc(NC(=O)C2(C#N)CCCC2)c(F)cc1-c1nnn[n-]1 ZINC001605227091 1351109493 /nfs/dbraw/zinc/10/94/93/1351109493.db2.gz YNLYRDRZIQVLOF-UHFFFAOYSA-N -1 3 330.323 2.037 20 30 EEEDHM COc1cc(NC(=O)C2(C#N)CCCC2)c(F)cc1-c1nn[n-]n1 ZINC001605227091 1351109495 /nfs/dbraw/zinc/10/94/95/1351109495.db2.gz YNLYRDRZIQVLOF-UHFFFAOYSA-N -1 3 330.323 2.037 20 30 EEEDHM Cc1ccc(C(=O)NCc2ccc(C#N)c(F)c2)cc1-c1nnn[n-]1 ZINC001605820629 1351228527 /nfs/dbraw/zinc/22/85/27/1351228527.db2.gz TXXVECTVRYPLPY-UHFFFAOYSA-N -1 3 336.330 2.116 20 30 EEEDHM Cc1ccc(C(=O)NCc2ccc(C#N)c(F)c2)cc1-c1nn[n-]n1 ZINC001605820629 1351228530 /nfs/dbraw/zinc/22/85/30/1351228530.db2.gz TXXVECTVRYPLPY-UHFFFAOYSA-N -1 3 336.330 2.116 20 30 EEEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cnnn1-c1ccccc1 ZINC001606481590 1351308628 /nfs/dbraw/zinc/30/86/28/1351308628.db2.gz FLSVCPOUTFSCFT-KTKRTIGZSA-N -1 3 343.350 2.344 20 30 EEEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cnnn1-c1ccccc1 ZINC001606481590 1351308631 /nfs/dbraw/zinc/30/86/31/1351308631.db2.gz FLSVCPOUTFSCFT-KTKRTIGZSA-N -1 3 343.350 2.344 20 30 EEEDHM COc1ccc(C#N)cc1CSc1nc2c(cnn2C)c(=O)[n-]1 ZINC001652099751 1354077699 /nfs/dbraw/zinc/07/76/99/1354077699.db2.gz ACLSRMFAEBPJSO-UHFFFAOYSA-N -1 3 327.369 2.241 20 30 EEEDHM CC(=O)/C=C(/C)[N-]S(=O)(=O)c1cc(F)cc(Br)c1 ZINC001193804259 1368471514 /nfs/dbraw/zinc/47/15/14/1368471514.db2.gz ANRHDURTBZEEQD-CLTKARDFSA-N -1 3 336.182 2.359 20 30 EEEDHM CC1(C)[C@@]2(C)CC[C@]1(C([O-])=C(C#N)C(=O)Nc1ccccc1)OC2=O ZINC000860468008 1369469055 /nfs/dbraw/zinc/46/90/55/1369469055.db2.gz HNJHGEVXPDNKIO-ZNZDAUKMSA-N -1 3 340.379 2.456 20 30 EEEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)CCCCOC ZINC001122482088 1372017061 /nfs/dbraw/zinc/01/70/61/1372017061.db2.gz JOIMDLOYUYFNSH-UHFFFAOYSA-N -1 3 346.435 2.188 20 30 EEEDHM COc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)ccc1C#N ZINC001579913374 1403796141 /nfs/dbraw/zinc/79/61/41/1403796141.db2.gz SSVZQUNEJCKXGM-UHFFFAOYSA-N -1 3 334.339 2.308 20 30 EEEDHM COc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)ccc1C#N ZINC001579913374 1403796146 /nfs/dbraw/zinc/79/61/46/1403796146.db2.gz SSVZQUNEJCKXGM-UHFFFAOYSA-N -1 3 334.339 2.308 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001591840085 1403956682 /nfs/dbraw/zinc/95/66/82/1403956682.db2.gz TXDMKUTZRCMYBV-AGGWBTHJSA-N -1 3 328.420 2.363 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001591840085 1403956688 /nfs/dbraw/zinc/95/66/88/1403956688.db2.gz TXDMKUTZRCMYBV-AGGWBTHJSA-N -1 3 328.420 2.363 20 30 EEEDHM N#CC(=C([O-])c1ccc(-c2nn[nH]n2)cc1)c1cnc2ccccc2n1 ZINC001592665520 1404707508 /nfs/dbraw/zinc/70/75/08/1404707508.db2.gz OLGNGBAEKNIOAF-CYBMUJFWSA-N -1 3 341.334 2.300 20 30 EEEDHM N#CC1(CC(=O)Nc2n[nH]c(C3CC3)c2-c2nnn[n-]2)CCCCC1 ZINC001592666169 1404707735 /nfs/dbraw/zinc/70/77/35/1404707735.db2.gz CRADCQYMSZJILL-UHFFFAOYSA-N -1 3 340.391 2.270 20 30 EEEDHM N#CC1(CC(=O)Nc2ccc(Br)c(-c3nnn[n-]3)c2)CC1 ZINC001592666101 1404708654 /nfs/dbraw/zinc/70/86/54/1404708654.db2.gz AIBRWOXSAQKJAP-UHFFFAOYSA-N -1 3 347.176 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CCOC(=O)c1cc(C#N)c(NC(=O)C#Cc2ccccn2)c(C)c1[O-] ZINC001177802337 799129279 /nfs/dbraw/zinc/12/92/79/799129279.db2.gz FQZAFZJAKDSOPC-UHFFFAOYSA-N -1 3 349.346 2.134 20 30 EEEDHM N#Cc1cc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)ccc1[O-] ZINC001178993313 799735786 /nfs/dbraw/zinc/73/57/86/799735786.db2.gz HRFUVQXOYCZTAG-SFHVURJKSA-N -1 3 337.379 2.103 20 30 EEEDHM C=CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001066266887 800624590 /nfs/dbraw/zinc/62/45/90/800624590.db2.gz APVYATYDGITOCW-LSDHHAIUSA-N -1 3 346.427 2.094 20 30 EEEDHM CCc1nc(C#N)cc(N[C@H](C)[C@H](C)NC(=O)c2ccccc2[O-])n1 ZINC001112909827 807592657 /nfs/dbraw/zinc/59/26/57/807592657.db2.gz ALGXIAVMSXYNAS-NEPJUHHUSA-N -1 3 339.399 2.235 20 30 EEEDHM CC#CCC[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000788657245 807632144 /nfs/dbraw/zinc/63/21/44/807632144.db2.gz FVRIXVDTOPVBGC-UHFFFAOYSA-N -1 3 335.834 2.188 20 30 EEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCc1nccn1C ZINC000789792450 808196401 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CC(C)OC(=O)CC[C@@H](C)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609110682 1351847123 /nfs/dbraw/zinc/84/71/23/1351847123.db2.gz UCFGJXYEFIHLBR-LLVKDONJSA-N -1 3 328.376 2.271 20 30 EEEDHM CCOC(=O)C(C)(C)ON=C(C)c1ccc(-c2nnn[n-]2)cc1F ZINC001609231198 1351903050 /nfs/dbraw/zinc/90/30/50/1351903050.db2.gz KITYYQLCTKWSTD-UHFFFAOYSA-N -1 3 335.339 2.088 20 30 EEEDHM CCOC(=O)C(C)(C)ON=C(C)c1ccc(-c2nn[n-]n2)cc1F ZINC001609231198 1351903054 /nfs/dbraw/zinc/90/30/54/1351903054.db2.gz KITYYQLCTKWSTD-UHFFFAOYSA-N -1 3 335.339 2.088 20 30 EEEDHM CN(Cc1ccc2c(c1)OCO2)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001609279370 1351919985 /nfs/dbraw/zinc/91/99/85/1351919985.db2.gz HLAMZTFQUVCXPL-UHFFFAOYSA-N -1 3 334.339 2.103 20 30 EEEDHM CN(Cc1ccc2c(c1)OCO2)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001609279370 1351919987 /nfs/dbraw/zinc/91/99/87/1351919987.db2.gz HLAMZTFQUVCXPL-UHFFFAOYSA-N -1 3 334.339 2.103 20 30 EEEDHM COc1cc(C#N)ccc1OCc1cc(-c2nnn[n-]2)ccc1F ZINC001609339637 1351937697 /nfs/dbraw/zinc/93/76/97/1351937697.db2.gz 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N#Cc1cc(NC(=O)c2cncc(Cl)c2)ccc1-c1nn[n-]n1 ZINC001581870797 1344683321 /nfs/dbraw/zinc/68/33/21/1344683321.db2.gz STWJDMHQKDIPRP-UHFFFAOYSA-N -1 3 325.719 2.039 20 30 EEEDHM C#CC1CCN(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2C)CC1 ZINC001588330756 1348889302 /nfs/dbraw/zinc/88/93/02/1348889302.db2.gz JJLTVWBZZYUFSC-UHFFFAOYSA-N -1 3 328.351 2.191 20 30 EEEDHM C#CC1CCN(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2C)CC1 ZINC001588330756 1348889303 /nfs/dbraw/zinc/88/93/03/1348889303.db2.gz JJLTVWBZZYUFSC-UHFFFAOYSA-N -1 3 328.351 2.191 20 30 EEEDHM C#CC[C@H]1CCCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC001588335346 1348891017 /nfs/dbraw/zinc/89/10/17/1348891017.db2.gz JQNMCRWSDFNBNQ-JTQLQIEISA-N -1 3 331.326 2.020 20 30 EEEDHM C#CC[C@H]1CCCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001588335346 1348891021 /nfs/dbraw/zinc/89/10/21/1348891021.db2.gz JQNMCRWSDFNBNQ-JTQLQIEISA-N -1 3 331.326 2.020 20 30 EEEDHM C#CC[C@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001588335391 1348891366 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C#Cc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC001588374679 1348897850 /nfs/dbraw/zinc/89/78/50/1348897850.db2.gz IQJKDINLVREHIA-UHFFFAOYSA-N -1 3 336.330 2.309 20 30 EEEDHM C#Cc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC001588374679 1348897855 /nfs/dbraw/zinc/89/78/55/1348897855.db2.gz IQJKDINLVREHIA-UHFFFAOYSA-N -1 3 336.330 2.309 20 30 EEEDHM C=C(C)C(C)(C)C(=O)NCC[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001588397131 1348900035 /nfs/dbraw/zinc/90/00/35/1348900035.db2.gz WYICKMGMANXIKP-LBPRGKRZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C(C)C(C)(C)C(=O)NCC[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001588397131 1348900039 /nfs/dbraw/zinc/90/00/39/1348900039.db2.gz WYICKMGMANXIKP-LBPRGKRZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001588401705 1348901369 /nfs/dbraw/zinc/90/13/69/1348901369.db2.gz XCJFKTGRQPSWIV-WQGACYEGSA-N -1 3 329.404 2.204 20 30 EEEDHM C=C(C)C[C@@H](CO)Nc1cc(Br)ccc1-c1nnn[n-]1 ZINC001588406356 1348901821 /nfs/dbraw/zinc/90/18/21/1348901821.db2.gz UJQKZSTZNKLGOA-JTQLQIEISA-N -1 3 338.209 2.368 20 30 EEEDHM C=C(C)C[C@@H](CO)Nc1cc(Br)ccc1-c1nn[n-]n1 ZINC001588406356 1348901825 /nfs/dbraw/zinc/90/18/25/1348901825.db2.gz UJQKZSTZNKLGOA-JTQLQIEISA-N -1 3 338.209 2.368 20 30 EEEDHM C=C(C)CCC(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588419623 1348904371 /nfs/dbraw/zinc/90/43/71/1348904371.db2.gz QNZFPOQUXCLJCZ-HAQNSBGRSA-N -1 3 344.394 2.421 20 30 EEEDHM C=C(C)CCC(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588419623 1348904374 /nfs/dbraw/zinc/90/43/74/1348904374.db2.gz QNZFPOQUXCLJCZ-HAQNSBGRSA-N -1 3 344.394 2.421 20 30 EEEDHM C=CCCC(=O)N[C@H](C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588570981 1348918846 /nfs/dbraw/zinc/91/88/46/1348918846.db2.gz FYCMZNGBZNEETF-VXGBXAGGSA-N -1 3 343.435 2.232 20 30 EEEDHM C=CCCC(=O)N[C@H](C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588570981 1348918848 /nfs/dbraw/zinc/91/88/48/1348918848.db2.gz FYCMZNGBZNEETF-VXGBXAGGSA-N -1 3 343.435 2.232 20 30 EEEDHM C=CCCCC(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588582807 1348920980 /nfs/dbraw/zinc/92/09/80/1348920980.db2.gz OSKGQRDHEMGNLT-LBPRGKRZSA-N -1 3 343.435 2.185 20 30 EEEDHM C=CCCCC(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588582807 1348920982 /nfs/dbraw/zinc/92/09/82/1348920982.db2.gz OSKGQRDHEMGNLT-LBPRGKRZSA-N -1 3 343.435 2.185 20 30 EEEDHM C=CCCCC(=O)N1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C[C@H]1C ZINC001588582704 1348921285 /nfs/dbraw/zinc/92/12/85/1348921285.db2.gz NUAOJJDWONYSAL-OLZOCXBDSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCCC(=O)N1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C[C@H]1C ZINC001588582704 1348921289 /nfs/dbraw/zinc/92/12/89/1348921289.db2.gz NUAOJJDWONYSAL-OLZOCXBDSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCC[C@H](C)NS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588593328 1348921984 /nfs/dbraw/zinc/92/19/84/1348921984.db2.gz ACNXOBLTJAGXCF-JTQLQIEISA-N -1 3 339.396 2.029 20 30 EEEDHM C=CCCC[C@H](C)NS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588593328 1348921986 /nfs/dbraw/zinc/92/19/86/1348921986.db2.gz ACNXOBLTJAGXCF-JTQLQIEISA-N -1 3 339.396 2.029 20 30 EEEDHM C=CCN(CC(F)(F)F)C(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588627664 1348924354 /nfs/dbraw/zinc/92/43/54/1348924354.db2.gz FFFHZMPRMSDNKC-UHFFFAOYSA-N -1 3 325.294 2.366 20 30 EEEDHM C=CCN(CC(F)(F)F)C(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588627664 1348924355 /nfs/dbraw/zinc/92/43/55/1348924355.db2.gz FFFHZMPRMSDNKC-UHFFFAOYSA-N -1 3 325.294 2.366 20 30 EEEDHM C=CCN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)[C@H](C)COC ZINC001588625742 1348924413 /nfs/dbraw/zinc/92/44/13/1348924413.db2.gz OWLPMSUOYCYOAI-UHOFOFEASA-N -1 3 341.415 2.020 20 30 EEEDHM C=CCN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)[C@H](C)COC ZINC001588625742 1348924417 /nfs/dbraw/zinc/92/44/17/1348924417.db2.gz OWLPMSUOYCYOAI-UHOFOFEASA-N -1 3 341.415 2.020 20 30 EEEDHM C=CCO[C@@H]1CCN(c2nc(C(C)(C)C)ccc2-c2nnn[n-]2)C1 ZINC001588665700 1348927867 /nfs/dbraw/zinc/92/78/67/1348927867.db2.gz QCLBEYIKBNBJHZ-GFCCVEGCSA-N -1 3 328.420 2.341 20 30 EEEDHM C=CCO[C@@H]1CCN(c2nc(C(C)(C)C)ccc2-c2nn[n-]n2)C1 ZINC001588665700 1348927871 /nfs/dbraw/zinc/92/78/71/1348927871.db2.gz QCLBEYIKBNBJHZ-GFCCVEGCSA-N -1 3 328.420 2.341 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588718329 1348930648 /nfs/dbraw/zinc/93/06/48/1348930648.db2.gz IFYQRHRDEFXTQH-WQVCFCJDSA-N -1 3 341.415 2.367 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588718329 1348930651 /nfs/dbraw/zinc/93/06/51/1348930651.db2.gz IFYQRHRDEFXTQH-WQVCFCJDSA-N -1 3 341.415 2.367 20 30 EEEDHM CC(=O)CC(C)(C)CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001588786345 1348935977 /nfs/dbraw/zinc/93/59/77/1348935977.db2.gz NQRRGSXBYINFHI-UHFFFAOYSA-N -1 3 326.360 2.072 20 30 EEEDHM CC(=O)CC(C)(C)CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001588786345 1348935979 /nfs/dbraw/zinc/93/59/79/1348935979.db2.gz NQRRGSXBYINFHI-UHFFFAOYSA-N -1 3 326.360 2.072 20 30 EEEDHM CC(C)C[C@H](C)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589550567 1349003523 /nfs/dbraw/zinc/00/35/23/1349003523.db2.gz LOKRCKGTGXTZTM-WFASDCNBSA-N -1 3 326.404 2.100 20 30 EEEDHM C[C@H](Nc1ccc(CC#N)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001589980607 1349090369 /nfs/dbraw/zinc/09/03/69/1349090369.db2.gz DNFXWMBDRPDHON-LBPRGKRZSA-N -1 3 347.382 2.372 20 30 EEEDHM C[C@H](Nc1ccc(CC#N)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001589980607 1349090377 /nfs/dbraw/zinc/09/03/77/1349090377.db2.gz DNFXWMBDRPDHON-LBPRGKRZSA-N -1 3 347.382 2.372 20 30 EEEDHM CCC(N=Nc1nc(C)cc(OC)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590359101 1349283690 /nfs/dbraw/zinc/28/36/90/1349283690.db2.gz NGSCKWHLCYTPOJ-UHFFFAOYSA-N -1 3 338.375 2.200 20 30 EEEDHM CCC(N=Nc1nc(C)cc(OC)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590359101 1349283694 /nfs/dbraw/zinc/28/36/94/1349283694.db2.gz NGSCKWHLCYTPOJ-UHFFFAOYSA-N -1 3 338.375 2.200 20 30 EEEDHM CN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC001590977711 1349426870 /nfs/dbraw/zinc/42/68/70/1349426870.db2.gz BXGRTKYYPUAODZ-KTKRTIGZSA-N -1 3 330.351 2.415 20 30 EEEDHM CN(C(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC001590977711 1349426877 /nfs/dbraw/zinc/42/68/77/1349426877.db2.gz BXGRTKYYPUAODZ-KTKRTIGZSA-N -1 3 330.351 2.415 20 30 EEEDHM COc1cc(C=NOCc2ccc(-c3nnn[n-]3)cc2)cc(OC)c1 ZINC001591522203 1349496129 /nfs/dbraw/zinc/49/61/29/1349496129.db2.gz CUHBFWHBYSQCFD-UHFFFAOYSA-N -1 3 339.355 2.435 20 30 EEEDHM COc1cc(C=NOCc2ccc(-c3nn[n-]n3)cc2)cc(OC)c1 ZINC001591522203 1349496137 /nfs/dbraw/zinc/49/61/37/1349496137.db2.gz CUHBFWHBYSQCFD-UHFFFAOYSA-N -1 3 339.355 2.435 20 30 EEEDHM Cc1c(Cl)cnc(NCC#C[C@@H]2CCCCO2)c1-c1nnn[n-]1 ZINC001591822075 1349540101 /nfs/dbraw/zinc/54/01/01/1349540101.db2.gz SKXIOVQZNOGUBG-NSHDSACASA-N -1 3 332.795 2.208 20 30 EEEDHM Cc1c(Cl)cnc(NCC#C[C@@H]2CCCCO2)c1-c1nn[n-]n1 ZINC001591822075 1349540103 /nfs/dbraw/zinc/54/01/03/1349540103.db2.gz SKXIOVQZNOGUBG-NSHDSACASA-N -1 3 332.795 2.208 20 30 EEEDHM Cc1sc(NC(=O)c2cccc(C#N)n2)c(-c2nnn[n-]2)c1C ZINC001592520628 1349645297 /nfs/dbraw/zinc/64/52/97/1349645297.db2.gz HQPHUXZTIMQADS-UHFFFAOYSA-N -1 3 325.357 2.064 20 30 EEEDHM Cc1sc(NC(=O)c2cccc(C#N)n2)c(-c2nn[n-]n2)c1C ZINC001592520628 1349645298 /nfs/dbraw/zinc/64/52/98/1349645298.db2.gz HQPHUXZTIMQADS-UHFFFAOYSA-N -1 3 325.357 2.064 20 30 EEEDHM FC(F)(F)C(F)(F)CNN=Cc1ccc(-c2nnn[n-]2)s1 ZINC001592614306 1349671134 /nfs/dbraw/zinc/67/11/34/1349671134.db2.gz VDBJGVJWCSJNRX-UHFFFAOYSA-N -1 3 326.254 2.049 20 30 EEEDHM N#Cc1cc(-c2nnn[n-]2)c(SCC23CCC(CC2)C3)nc1N ZINC001592687177 1349705718 /nfs/dbraw/zinc/70/57/18/1349705718.db2.gz OLDUAQSTAUBRPP-UHFFFAOYSA-N -1 3 327.417 2.388 20 30 EEEDHM N#Cc1cc(-c2nn[n-]n2)c(SCC23CCC(CC2)C3)nc1N ZINC001592687177 1349705725 /nfs/dbraw/zinc/70/57/25/1349705725.db2.gz OLDUAQSTAUBRPP-UHFFFAOYSA-N -1 3 327.417 2.388 20 30 EEEDHM N#Cc1ccc(OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c(F)c1 ZINC001592695658 1349707468 /nfs/dbraw/zinc/70/74/68/1349707468.db2.gz DEDFCLCUTGTOQE-UHFFFAOYSA-N -1 3 340.274 2.365 20 30 EEEDHM N#Cc1ccc(OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c(F)c1 ZINC001592695658 1349707474 /nfs/dbraw/zinc/70/74/74/1349707474.db2.gz DEDFCLCUTGTOQE-UHFFFAOYSA-N -1 3 340.274 2.365 20 30 EEEDHM N#Cc1ccc(NCCc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC001592697024 1349707512 /nfs/dbraw/zinc/70/75/12/1349707512.db2.gz JWXGEIMRMHUBAU-UHFFFAOYSA-N -1 3 335.327 2.301 20 30 EEEDHM N#Cc1ccc(NCCc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC001592697024 1349707518 /nfs/dbraw/zinc/70/75/18/1349707518.db2.gz JWXGEIMRMHUBAU-UHFFFAOYSA-N -1 3 335.327 2.301 20 30 EEEDHM O=C1c2cc([N+](=O)[O-])ccc2OCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC001593379764 1349794882 /nfs/dbraw/zinc/79/48/82/1349794882.db2.gz JMTQRQSBPPTKKP-GHXNOFRVSA-N -1 3 349.306 2.434 20 30 EEEDHM O=C1c2cc([N+](=O)[O-])ccc2OCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC001593379764 1349794889 /nfs/dbraw/zinc/79/48/89/1349794889.db2.gz JMTQRQSBPPTKKP-GHXNOFRVSA-N -1 3 349.306 2.434 20 30 EEEDHM O=c1[nH]ccc2cc(NN=Cc3ccc(-c4nnn[n-]4)cc3F)ccc21 ZINC001593490004 1349816881 /nfs/dbraw/zinc/81/68/81/1349816881.db2.gz SESHGOPDMTZQLS-UHFFFAOYSA-N -1 3 349.329 2.293 20 30 EEEDHM O=c1[nH]ccc2cc(NN=Cc3ccc(-c4nn[n-]n4)cc3F)ccc21 ZINC001593490004 1349816886 /nfs/dbraw/zinc/81/68/86/1349816886.db2.gz SESHGOPDMTZQLS-UHFFFAOYSA-N -1 3 349.329 2.293 20 30 EEEDHM C#C[C@H](NC(=O)c1ccc(Br)cc1-c1nnn[n-]1)C(C)C ZINC001602689437 1350573164 /nfs/dbraw/zinc/57/31/64/1350573164.db2.gz RENIVVTYDLKTFH-LBPRGKRZSA-N -1 3 348.204 2.017 20 30 EEEDHM C#C[C@H](NC(=O)c1ccc(Br)cc1-c1nn[n-]n1)C(C)C ZINC001602689437 1350573167 /nfs/dbraw/zinc/57/31/67/1350573167.db2.gz RENIVVTYDLKTFH-LBPRGKRZSA-N -1 3 348.204 2.017 20 30 EEEDHM C#C[C@@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OCC)C1 ZINC001602697235 1350574763 /nfs/dbraw/zinc/57/47/63/1350574763.db2.gz SZALBOHFOQHKGY-GFCCVEGCSA-N -1 3 340.387 2.143 20 30 EEEDHM C#C[C@@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OCC)C1 ZINC001602697235 1350574765 /nfs/dbraw/zinc/57/47/65/1350574765.db2.gz SZALBOHFOQHKGY-GFCCVEGCSA-N -1 3 340.387 2.143 20 30 EEEDHM C=C(C)CCC(=O)N(C)C[C@@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001602756647 1350582938 /nfs/dbraw/zinc/58/29/38/1350582938.db2.gz UIOYYLMNQNAFON-SNVBAGLBSA-N -1 3 349.464 2.247 20 30 EEEDHM C=C[C@H]1CCCCN1CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001602803047 1350588196 /nfs/dbraw/zinc/58/81/96/1350588196.db2.gz GJEYHVFRWVPLKP-LBPRGKRZSA-N -1 3 346.822 2.499 20 30 EEEDHM C=C[C@H]1CCCCN1CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001602803047 1350588202 /nfs/dbraw/zinc/58/82/02/1350588202.db2.gz GJEYHVFRWVPLKP-LBPRGKRZSA-N -1 3 346.822 2.499 20 30 EEEDHM C=CCCC(=O)NC[C@@H](Nc1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001602826410 1350591856 /nfs/dbraw/zinc/59/18/56/1350591856.db2.gz GLCOFMUBXVUAES-CQSZACIVSA-N -1 3 343.435 2.089 20 30 EEEDHM C=CCCC(=O)NC[C@@H](Nc1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001602826410 1350591859 /nfs/dbraw/zinc/59/18/59/1350591859.db2.gz GLCOFMUBXVUAES-CQSZACIVSA-N -1 3 343.435 2.089 20 30 EEEDHM C=CCn1cnnc1Sc1nc(C)c(-c2nnn[n-]2)cc1Cl ZINC001602884074 1350600305 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EEEDHM CN(C(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)C1CC(C)(C)C1 ZINC001604629315 1350973048 /nfs/dbraw/zinc/97/30/48/1350973048.db2.gz MFUOZNSNFYEUJP-AWEZNQCLSA-N -1 3 338.415 2.196 20 30 EEEDHM CN(C(=O)c1ccc(C#N)c(Cl)n1)c1cccc(-c2nnn[n-]2)c1 ZINC001604658732 1350979686 /nfs/dbraw/zinc/97/96/86/1350979686.db2.gz ODCAEGMRJGUHOA-UHFFFAOYSA-N -1 3 339.746 2.063 20 30 EEEDHM CN(C(=O)c1ccc(C#N)c(Cl)n1)c1cccc(-c2nn[n-]n2)c1 ZINC001604658732 1350979689 /nfs/dbraw/zinc/97/96/89/1350979689.db2.gz ODCAEGMRJGUHOA-UHFFFAOYSA-N -1 3 339.746 2.063 20 30 EEEDHM CO[C@H]1CCC[C@@H](CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1 ZINC001605030512 1351060947 /nfs/dbraw/zinc/06/09/47/1351060947.db2.gz VHZZCYMUGZQCTR-RISCZKNCSA-N -1 3 340.387 2.272 20 30 EEEDHM CO[C@H]1CCC[C@@H](CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1 ZINC001605030512 1351060950 /nfs/dbraw/zinc/06/09/50/1351060950.db2.gz VHZZCYMUGZQCTR-RISCZKNCSA-N -1 3 340.387 2.272 20 30 EEEDHM COc1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc(OC)c1O ZINC001605205418 1351102644 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/nfs/dbraw/zinc/82/65/49/1351826549.db2.gz VREFXRPHZIGBSY-UHFFFAOYSA-N -1 3 336.399 2.465 20 30 EEEDHM CC(C)c1ocnc1CSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC001609107687 1351846313 /nfs/dbraw/zinc/84/63/13/1351846313.db2.gz YDVWMFYVMXSJPY-UHFFFAOYSA-N -1 3 342.388 2.119 20 30 EEEDHM CC(C)c1ocnc1CSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC001609107687 1351846314 /nfs/dbraw/zinc/84/63/14/1351846314.db2.gz YDVWMFYVMXSJPY-UHFFFAOYSA-N -1 3 342.388 2.119 20 30 EEEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H]1CCC[C@H](C#N)C1 ZINC001609136738 1351856629 /nfs/dbraw/zinc/85/66/29/1351856629.db2.gz RXUSGVYBNMYJPB-AVGNSLFASA-N -1 3 341.371 2.260 20 30 EEEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H]1CCC[C@H](C#N)C1 ZINC001609136738 1351856632 /nfs/dbraw/zinc/85/66/32/1351856632.db2.gz RXUSGVYBNMYJPB-AVGNSLFASA-N -1 3 341.371 2.260 20 30 EEEDHM COc1ccc(CN=Nc2ccn(C)n2)c(Br)c1[O-] ZINC001326241878 1334050743 /nfs/dbraw/zinc/05/07/43/1334050743.db2.gz MOFSQVLMSVACHW-UHFFFAOYSA-N -1 3 325.166 2.343 20 30 EEEDHM 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C[C@H](OC(=O)CC1(C#N)CCOCC1)c1cccc(-c2nnn[n-]2)c1 ZINC001580441049 1344520797 /nfs/dbraw/zinc/52/07/97/1344520797.db2.gz ATRNPEJULFDEBD-LBPRGKRZSA-N -1 3 341.371 2.181 20 30 EEEDHM C[C@H](OC(=O)CC1(C#N)CCOCC1)c1cccc(-c2nn[n-]n2)c1 ZINC001580441049 1344520798 /nfs/dbraw/zinc/52/07/98/1344520798.db2.gz ATRNPEJULFDEBD-LBPRGKRZSA-N -1 3 341.371 2.181 20 30 EEEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)NCc1ccc(OCC#N)cc1 ZINC001581134449 1344591205 /nfs/dbraw/zinc/59/12/05/1344591205.db2.gz WDPKSDVYDCFOSD-UHFFFAOYSA-N -1 3 348.366 2.008 20 30 EEEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)NCc1ccc(OCC#N)cc1 ZINC001581134449 1344591210 /nfs/dbraw/zinc/59/12/10/1344591210.db2.gz WDPKSDVYDCFOSD-UHFFFAOYSA-N -1 3 348.366 2.008 20 30 EEEDHM N#CCc1ccsc1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC001581859689 1344680896 /nfs/dbraw/zinc/68/08/96/1344680896.db2.gz QBNWMMVXATXBBP-UHFFFAOYSA-N -1 3 343.343 2.490 20 30 EEEDHM N#CCc1ccsc1C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC001581859689 1344680901 /nfs/dbraw/zinc/68/09/01/1344680901.db2.gz QBNWMMVXATXBBP-UHFFFAOYSA-N -1 3 343.343 2.490 20 30 EEEDHM N#Cc1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC001581875742 1344683687 /nfs/dbraw/zinc/68/36/87/1344683687.db2.gz NAWBQYCWAGOHNI-UHFFFAOYSA-N -1 3 325.357 2.122 20 30 EEEDHM C#CCCCCC(=O)N1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001588341755 1348892223 /nfs/dbraw/zinc/89/22/23/1348892223.db2.gz OUJVALLTDPVTNY-UHFFFAOYSA-N -1 3 338.415 2.161 20 30 EEEDHM C#CCCCCC(=O)N1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588341755 1348892228 /nfs/dbraw/zinc/89/22/28/1348892228.db2.gz OUJVALLTDPVTNY-UHFFFAOYSA-N -1 3 338.415 2.161 20 30 EEEDHM C#CCCCCCC(=O)OCC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588346118 1348892402 /nfs/dbraw/zinc/89/24/02/1348892402.db2.gz XVHCXOFVBJLNHH-UHFFFAOYSA-N -1 3 340.383 2.105 20 30 EEEDHM C#CCCCCCC(=O)OCC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588346118 1348892409 /nfs/dbraw/zinc/89/24/09/1348892409.db2.gz XVHCXOFVBJLNHH-UHFFFAOYSA-N -1 3 340.383 2.105 20 30 EEEDHM C#CCCN(CC(F)(F)F)C(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001588346694 1348894036 /nfs/dbraw/zinc/89/40/36/1348894036.db2.gz TZJWMSYJGNOVBS-UHFFFAOYSA-N -1 3 337.305 2.203 20 30 EEEDHM C#CCCN(CC(F)(F)F)C(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001588346694 1348894038 /nfs/dbraw/zinc/89/40/38/1348894038.db2.gz TZJWMSYJGNOVBS-UHFFFAOYSA-N -1 3 337.305 2.203 20 30 EEEDHM C#Cc1ccc(C(=O)N(c2cccc(-c3nnn[n-]3)c2)C2CCC2)cn1 ZINC001588366656 1348896623 /nfs/dbraw/zinc/89/66/23/1348896623.db2.gz YLBRTQRMTYTYHN-UHFFFAOYSA-N -1 3 344.378 2.442 20 30 EEEDHM C#Cc1ccc(C(=O)N(c2cccc(-c3nn[n-]n3)c2)C2CCC2)cn1 ZINC001588366656 1348896629 /nfs/dbraw/zinc/89/66/29/1348896629.db2.gz YLBRTQRMTYTYHN-UHFFFAOYSA-N -1 3 344.378 2.442 20 30 EEEDHM C=C(C)CCC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588412557 1348901851 /nfs/dbraw/zinc/90/18/51/1348901851.db2.gz XIMCXCCJTMDNMY-OAHLLOKOSA-N -1 3 327.388 2.123 20 30 EEEDHM C=C(C)CCC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588412557 1348901853 /nfs/dbraw/zinc/90/18/53/1348901853.db2.gz XIMCXCCJTMDNMY-OAHLLOKOSA-N -1 3 327.388 2.123 20 30 EEEDHM C=C(C)CCC(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C[C@H]1C ZINC001588410622 1348902152 /nfs/dbraw/zinc/90/21/52/1348902152.db2.gz SNWCIXDAGZLNMZ-TZMCWYRMSA-N -1 3 341.419 2.019 20 30 EEEDHM C=C(C)CCC(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C[C@H]1C ZINC001588410622 1348902156 /nfs/dbraw/zinc/90/21/56/1348902156.db2.gz SNWCIXDAGZLNMZ-TZMCWYRMSA-N -1 3 341.419 2.019 20 30 EEEDHM C=C(C)CCC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588412555 1348902405 /nfs/dbraw/zinc/90/24/05/1348902405.db2.gz XIMCXCCJTMDNMY-HNNXBMFYSA-N -1 3 327.388 2.123 20 30 EEEDHM C=C(C)CCC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588412555 1348902408 /nfs/dbraw/zinc/90/24/08/1348902408.db2.gz XIMCXCCJTMDNMY-HNNXBMFYSA-N -1 3 327.388 2.123 20 30 EEEDHM C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC001588456471 1348905784 /nfs/dbraw/zinc/90/57/84/1348905784.db2.gz OJSMPKCPPGRBJE-BETUJISGSA-N -1 3 342.403 2.198 20 30 EEEDHM C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001588476201 1348908273 /nfs/dbraw/zinc/90/82/73/1348908273.db2.gz UCCUJXLOKGDFNU-NEPJUHHUSA-N -1 3 343.435 2.169 20 30 EEEDHM C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001588476201 1348908276 /nfs/dbraw/zinc/90/82/76/1348908276.db2.gz UCCUJXLOKGDFNU-NEPJUHHUSA-N -1 3 343.435 2.169 20 30 EEEDHM C=C[C@H]1CCCCN1C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588527457 1348913488 /nfs/dbraw/zinc/91/34/88/1348913488.db2.gz KRDLMCODLYMVQS-JSGCOSHPSA-N -1 3 327.388 2.201 20 30 EEEDHM C=CC[C@@H]1CCN1C(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001588564604 1348917634 /nfs/dbraw/zinc/91/76/34/1348917634.db2.gz PTLQARLDXGIEKT-SECBINFHSA-N -1 3 348.204 2.420 20 30 EEEDHM C=CC[C@@H]1CCN1C(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001588564604 1348917637 /nfs/dbraw/zinc/91/76/37/1348917637.db2.gz PTLQARLDXGIEKT-SECBINFHSA-N -1 3 348.204 2.420 20 30 EEEDHM C=CCCC(=O)N1CCC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588567195 1348918680 /nfs/dbraw/zinc/91/86/80/1348918680.db2.gz QQEHPINLBXUDQI-GFCCVEGCSA-N 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/nfs/dbraw/zinc/92/33/21/1348923321.db2.gz XTSXCYLPMMVOHU-UHFFFAOYSA-N -1 3 328.420 2.361 20 30 EEEDHM C=CCCCN(CC)C(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001588601994 1348923324 /nfs/dbraw/zinc/92/33/24/1348923324.db2.gz XTSXCYLPMMVOHU-UHFFFAOYSA-N -1 3 328.420 2.361 20 30 EEEDHM C=CCn1c(N)nnc1SCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001588709863 1348929699 /nfs/dbraw/zinc/92/96/99/1348929699.db2.gz XCQGNKJLVQTKSP-UHFFFAOYSA-N -1 3 348.823 2.172 20 30 EEEDHM C=CCn1c(N)nnc1SCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001588709863 1348929703 /nfs/dbraw/zinc/92/97/03/1348929703.db2.gz XCQGNKJLVQTKSP-UHFFFAOYSA-N -1 3 348.823 2.172 20 30 EEEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC001588777469 1348935034 /nfs/dbraw/zinc/93/50/34/1348935034.db2.gz ZQRGBNILENUTOH-UHFFFAOYSA-N -1 3 349.354 2.227 20 30 EEEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC001588777469 1348935038 /nfs/dbraw/zinc/93/50/38/1348935038.db2.gz ZQRGBNILENUTOH-UHFFFAOYSA-N -1 3 349.354 2.227 20 30 EEEDHM CC(=O)c1cccc(C#N)c1OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001588920667 1348948188 /nfs/dbraw/zinc/94/81/88/1348948188.db2.gz SAWMQIJOIIAVDR-UHFFFAOYSA-N -1 3 349.350 2.399 20 30 EEEDHM CC(C)(C#N)CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001589034134 1348953963 /nfs/dbraw/zinc/95/39/63/1348953963.db2.gz RSRFGZNEANXHFN-UHFFFAOYSA-N -1 3 336.399 2.422 20 30 EEEDHM CC(C)(C#N)CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001589034134 1348953965 /nfs/dbraw/zinc/95/39/65/1348953965.db2.gz RSRFGZNEANXHFN-UHFFFAOYSA-N -1 3 336.399 2.422 20 30 EEEDHM CC(C)(C)CN(CCC#N)C(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001589128795 1348963194 /nfs/dbraw/zinc/96/31/94/1348963194.db2.gz HQECWFRJUABGCQ-UHFFFAOYSA-N -1 3 330.367 2.408 20 30 EEEDHM CC(C)(C)CN(CCC#N)C(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001589128795 1348963196 /nfs/dbraw/zinc/96/31/96/1348963196.db2.gz HQECWFRJUABGCQ-UHFFFAOYSA-N -1 3 330.367 2.408 20 30 EEEDHM C[C@H](NC(=O)NCC1(C#N)CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589934570 1349068653 /nfs/dbraw/zinc/06/86/53/1349068653.db2.gz RQSNBUNPMUNNCT-LBPRGKRZSA-N -1 3 339.403 2.311 20 30 EEEDHM C[C@H](NC(=O)NCC1(C#N)CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589934570 1349068658 /nfs/dbraw/zinc/06/86/58/1349068658.db2.gz RQSNBUNPMUNNCT-LBPRGKRZSA-N -1 3 339.403 2.311 20 30 EEEDHM C[C@]1(C#N)CCN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC001590054387 1349133673 /nfs/dbraw/zinc/13/36/73/1349133673.db2.gz JMIBEFWJSBATME-MRXNPFEDSA-N -1 3 341.325 2.433 20 30 EEEDHM C[C@]1(C#N)CCN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC001590054387 1349133679 /nfs/dbraw/zinc/13/36/79/1349133679.db2.gz JMIBEFWJSBATME-MRXNPFEDSA-N -1 3 341.325 2.433 20 30 EEEDHM C[C@@]1(C#N)CN(c2ccc(C(F)(F)F)c(-c3nnn[n-]3)c2)CCO1 ZINC001590056426 1349134777 /nfs/dbraw/zinc/13/47/77/1349134777.db2.gz KTUAVXIQRMVPCO-CYBMUJFWSA-N -1 3 338.293 2.004 20 30 EEEDHM C[C@@]1(C#N)CN(c2ccc(C(F)(F)F)c(-c3nn[n-]n3)c2)CCO1 ZINC001590056426 1349134784 /nfs/dbraw/zinc/13/47/84/1349134784.db2.gz KTUAVXIQRMVPCO-CYBMUJFWSA-N -1 3 338.293 2.004 20 30 EEEDHM C[C@@H]1CC[C@H](CNC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590227747 1349212216 /nfs/dbraw/zinc/21/22/16/1349212216.db2.gz CBHAKHHLVIMBJZ-IVMMDQJWSA-N -1 3 338.415 2.101 20 30 EEEDHM CCC(=NNC(=S)NCC1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590358903 1349282865 /nfs/dbraw/zinc/28/28/65/1349282865.db2.gz KPHGCPZGSRONPB-UHFFFAOYSA-N -1 3 343.460 2.245 20 30 EEEDHM CCC(=NNC(=S)NCC1CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590358903 1349282873 /nfs/dbraw/zinc/28/28/73/1349282873.db2.gz KPHGCPZGSRONPB-UHFFFAOYSA-N -1 3 343.460 2.245 20 30 EEEDHM COc1ccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)cc1O ZINC001591582837 1349510069 /nfs/dbraw/zinc/51/00/69/1349510069.db2.gz PRKDFVYPASBFFG-AWNIVKPZSA-N -1 3 334.335 2.403 20 30 EEEDHM COc1ccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)cc1O ZINC001591582837 1349510076 /nfs/dbraw/zinc/51/00/76/1349510076.db2.gz PRKDFVYPASBFFG-AWNIVKPZSA-N -1 3 334.335 2.403 20 30 EEEDHM Cc1csc([C@@H]2CCN(c3c(C#N)cccc3-c3nnn[n-]3)C2)n1 ZINC001592313262 1349619572 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EEEDHM C=CCCCC(=O)NC[C@@H](C)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001602831574 1350592980 /nfs/dbraw/zinc/59/29/80/1350592980.db2.gz BXNRNQMBCYNEPE-GFCCVEGCSA-N -1 3 346.410 2.303 20 30 EEEDHM C=CCCCC(=O)NC[C@@H](C)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001602831574 1350592983 /nfs/dbraw/zinc/59/29/83/1350592983.db2.gz BXNRNQMBCYNEPE-GFCCVEGCSA-N -1 3 346.410 2.303 20 30 EEEDHM C=CCCCC(=O)NC[C@H](CC)Nc1snc(C)c1-c1nnn[n-]1 ZINC001602832109 1350593194 /nfs/dbraw/zinc/59/31/94/1350593194.db2.gz JYVLVSVEWGTVCG-NSHDSACASA-N -1 3 349.464 2.295 20 30 EEEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001602883731 1350600232 /nfs/dbraw/zinc/60/02/32/1350600232.db2.gz ICMDAONYQQQGDX-OLZOCXBDSA-N -1 3 348.794 2.375 20 30 EEEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001602883731 1350600239 /nfs/dbraw/zinc/60/02/39/1350600239.db2.gz ICMDAONYQQQGDX-OLZOCXBDSA-N -1 3 348.794 2.375 20 30 EEEDHM CC(C)(CC#N)CNC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001603135061 1350648125 /nfs/dbraw/zinc/64/81/25/1350648125.db2.gz HOWMKOBQBNIKGB-UHFFFAOYSA-N -1 3 335.318 2.206 20 30 EEEDHM CC(C)(CC#N)CNC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001603135061 1350648128 /nfs/dbraw/zinc/64/81/28/1350648128.db2.gz HOWMKOBQBNIKGB-UHFFFAOYSA-N -1 3 335.318 2.206 20 30 EEEDHM CC(C)C1(CNC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001603238034 1350668636 /nfs/dbraw/zinc/66/86/36/1350668636.db2.gz KENNFVYKPATIML-HNNXBMFYSA-N -1 3 338.415 2.101 20 30 EEEDHM CC[C@](C)(C#N)C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001603980004 1350818794 /nfs/dbraw/zinc/81/87/94/1350818794.db2.gz GUKJSTKDGDGQPE-MRXNPFEDSA-N -1 3 329.360 2.119 20 30 EEEDHM CC[C@](C)(C#N)C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001603980004 1350818799 /nfs/dbraw/zinc/81/87/99/1350818799.db2.gz GUKJSTKDGDGQPE-MRXNPFEDSA-N -1 3 329.360 2.119 20 30 EEEDHM CN(Cc1cc(-c2nnn[n-]2)cs1)c1ccc(Cl)c(C#N)n1 ZINC001604801659 1351009310 /nfs/dbraw/zinc/00/93/10/1351009310.db2.gz QFDBNSGPHIJTEB-UHFFFAOYSA-N -1 3 331.792 2.485 20 30 EEEDHM CN(Cc1cc(-c2nn[n-]n2)cs1)c1ccc(Cl)c(C#N)n1 ZINC001604801659 1351009313 /nfs/dbraw/zinc/00/93/13/1351009313.db2.gz QFDBNSGPHIJTEB-UHFFFAOYSA-N -1 3 331.792 2.485 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1NC(=O)C=Cc1ccccc1C#N ZINC001605169404 1351094222 /nfs/dbraw/zinc/09/42/22/1351094222.db2.gz GFVBSQHCLCAVFJ-VQHVLOKHSA-N -1 3 346.350 2.399 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1NC(=O)C=Cc1ccccc1C#N ZINC001605169404 1351094223 /nfs/dbraw/zinc/09/42/23/1351094223.db2.gz GFVBSQHCLCAVFJ-VQHVLOKHSA-N -1 3 346.350 2.399 20 30 EEEDHM COc1nc(Cl)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)n1C ZINC001605344151 1351142210 /nfs/dbraw/zinc/14/22/10/1351142210.db2.gz KHGIUDCFZDGNFB-BQYQJAHWSA-N -1 3 344.762 2.158 20 30 EEEDHM COc1nc(Cl)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)n1C ZINC001605344151 1351142212 /nfs/dbraw/zinc/14/22/12/1351142212.db2.gz KHGIUDCFZDGNFB-BQYQJAHWSA-N -1 3 344.762 2.158 20 30 EEEDHM N#Cc1cc(F)cc(NC(=O)N2Cc3cccc(-c4nnn[n-]4)c3C2)c1 ZINC001606362090 1351297376 /nfs/dbraw/zinc/29/73/76/1351297376.db2.gz XPEMBUPBAWASRY-UHFFFAOYSA-N -1 3 349.329 2.425 20 30 EEEDHM N#Cc1cc(F)cc(NC(=O)N2Cc3cccc(-c4nn[n-]n4)c3C2)c1 ZINC001606362090 1351297377 /nfs/dbraw/zinc/29/73/77/1351297377.db2.gz XPEMBUPBAWASRY-UHFFFAOYSA-N -1 3 349.329 2.425 20 30 EEEDHM N#Cc1cc(F)cc(NC(=O)c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001606361338 1351297446 /nfs/dbraw/zinc/29/74/46/1351297446.db2.gz DSYGMCDMHCICBP-UHFFFAOYSA-N -1 3 326.266 2.269 20 30 EEEDHM N#Cc1cc(F)cc(NC(=O)c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001606361338 1351297448 /nfs/dbraw/zinc/29/74/48/1351297448.db2.gz DSYGMCDMHCICBP-UHFFFAOYSA-N -1 3 326.266 2.269 20 30 EEEDHM N#Cc1ccc(NC(=O)c2ncsc2C2CC2)cc1-c1nnn[n-]1 ZINC001606377882 1351298825 /nfs/dbraw/zinc/29/88/25/1351298825.db2.gz VRHZVCPAYOXFSV-UHFFFAOYSA-N -1 3 337.368 2.325 20 30 EEEDHM N#Cc1ccc(NC(=O)c2ncsc2C2CC2)cc1-c1nn[n-]n1 ZINC001606377882 1351298829 /nfs/dbraw/zinc/29/88/29/1351298829.db2.gz VRHZVCPAYOXFSV-UHFFFAOYSA-N -1 3 337.368 2.325 20 30 EEEDHM N#Cc1cnccc1SCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001606388663 1351300319 /nfs/dbraw/zinc/30/03/19/1351300319.db2.gz CICRIFMWBLALEM-UHFFFAOYSA-N -1 3 339.340 2.334 20 30 EEEDHM N#Cc1cnccc1SCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001606388663 1351300321 /nfs/dbraw/zinc/30/03/21/1351300321.db2.gz CICRIFMWBLALEM-UHFFFAOYSA-N -1 3 339.340 2.334 20 30 EEEDHM N#CCCC[C@H](N)C(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001608180164 1351641916 /nfs/dbraw/zinc/64/19/16/1351641916.db2.gz ISCHAEMLHWUJOO-JTQLQIEISA-N -1 3 336.417 2.459 20 30 EEEDHM N#Cc1ccc(CN2CC[C@@H](NCc3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC001608205020 1351646944 /nfs/dbraw/zinc/64/69/44/1351646944.db2.gz UWNKFYGJJBWRHM-GOSISDBHSA-N -1 3 349.390 2.147 20 30 EEEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2snnc2C)c(C)c1[O-] ZINC001187885465 1368273740 /nfs/dbraw/zinc/27/37/40/1368273740.db2.gz MTNAFYWJRHFYSA-UHFFFAOYSA-N -1 3 346.368 2.161 20 30 EEEDHM COc1cccc([C@H](C/N=C/c2c([O-])c(C)ncc2CO)OC)c1 ZINC000864345109 1369593734 /nfs/dbraw/zinc/59/37/34/1369593734.db2.gz OMZRGPMAONRCJA-IFQVXRHPSA-N -1 3 330.384 2.403 20 30 EEEDHM O=C1CCC(=O)N1c1cc(N=Cc2ccc(O)c([O-])c2O)ccc1F ZINC000794687790 1369602194 /nfs/dbraw/zinc/60/21/94/1369602194.db2.gz HCYPATBWQWJXNV-UHFFFAOYSA-N -1 3 344.298 2.347 20 30 EEEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ccn(C)n1 ZINC000835064694 1372584759 /nfs/dbraw/zinc/58/47/59/1372584759.db2.gz XWEOCZZBVDSDJV-JTQLQIEISA-N -1 3 346.774 2.352 20 30 EEEDHM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)Cc1ccc([O-])c(F)c1 ZINC000838141433 1372825703 /nfs/dbraw/zinc/82/57/03/1372825703.db2.gz ORKYHXNMJIPTPO-GTNSWQLSSA-N -1 3 336.363 2.060 20 30 EEEDHM C=CCCC(=O)N(C)[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001753434462 1406741434 /nfs/dbraw/zinc/74/14/34/1406741434.db2.gz WITYZAGNPHPFIX-HNNXBMFYSA-N -1 3 330.432 2.059 20 30 EEEDHM COc1cc(C#N)ccc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001579888968 1403791864 /nfs/dbraw/zinc/79/18/64/1403791864.db2.gz XSDQLOKTIAZBAR-NSHDSACASA-N -1 3 348.366 2.238 20 30 EEEDHM COc1cc(C#N)ccc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001579888968 1403791871 /nfs/dbraw/zinc/79/18/71/1403791871.db2.gz XSDQLOKTIAZBAR-NSHDSACASA-N -1 3 348.366 2.238 20 30 EEEDHM COc1ncc(NC(=O)c2c(C)cc(C#N)cc2C)cc1-c1nnn[n-]1 ZINC001580138746 1403833068 /nfs/dbraw/zinc/83/30/68/1403833068.db2.gz PKBDNPRXOLPPSR-UHFFFAOYSA-N -1 3 349.354 2.011 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)OCC1(C#N)CCC1 ZINC001591845018 1403959766 /nfs/dbraw/zinc/95/97/66/1403959766.db2.gz LAORKMJVLDXMKR-UHFFFAOYSA-N -1 3 325.372 2.263 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)OCC1(C#N)CCC1 ZINC001591845018 1403959772 /nfs/dbraw/zinc/95/97/72/1403959772.db2.gz LAORKMJVLDXMKR-UHFFFAOYSA-N -1 3 325.372 2.263 20 30 EEEDHM N#C[C@]1(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2N)CC12CCCC2 ZINC001592666741 1404708190 /nfs/dbraw/zinc/70/81/90/1404708190.db2.gz KHVIUHPVHVXTAU-INIZCTEOSA-N -1 3 341.350 2.001 20 30 EEEDHM N#C[C@]1(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2N)CC12CCCC2 ZINC001592666741 1404708197 /nfs/dbraw/zinc/70/81/97/1404708197.db2.gz KHVIUHPVHVXTAU-INIZCTEOSA-N -1 3 341.350 2.001 20 30 EEEDHM N#CC1(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC001592670336 1404710034 /nfs/dbraw/zinc/71/00/34/1404710034.db2.gz YBSRIDDAJDQSTF-UHFFFAOYSA-N -1 3 325.763 2.206 20 30 EEEDHM N#CC1(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC001592670336 1404710038 /nfs/dbraw/zinc/71/00/38/1404710038.db2.gz YBSRIDDAJDQSTF-UHFFFAOYSA-N -1 3 325.763 2.206 20 30 EEEDHM N#CCC1CCN(c2nc3cc(Cl)ccn3c2-c2nnn[n-]2)CC1 ZINC001592673526 1404710132 /nfs/dbraw/zinc/71/01/32/1404710132.db2.gz GKVSJUAVGAZVEH-UHFFFAOYSA-N -1 3 342.794 2.298 20 30 EEEDHM N#CCC1CCN(c2nc3cc(Cl)ccn3c2-c2nn[n-]n2)CC1 ZINC001592673526 1404710135 /nfs/dbraw/zinc/71/01/35/1404710135.db2.gz GKVSJUAVGAZVEH-UHFFFAOYSA-N -1 3 342.794 2.298 20 30 EEEDHM N#CCCC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccccc1 ZINC001592675071 1404712562 /nfs/dbraw/zinc/71/25/62/1404712562.db2.gz QDWIBWPYYFZVJK-CQSZACIVSA-N -1 3 335.371 2.360 20 30 EEEDHM N#CCCC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccccc1 ZINC001592675071 1404712567 /nfs/dbraw/zinc/71/25/67/1404712567.db2.gz QDWIBWPYYFZVJK-CQSZACIVSA-N -1 3 335.371 2.360 20 30 EEEDHM N#CCN(C(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1)c1ccccc1 ZINC001592677806 1404712939 /nfs/dbraw/zinc/71/29/39/1404712939.db2.gz UFUFYIDXYNLVBL-UHFFFAOYSA-N -1 3 339.746 2.085 20 30 EEEDHM N#CCOc1ccc(NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC001592679915 1404714830 /nfs/dbraw/zinc/71/48/30/1404714830.db2.gz ATIDPZRMDDJTPT-UHFFFAOYSA-N -1 3 338.302 2.160 20 30 EEEDHM N#CCOc1ccc(NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC001592679915 1404714835 /nfs/dbraw/zinc/71/48/35/1404714835.db2.gz ATIDPZRMDDJTPT-UHFFFAOYSA-N -1 3 338.302 2.160 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1nc2c(cccc2F)[nH]1 ZINC001592700022 1404717300 /nfs/dbraw/zinc/71/73/00/1404717300.db2.gz XHMKIVYZYWGJQB-UHFFFAOYSA-N -1 3 334.318 2.366 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1nc2c(cccc2F)[nH]1 ZINC001592700022 1404717305 /nfs/dbraw/zinc/71/73/05/1404717305.db2.gz XHMKIVYZYWGJQB-UHFFFAOYSA-N -1 3 334.318 2.366 20 30 EEEDHM N#CC1(CNc2nc(Br)ccc2-c2nnn[n-]2)CCC1 ZINC001606343407 1404800641 /nfs/dbraw/zinc/80/06/41/1404800641.db2.gz NPHVUSAFAAMGPA-UHFFFAOYSA-N -1 3 334.181 2.130 20 30 EEEDHM N#CC1(CNc2nc(Br)ccc2-c2nn[n-]n2)CCC1 ZINC001606343407 1404800648 /nfs/dbraw/zinc/80/06/48/1404800648.db2.gz NPHVUSAFAAMGPA-UHFFFAOYSA-N -1 3 334.181 2.130 20 30 EEEDHM COc1cc(C(=O)NCc2cccc(OCC#N)c2)cc(OC)c1[O-] ZINC001771654833 1409902414 /nfs/dbraw/zinc/90/24/14/1409902414.db2.gz YNCDNNQJSJIJCD-UHFFFAOYSA-N -1 3 342.351 2.242 20 30 EEEDHM CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ncccc3[O-])C(C)(C)[C@H]21 ZINC001087282706 761442047 /nfs/dbraw/zinc/44/20/47/761442047.db2.gz CEIDXVYHASEYIE-XYPHTWIQSA-N -1 3 327.428 2.029 20 30 EEEDHM Cc1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)c(C)cc1Br ZINC000816755738 784241503 /nfs/dbraw/zinc/24/15/03/784241503.db2.gz ICGKQBBYESTGFD-GFCCVEGCSA-N -1 3 341.205 2.176 20 30 EEEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000816756686 784242311 /nfs/dbraw/zinc/24/23/11/784242311.db2.gz CAYZDVUFVCSZGD-NSHDSACASA-N -1 3 335.747 2.105 20 30 EEEDHM Cc1ccc(-c2nc(C)c(C(=O)N[C@H]3CCCN([O-])C3=O)s2)o1 ZINC000816757393 784243454 /nfs/dbraw/zinc/24/34/54/784243454.db2.gz RGVVWJHNJUGFST-JTQLQIEISA-N -1 3 335.385 2.130 20 30 EEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc2n(n1)CCC2 ZINC000817476682 784807732 /nfs/dbraw/zinc/80/77/32/784807732.db2.gz UPKBRGVDGIYPRX-UHFFFAOYSA-N -1 3 340.383 2.094 20 30 EEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccnc2C)ccc1F ZINC000073349705 785233984 /nfs/dbraw/zinc/23/39/84/785233984.db2.gz ROVODAJIFPGEFT-UHFFFAOYSA-N -1 3 349.387 2.246 20 30 EEEDHM Cc1ccc(Oc2ccc(C(=O)N[C@H]3CCCN([O-])C3=O)cc2)nc1 ZINC000908403911 785387445 /nfs/dbraw/zinc/38/74/45/785387445.db2.gz VNKDNTHGRWFHSO-HNNXBMFYSA-N -1 3 341.367 2.292 20 30 EEEDHM CCc1ccc(-c2cc(C(=O)N[C@H]3CCCN([O-])C3=O)no2)cc1 ZINC000908403426 785387515 /nfs/dbraw/zinc/38/75/15/785387515.db2.gz OTGIOOSUNRJVRU-ZDUSSCGKSA-N -1 3 329.356 2.014 20 30 EEEDHM C=CCCCN1CC(OC2CCN(C(=O)c3ncccc3[O-])CC2)C1 ZINC001105703049 785585120 /nfs/dbraw/zinc/58/51/20/785585120.db2.gz MEBUBLJNCQTZKQ-UHFFFAOYSA-N -1 3 345.443 2.059 20 30 EEEDHM C=CCN1CCC(NC(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)CC1 ZINC000908945905 785868136 /nfs/dbraw/zinc/86/81/36/785868136.db2.gz LHBYPVIZLXHTLE-QGZVFWFLSA-N -1 3 345.443 2.379 20 30 EEEDHM C=C(C)CO[N-]C(=O)Cc1ccc(OC)cc1C(=O)NOCC(=C)C ZINC000824233530 788094013 /nfs/dbraw/zinc/09/40/13/788094013.db2.gz SZIRXBQFVUCQSB-UHFFFAOYSA-N -1 3 348.399 2.099 20 30 EEEDHM CCN(C(=O)c1ccccc1[O-])[C@H]1CCN(c2ccncc2C#N)C1 ZINC001063079354 790183980 /nfs/dbraw/zinc/18/39/80/790183980.db2.gz VRUAALLZXNWJMF-HNNXBMFYSA-N -1 3 336.395 2.400 20 30 EEEDHM C=C[C@H](C)O[N-]C(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C ZINC000846549029 790229010 /nfs/dbraw/zinc/22/90/10/790229010.db2.gz IQMSUOXEBOGKBN-JTQLQIEISA-N -1 3 332.404 2.149 20 30 EEEDHM C=C(C)CO[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 ZINC000846540130 790237265 /nfs/dbraw/zinc/23/72/65/790237265.db2.gz UOGINKRWUHHCHH-CQSZACIVSA-N -1 3 342.399 2.039 20 30 EEEDHM N#Cc1cncc(NC[C@@H]2CCC[C@@H]2NC(=O)c2ccccc2[O-])n1 ZINC001064058096 792228229 /nfs/dbraw/zinc/22/82/29/792228229.db2.gz WISFQWSUFFNIBK-WFASDCNBSA-N -1 3 337.383 2.064 20 30 EEEDHM Cc1cc(NC[C@@H]2CCCN2C(=O)c2ccccc2[O-])c(C#N)cn1 ZINC001064852999 793887887 /nfs/dbraw/zinc/88/78/87/793887887.db2.gz PYKOIEVMJOHVMQ-HNNXBMFYSA-N -1 3 336.395 2.106 20 30 EEEDHM C#CCCCCC(=O)N1CC(N(CC)C(=O)c2ccccc2[O-])C1 ZINC001079321618 794578603 /nfs/dbraw/zinc/57/86/03/794578603.db2.gz VKZLIORHUSOCGB-UHFFFAOYSA-N -1 3 328.412 2.259 20 30 EEEDHM C=C(C)CN1CCC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H]1C ZINC000994206997 797387799 /nfs/dbraw/zinc/38/77/99/797387799.db2.gz DZEGXYADOIEPIV-RYUDHWBXSA-N -1 3 330.388 2.087 20 30 EEEDHM N#Cc1cnccc1N[C@@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001061046429 797515625 /nfs/dbraw/zinc/51/56/25/797515625.db2.gz AIJMBDMBEDHKEW-HUUCEWRRSA-N -1 3 336.395 2.234 20 30 EEEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cccc3c2OCO3)c1 ZINC000917424293 798217953 /nfs/dbraw/zinc/21/79/53/798217953.db2.gz JQLNJHJCBPDMAT-CQSZACIVSA-N -1 3 338.319 2.385 20 30 EEEDHM C=CCC1(C(=O)N[C@H](C)CCCCNCc2n[nH]c(=O)[n-]2)CCCC1 ZINC001176854572 798622072 /nfs/dbraw/zinc/62/20/72/798622072.db2.gz QIZXVUOCQXBJPZ-CQSZACIVSA-N -1 3 349.479 2.411 20 30 EEEDHM C[C@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CNc1ccc(C#N)nc1 ZINC001065796173 799529402 /nfs/dbraw/zinc/52/94/02/799529402.db2.gz XGHJLKKLXRIYNP-UONOGXRCSA-N -1 3 336.395 2.479 20 30 EEEDHM N#Cc1cnccc1N1C[C@@H]2CCCN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001066219696 800184640 /nfs/dbraw/zinc/18/46/40/800184640.db2.gz PRAAGLSYDVJNRS-KBXCAEBGSA-N -1 3 348.406 2.400 20 30 EEEDHM Cc1cc(N2CC[C@H](CNC(=O)c3ccccc3[O-])C2)c(C#N)cn1 ZINC001061509764 802312680 /nfs/dbraw/zinc/31/26/80/802312680.db2.gz IVEHDENUSQHZRR-CQSZACIVSA-N -1 3 336.395 2.224 20 30 EEEDHM N#Cc1cc(NC(=O)C2(CC3CC3)CCS(=O)(=O)CC2)ccc1[O-] ZINC001185355389 802462362 /nfs/dbraw/zinc/46/23/62/802462362.db2.gz DFXNLFYOPXTUKC-UHFFFAOYSA-N -1 3 348.424 2.197 20 30 EEEDHM CCCC[C@H](CNc1cnc(C#N)cn1)NC(=O)c1ccccc1[O-] ZINC001114203066 810583688 /nfs/dbraw/zinc/58/36/88/810583688.db2.gz WSPNSMBOELZSLO-CYBMUJFWSA-N -1 3 339.399 2.455 20 30 EEEDHM C#C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)c1ccccc1 ZINC001573281256 946674041 /nfs/dbraw/zinc/67/40/41/946674041.db2.gz WTRIRSQBBJKFTA-CQSZACIVSA-N -1 3 348.366 2.371 20 30 EEEDHM C#C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)c1ccccc1 ZINC001573281256 946674048 /nfs/dbraw/zinc/67/40/48/946674048.db2.gz WTRIRSQBBJKFTA-CQSZACIVSA-N -1 3 348.366 2.371 20 30 EEEDHM C=CCCC(=O)N[C@@H](C)[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001573327845 947395480 /nfs/dbraw/zinc/39/54/80/947395480.db2.gz LTFNFRFMPZVYRZ-QWRGUYRKSA-N -1 3 332.383 2.277 20 30 EEEDHM C=CCCC(=O)N[C@@H](C)[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001573327845 947395490 /nfs/dbraw/zinc/39/54/90/947395490.db2.gz LTFNFRFMPZVYRZ-QWRGUYRKSA-N -1 3 332.383 2.277 20 30 EEEDHM C=CCCCC(=O)N[C@@H](C)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573334785 947465238 /nfs/dbraw/zinc/46/52/38/947465238.db2.gz ROPIGTBNAONOIT-QWRGUYRKSA-N -1 3 347.398 2.062 20 30 EEEDHM C=CCCCC(=O)N[C@@H](C)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573334785 947465243 /nfs/dbraw/zinc/46/52/43/947465243.db2.gz ROPIGTBNAONOIT-QWRGUYRKSA-N -1 3 347.398 2.062 20 30 EEEDHM C=CCOc1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)ccn2)cc1 ZINC001573348999 947589304 /nfs/dbraw/zinc/58/93/04/947589304.db2.gz XUMOVJWCUGGGOM-UHFFFAOYSA-N -1 3 336.355 2.008 20 30 EEEDHM C=CCOc1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)ccn2)cc1 ZINC001573348999 947589307 /nfs/dbraw/zinc/58/93/07/947589307.db2.gz XUMOVJWCUGGGOM-UHFFFAOYSA-N -1 3 336.355 2.008 20 30 EEEDHM N#C[C@@H](OC(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000826380084 948176191 /nfs/dbraw/zinc/17/61/91/948176191.db2.gz MLQCTHYURODRGD-OAHLLOKOSA-N -1 3 341.371 2.261 20 30 EEEDHM N#Cc1cc(NC(=O)c2cc(-c3nnn[n-]3)ccc2F)ccc1F ZINC001570926099 948681869 /nfs/dbraw/zinc/68/18/69/948681869.db2.gz VYNHDCNUMIAGPU-UHFFFAOYSA-N -1 3 326.266 2.269 20 30 EEEDHM N#Cc1cc(NC(=O)c2cc(-c3nn[n-]n3)ccc2F)ccc1F ZINC001570926099 948681873 /nfs/dbraw/zinc/68/18/73/948681873.db2.gz VYNHDCNUMIAGPU-UHFFFAOYSA-N -1 3 326.266 2.269 20 30 EEEDHM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001570948722 949617219 /nfs/dbraw/zinc/61/72/19/949617219.db2.gz HMPQNJKMYMXKGL-INIZCTEOSA-N -1 3 348.341 2.295 20 30 EEEDHM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001570948722 949617236 /nfs/dbraw/zinc/61/72/36/949617236.db2.gz HMPQNJKMYMXKGL-INIZCTEOSA-N -1 3 348.341 2.295 20 30 EEEDHM C#CC[C@H](CCOC)NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001588389661 958012004 /nfs/dbraw/zinc/01/20/04/958012004.db2.gz ZEOYAHGUVBVBMU-HUUCEWRRSA-N -1 3 334.416 2.099 20 30 EEEDHM C#CCOc1ccccc1CNC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001588433038 958291108 /nfs/dbraw/zinc/29/11/08/958291108.db2.gz APJVOCOHLFYVMG-WUJZJPHMSA-N -1 3 329.396 2.201 20 30 EEEDHM C#CC[C@H](CCOC)NCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001573317678 958454549 /nfs/dbraw/zinc/45/45/49/958454549.db2.gz FMACGOUDIUGZRM-OAHLLOKOSA-N -1 3 334.416 2.099 20 30 EEEDHM COc1cccc([C@](C)(CC(=O)[O-])NCc2ccnc(C#N)c2)c1 ZINC001599655330 994569758 /nfs/dbraw/zinc/56/97/58/994569758.db2.gz JMKKJKKNNWKIEM-SFHVURJKSA-N -1 3 325.368 2.442 20 30 EEEDHM C[C@@H](c1cccc(C#N)c1)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001593699817 996172685 /nfs/dbraw/zinc/17/26/85/996172685.db2.gz ZWCUEWQRNJDRSG-LBPRGKRZSA-N -1 3 325.372 2.246 20 30 EEEDHM Cc1cc2n[n-]c(NC(=O)c3ccc(Cl)c(C#N)c3)c2c(=O)n1C ZINC001452053709 1098156936 /nfs/dbraw/zinc/15/69/36/1098156936.db2.gz SSXSCRZEGJKBRF-UHFFFAOYSA-N -1 3 341.758 2.347 20 30 EEEDHM C[C@@H](CNCc1ccc(C#N)cc1F)N(C)C(=O)c1ncccc1[O-] ZINC001496037191 1101964384 /nfs/dbraw/zinc/96/43/84/1101964384.db2.gz BDXITFGXYIORMV-LBPRGKRZSA-N -1 3 342.374 2.048 20 30 EEEDHM C=CCC1(C(=O)N[C@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)CCCC1 ZINC001521952037 1119289663 /nfs/dbraw/zinc/28/96/63/1119289663.db2.gz ZKSAWZGEGUGPCU-AWEZNQCLSA-N -1 3 330.432 2.322 20 30 EEEDHM 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/nfs/dbraw/zinc/82/77/69/1351827769.db2.gz GMXWCOHATKULDI-UHFFFAOYSA-N -1 3 349.398 2.405 20 30 EEEDHM CC(=O)Nc1cccc(CNc2c(C#N)cccc2-c2nnn[n-]2)c1 ZINC001609064880 1351828387 /nfs/dbraw/zinc/82/83/87/1351828387.db2.gz ZCWPNYYXJWYXJA-UHFFFAOYSA-N -1 3 333.355 2.309 20 30 EEEDHM CC(=O)Nc1cccc(CNc2c(C#N)cccc2-c2nn[n-]n2)c1 ZINC001609064880 1351828389 /nfs/dbraw/zinc/82/83/89/1351828389.db2.gz ZCWPNYYXJWYXJA-UHFFFAOYSA-N -1 3 333.355 2.309 20 30 EEEDHM CCOCCON=Cc1cccn1Cc1ccccc1-c1nnn[n-]1 ZINC001609241460 1351906117 /nfs/dbraw/zinc/90/61/17/1351906117.db2.gz ZKPNBTBADNOVQQ-UHFFFAOYSA-N -1 3 340.387 2.104 20 30 EEEDHM CCOCCON=Cc1cccn1Cc1ccccc1-c1nn[n-]n1 ZINC001609241460 1351906120 /nfs/dbraw/zinc/90/61/20/1351906120.db2.gz ZKPNBTBADNOVQQ-UHFFFAOYSA-N -1 3 340.387 2.104 20 30 EEEDHM CN(CC(C)(C)C#N)C(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001609271623 1351917105 /nfs/dbraw/zinc/91/71/05/1351917105.db2.gz IMFMNVLUBZVWNW-UHFFFAOYSA-N -1 3 344.394 2.292 20 30 EEEDHM CN(CC(C)(C)C#N)C(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001609271623 1351917107 /nfs/dbraw/zinc/91/71/07/1351917107.db2.gz IMFMNVLUBZVWNW-UHFFFAOYSA-N -1 3 344.394 2.292 20 30 EEEDHM COc1ccc(C=CC(=O)c2cn3ccccc3n2)cc1-c1nnn[n-]1 ZINC001609353480 1351942827 /nfs/dbraw/zinc/94/28/27/1351942827.db2.gz BYVLLRQZCLXXBZ-ALCCZGGFSA-N -1 3 346.350 2.419 20 30 EEEDHM COc1ccc(C=CC(=O)c2cn3ccccc3n2)cc1-c1nn[n-]n1 ZINC001609353480 1351942829 /nfs/dbraw/zinc/94/28/29/1351942829.db2.gz BYVLLRQZCLXXBZ-ALCCZGGFSA-N -1 3 346.350 2.419 20 30 EEEDHM C[C@H](CC#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001330599592 1334875173 /nfs/dbraw/zinc/87/51/73/1334875173.db2.gz YYADIBVKUBFTSP-ZCFIWIBFSA-N -1 3 327.715 2.334 20 30 EEEDHM Cc1nc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1C#N ZINC001609448554 1351981542 /nfs/dbraw/zinc/98/15/42/1351981542.db2.gz LYHFMUWDSUZYFE-LLVKDONJSA-N -1 3 334.339 2.360 20 30 EEEDHM Cc1nc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1C#N ZINC001609448554 1351981544 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/nfs/dbraw/zinc/57/88/21/1344578821.db2.gz JPRNBGRNEIBJTD-NSHDSACASA-N -1 3 348.370 2.325 20 30 EEEDHM C#CCN(CC1CC1)c1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1 ZINC001588350803 1348893366 /nfs/dbraw/zinc/89/33/66/1348893366.db2.gz QJECFHBCWDUOBJ-UHFFFAOYSA-N -1 3 347.382 2.299 20 30 EEEDHM C#CCN(CC1CC1)c1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1 ZINC001588350803 1348893371 /nfs/dbraw/zinc/89/33/71/1348893371.db2.gz QJECFHBCWDUOBJ-UHFFFAOYSA-N -1 3 347.382 2.299 20 30 EEEDHM C#CCOc1ccc(NC(=O)c2cscc2-c2nnn[n-]2)cc1 ZINC001588361597 1348894633 /nfs/dbraw/zinc/89/46/33/1348894633.db2.gz BYUWGPIGKMPXNY-UHFFFAOYSA-N -1 3 325.353 2.193 20 30 EEEDHM C#CCOc1ccc(NC(=O)c2cscc2-c2nn[n-]n2)cc1 ZINC001588361597 1348894640 /nfs/dbraw/zinc/89/46/40/1348894640.db2.gz BYUWGPIGKMPXNY-UHFFFAOYSA-N -1 3 325.353 2.193 20 30 EEEDHM C#Cc1cccc(N(CC)C(=O)c2ccc(-c3nnn[n-]3)c(C)n2)c1 ZINC001588374605 1348897534 /nfs/dbraw/zinc/89/75/34/1348897534.db2.gz CWLDKPYNQLBEOQ-UHFFFAOYSA-N -1 3 332.367 2.218 20 30 EEEDHM C#Cc1cccc(N(CC)C(=O)c2ccc(-c3nn[n-]n3)c(C)n2)c1 ZINC001588374605 1348897539 /nfs/dbraw/zinc/89/75/39/1348897539.db2.gz CWLDKPYNQLBEOQ-UHFFFAOYSA-N -1 3 332.367 2.218 20 30 EEEDHM C=C(C)COc1c(-c2nnn[n-]2)cnc2c(OC)cc(OC)cc21 ZINC001588429388 1348904478 /nfs/dbraw/zinc/90/44/78/1348904478.db2.gz KBBNQJHVFAXTRR-UHFFFAOYSA-N -1 3 327.344 2.387 20 30 EEEDHM C=C1CN(C(=O)Nc2ccc(OC(F)(F)F)c(-c3nnn[n-]3)c2)C1 ZINC001588462480 1348906869 /nfs/dbraw/zinc/90/68/69/1348906869.db2.gz INYJTANHTUSCOX-UHFFFAOYSA-N -1 3 340.265 2.169 20 30 EEEDHM C=C1CN(C(=O)Nc2ccc(OC(F)(F)F)c(-c3nn[n-]n3)c2)C1 ZINC001588462480 1348906874 /nfs/dbraw/zinc/90/68/74/1348906874.db2.gz INYJTANHTUSCOX-UHFFFAOYSA-N -1 3 340.265 2.169 20 30 EEEDHM C=C[C@H](CC)CC(=O)N[C@@H](C)CCNc1ncccc1-c1nnn[n-]1 ZINC001588520571 1348912477 /nfs/dbraw/zinc/91/24/77/1348912477.db2.gz CMFOOIBZAZQFCZ-QWHCGFSZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@H](CC)CC(=O)N[C@@H](C)CCNc1ncccc1-c1nn[n-]n1 ZINC001588520571 1348912480 /nfs/dbraw/zinc/91/24/80/1348912480.db2.gz CMFOOIBZAZQFCZ-QWHCGFSZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCC1(NC(=O)c2cc(-c3nnn[n-]3)ccc2C)CCOCC1 ZINC001588556709 1348916054 /nfs/dbraw/zinc/91/60/54/1348916054.db2.gz FBZNUWQFPYTPAR-UHFFFAOYSA-N -1 3 327.388 2.030 20 30 EEEDHM C=CCC1(NC(=O)c2cc(-c3nn[n-]n3)ccc2C)CCOCC1 ZINC001588556709 1348916057 /nfs/dbraw/zinc/91/60/57/1348916057.db2.gz FBZNUWQFPYTPAR-UHFFFAOYSA-N -1 3 327.388 2.030 20 30 EEEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588560490 1348916424 /nfs/dbraw/zinc/91/64/24/1348916424.db2.gz RNAWMIHRQUGJGG-UHOFOFEASA-N -1 3 341.415 2.151 20 30 EEEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588560490 1348916428 /nfs/dbraw/zinc/91/64/28/1348916428.db2.gz RNAWMIHRQUGJGG-UHOFOFEASA-N -1 3 341.415 2.151 20 30 EEEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC001588561294 1348917080 /nfs/dbraw/zinc/91/70/80/1348917080.db2.gz ZDILCPXQBGSIJJ-HIFRSBDPSA-N -1 3 341.415 2.497 20 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/nfs/dbraw/zinc/92/43/90/1348924390.db2.gz DXRBQCHFQZRHNM-UHFFFAOYSA-N -1 3 333.779 2.100 20 30 EEEDHM C=CCN(CC=C)C(=O)COc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001588631428 1348924393 /nfs/dbraw/zinc/92/43/93/1348924393.db2.gz DXRBQCHFQZRHNM-UHFFFAOYSA-N -1 3 333.779 2.100 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCOC[C@@H]1C ZINC001588639045 1348924971 /nfs/dbraw/zinc/92/49/71/1348924971.db2.gz MVPREXFGNATMAY-XJKSGUPXSA-N -1 3 341.415 2.054 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCOC[C@@H]1C ZINC001588639045 1348924973 /nfs/dbraw/zinc/92/49/73/1348924973.db2.gz MVPREXFGNATMAY-XJKSGUPXSA-N -1 3 341.415 2.054 20 30 EEEDHM C=CCN(CC=C)C(=O)CSc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC001588632379 1348925480 /nfs/dbraw/zinc/92/54/80/1348925480.db2.gz WJYNSCPJVWRYGX-UHFFFAOYSA-N -1 3 344.444 2.171 20 30 EEEDHM C=CCN(CC=C)C(=O)CSc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC001588632379 1348925483 /nfs/dbraw/zinc/92/54/83/1348925483.db2.gz WJYNSCPJVWRYGX-UHFFFAOYSA-N -1 3 344.444 2.171 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(C)nc1 ZINC001588649096 1348927454 /nfs/dbraw/zinc/92/74/54/1348927454.db2.gz ZUMMRJHWZMLTHG-UHFFFAOYSA-N -1 3 334.383 2.399 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(C)nc1 ZINC001588649096 1348927456 /nfs/dbraw/zinc/92/74/56/1348927456.db2.gz ZUMMRJHWZMLTHG-UHFFFAOYSA-N -1 3 334.383 2.399 20 30 EEEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)[nH]2)nnc1N1CCCCCC1 ZINC001588695667 1348929994 /nfs/dbraw/zinc/92/99/94/1348929994.db2.gz HEOFIMSVODJOGR-UHFFFAOYSA-N -1 3 339.407 2.020 20 30 EEEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)[nH]2)nnc1N1CCCCCC1 ZINC001588695667 1348929995 /nfs/dbraw/zinc/92/99/95/1348929995.db2.gz HEOFIMSVODJOGR-UHFFFAOYSA-N -1 3 339.407 2.020 20 30 EEEDHM CCN(C[C@@H](C)C#N)C(=O)CSc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001590682574 1349388519 /nfs/dbraw/zinc/38/85/19/1349388519.db2.gz MUZMLJPKPHEWBA-NSHDSACASA-N -1 3 344.444 2.275 20 30 EEEDHM CCN(C[C@@H](C)C#N)C(=O)CSc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001590682574 1349388523 /nfs/dbraw/zinc/38/85/23/1349388523.db2.gz MUZMLJPKPHEWBA-NSHDSACASA-N -1 3 344.444 2.275 20 30 EEEDHM COc1ccc(Oc2c(C#N)cccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591621708 1349519248 /nfs/dbraw/zinc/51/92/48/1349519248.db2.gz UJUNLMZWDNXCCJ-UHFFFAOYSA-N -1 3 338.283 2.447 20 30 EEEDHM COc1ccc(Oc2c(C#N)cccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591621708 1349519249 /nfs/dbraw/zinc/51/92/49/1349519249.db2.gz UJUNLMZWDNXCCJ-UHFFFAOYSA-N -1 3 338.283 2.447 20 30 EEEDHM Cc1ccc(CNC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001592155867 1349596213 /nfs/dbraw/zinc/59/62/13/1349596213.db2.gz KJOVEATXOGIWET-KRWDZBQOSA-N -1 3 346.394 2.174 20 30 EEEDHM Cc1nc(C)c(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)o1 ZINC001592357343 1349624231 /nfs/dbraw/zinc/62/42/31/1349624231.db2.gz QLKRWZMDXLIAGZ-VOTSOKGWSA-N -1 3 338.371 2.424 20 30 EEEDHM Cc1nc(C)c(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)o1 ZINC001592357343 1349624232 /nfs/dbraw/zinc/62/42/32/1349624232.db2.gz QLKRWZMDXLIAGZ-VOTSOKGWSA-N -1 3 338.371 2.424 20 30 EEEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2COCc3ccccc32)n1 ZINC001592524907 1349646750 /nfs/dbraw/zinc/64/67/50/1349646750.db2.gz OKAVVBNBJRIQSH-UHFFFAOYSA-N -1 3 341.762 2.262 20 30 EEEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2COCc3ccccc32)n1 ZINC001592524907 1349646753 /nfs/dbraw/zinc/64/67/53/1349646753.db2.gz OKAVVBNBJRIQSH-UHFFFAOYSA-N -1 3 341.762 2.262 20 30 EEEDHM N#C[C@]1(c2ccccn2)CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001592671167 1349704406 /nfs/dbraw/zinc/70/44/06/1349704406.db2.gz GYRZGOJTTRCUKS-GOSISDBHSA-N -1 3 349.373 2.463 20 30 EEEDHM N#C[C@]1(c2ccccn2)CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001592671167 1349704409 /nfs/dbraw/zinc/70/44/09/1349704409.db2.gz GYRZGOJTTRCUKS-GOSISDBHSA-N -1 3 349.373 2.463 20 30 EEEDHM N#Cc1ccc2c(c1)N(c1ccc(-c3nnn[n-]3)c([N+](=O)[O-])c1)CC2 ZINC001592697933 1349707281 /nfs/dbraw/zinc/70/72/81/1349707281.db2.gz CMKCIBAIRFISKM-UHFFFAOYSA-N -1 3 333.311 2.341 20 30 EEEDHM O=C1C(=Cc2cccc3nccn32)Cc2ccc(-c3nnn[n-]3)cc21 ZINC001593381009 1349794500 /nfs/dbraw/zinc/79/45/00/1349794500.db2.gz VYPOBFLUNFWNBG-UKTHLTGXSA-N -1 3 328.335 2.337 20 30 EEEDHM O=C1C(=Cc2cccc3nccn32)Cc2ccc(-c3nn[n-]n3)cc21 ZINC001593381009 1349794502 /nfs/dbraw/zinc/79/45/02/1349794502.db2.gz VYPOBFLUNFWNBG-UKTHLTGXSA-N -1 3 328.335 2.337 20 30 EEEDHM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@H]2N1CCOc1ccccc1C#N ZINC001594338707 1349875042 /nfs/dbraw/zinc/87/50/42/1349875042.db2.gz CQNXVZVUQMVPEZ-QIJZBDPFSA-N -1 3 330.384 2.032 20 30 EEEDHM C#CCCCCNc1c(-c2nnn[n-]2)cnc2c(F)c(F)c(F)cc21 ZINC001602711176 1350576397 /nfs/dbraw/zinc/57/63/97/1350576397.db2.gz LRWMKCFWALYHDN-UHFFFAOYSA-N -1 3 346.316 2.470 20 30 EEEDHM C#CCCCCNc1c(-c2nn[n-]n2)cnc2c(F)c(F)c(F)cc21 ZINC001602711176 1350576402 /nfs/dbraw/zinc/57/64/02/1350576402.db2.gz LRWMKCFWALYHDN-UHFFFAOYSA-N -1 3 346.316 2.470 20 30 EEEDHM C=C(C)CCC(=O)N(C)C[C@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001602756646 1350582690 /nfs/dbraw/zinc/58/26/90/1350582690.db2.gz UIOYYLMNQNAFON-JTQLQIEISA-N -1 3 349.464 2.247 20 30 EEEDHM C=C[C@](C)(CCOC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1NC ZINC001602793663 1350587273 /nfs/dbraw/zinc/58/72/73/1350587273.db2.gz FEBUXVWCEIFFBD-MRXNPFEDSA-N -1 3 330.392 2.076 20 30 EEEDHM C=C[C@H](CC)CC(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001602799639 1350587475 /nfs/dbraw/zinc/58/74/75/1350587475.db2.gz FBEHGWRAZKGHQG-QWHCGFSZSA-N -1 3 343.435 2.028 20 30 EEEDHM C=C[C@H](CC)CC(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001602799639 1350587478 /nfs/dbraw/zinc/58/74/78/1350587478.db2.gz FBEHGWRAZKGHQG-QWHCGFSZSA-N -1 3 343.435 2.028 20 30 EEEDHM C=C[C@](C)(CCOC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001602795406 1350587555 /nfs/dbraw/zinc/58/75/55/1350587555.db2.gz RHDSKYMIAMIHIF-MRXNPFEDSA-N -1 3 331.376 2.043 20 30 EEEDHM C=C[C@](C)(CCOC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001602795406 1350587557 /nfs/dbraw/zinc/58/75/57/1350587557.db2.gz RHDSKYMIAMIHIF-MRXNPFEDSA-N -1 3 331.376 2.043 20 30 EEEDHM C=CCCC(=O)NCCN(CCC)c1cccc(F)c1-c1nnn[n-]1 ZINC001602827444 1350592666 /nfs/dbraw/zinc/59/26/66/1350592666.db2.gz XEXKUSYGDFTMBR-UHFFFAOYSA-N -1 3 346.410 2.305 20 30 EEEDHM C=CCCC(=O)NCCN(CCC)c1cccc(F)c1-c1nn[n-]n1 ZINC001602827444 1350592667 /nfs/dbraw/zinc/59/26/67/1350592667.db2.gz XEXKUSYGDFTMBR-UHFFFAOYSA-N -1 3 346.410 2.305 20 30 EEEDHM C=CCC[C@H]1CCCN1C(=O)Nc1cnc(OC)c(-c2nnn[n-]2)c1 ZINC001602833641 1350592849 /nfs/dbraw/zinc/59/28/49/1350592849.db2.gz SURPVTUUAZELGO-LBPRGKRZSA-N -1 3 343.391 2.233 20 30 EEEDHM C=CCC[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1-c1nnn[n-]1 ZINC001602833585 1350593470 /nfs/dbraw/zinc/59/34/70/1350593470.db2.gz RAFBZBKEVKKDCQ-ZDUSSCGKSA-N -1 3 347.444 2.294 20 30 EEEDHM C=CCC[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1-c1nn[n-]n1 ZINC001602833585 1350593474 /nfs/dbraw/zinc/59/34/74/1350593474.db2.gz RAFBZBKEVKKDCQ-ZDUSSCGKSA-N -1 3 347.444 2.294 20 30 EEEDHM C=CCC[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001602833976 1350593696 /nfs/dbraw/zinc/59/36/96/1350593696.db2.gz YPEGBYUONYIISX-SNVBAGLBSA-N -1 3 332.795 2.486 20 30 EEEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC001602876030 1350599500 /nfs/dbraw/zinc/59/95/00/1350599500.db2.gz PFDCTEBKMAVWHR-GJZGRUSLSA-N -1 3 348.414 2.300 20 30 EEEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC001602876030 1350599503 /nfs/dbraw/zinc/59/95/03/1350599503.db2.gz PFDCTEBKMAVWHR-GJZGRUSLSA-N -1 3 348.414 2.300 20 30 EEEDHM C[C@@H](OC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC001603697736 1350745125 /nfs/dbraw/zinc/74/51/25/1350745125.db2.gz OIJPWBPOVUMYNW-MLGOLLRUSA-N -1 3 348.366 2.248 20 30 EEEDHM C[C@@H](OC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC001603697736 1350745128 /nfs/dbraw/zinc/74/51/28/1350745128.db2.gz OIJPWBPOVUMYNW-MLGOLLRUSA-N -1 3 348.366 2.248 20 30 EEEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(C)(C)CCC#N ZINC001603709888 1350747905 /nfs/dbraw/zinc/74/79/05/1350747905.db2.gz SXUXXZSVRCEQGE-LBPRGKRZSA-N -1 3 342.403 2.080 20 30 EEEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)Nc1cccc(C#N)n1 ZINC001603727745 1350751873 /nfs/dbraw/zinc/75/18/73/1350751873.db2.gz NIBHSDOANPVTAW-NSHDSACASA-N -1 3 348.370 2.358 20 30 EEEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)Nc1cccc(C#N)n1 ZINC001603727745 1350751875 /nfs/dbraw/zinc/75/18/75/1350751875.db2.gz NIBHSDOANPVTAW-NSHDSACASA-N -1 3 348.370 2.358 20 30 EEEDHM CC[C@H](C)[C@H](C)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603999318 1350825875 /nfs/dbraw/zinc/82/58/75/1350825875.db2.gz WHLYKAIMKVBSOT-HUBLWGQQSA-N -1 3 326.404 2.100 20 30 EEEDHM CCCCCCCNC(=O)C(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1 ZINC001604175766 1350883530 /nfs/dbraw/zinc/88/35/30/1350883530.db2.gz DFSXECDCFHHARB-UHFFFAOYSA-N -1 3 344.419 2.200 20 30 EEEDHM CCCCCCCNC(=O)C(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001604175766 1350883533 /nfs/dbraw/zinc/88/35/33/1350883533.db2.gz DFSXECDCFHHARB-UHFFFAOYSA-N -1 3 344.419 2.200 20 30 EEEDHM C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001604466748 1350943474 /nfs/dbraw/zinc/94/34/74/1350943474.db2.gz BBKVGSVWSSWYIS-SWLSCSKDSA-N -1 3 325.372 2.246 20 30 EEEDHM CN(C(=O)c1cc(-c2nnn[n-]2)ccn1)c1ccc(C#N)c(Cl)c1 ZINC001604651010 1350977392 /nfs/dbraw/zinc/97/73/92/1350977392.db2.gz ZXQKUGZCDMRJBO-UHFFFAOYSA-N -1 3 339.746 2.063 20 30 EEEDHM CN(C(=O)c1cc(-c2nn[n-]n2)ccn1)c1ccc(C#N)c(Cl)c1 ZINC001604651010 1350977395 /nfs/dbraw/zinc/97/73/95/1350977395.db2.gz ZXQKUGZCDMRJBO-UHFFFAOYSA-N -1 3 339.746 2.063 20 30 EEEDHM COc1ccc2ncc(-c3nnn[n-]3)c(N3CCC[C@@H](C#N)C3)c2c1 ZINC001605312193 1351133536 /nfs/dbraw/zinc/13/35/36/1351133536.db2.gz YGWFQHJRPASAFF-NSHDSACASA-N -1 3 335.371 2.163 20 30 EEEDHM COc1ccc2ncc(-c3nn[n-]n3)c(N3CCC[C@@H](C#N)C3)c2c1 ZINC001605312193 1351133537 /nfs/dbraw/zinc/13/35/37/1351133537.db2.gz YGWFQHJRPASAFF-NSHDSACASA-N -1 3 335.371 2.163 20 30 EEEDHM Cc1csc(NC(=O)c2ccc(-c3nnn[n-]3)c(C)n2)c1C#N ZINC001606007225 1351262581 /nfs/dbraw/zinc/26/25/81/1351262581.db2.gz MUDLANRTFWMRIS-UHFFFAOYSA-N -1 3 325.357 2.064 20 30 EEEDHM Cc1csc(NC(=O)c2ccc(-c3nn[n-]n3)c(C)n2)c1C#N ZINC001606007225 1351262582 /nfs/dbraw/zinc/26/25/82/1351262582.db2.gz MUDLANRTFWMRIS-UHFFFAOYSA-N -1 3 325.357 2.064 20 30 EEEDHM O=[S@@]1CCCC(N=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC001607076172 1351407176 /nfs/dbraw/zinc/40/71/76/1351407176.db2.gz HHENGTBVHPANSF-JOCHJYFZSA-N -1 3 338.824 2.221 20 30 EEEDHM O=[S@@]1CCCC(N=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC001607076172 1351407177 /nfs/dbraw/zinc/40/71/77/1351407177.db2.gz HHENGTBVHPANSF-JOCHJYFZSA-N -1 3 338.824 2.221 20 30 EEEDHM C=CC1CCN(c2nnc(-c3cnc[n-]c3=O)n2CC(C)C)CC1 ZINC001357998543 1373223048 /nfs/dbraw/zinc/22/30/48/1373223048.db2.gz FBOCXIODCYKSCE-UHFFFAOYSA-N -1 3 328.420 2.499 20 30 EEEDHM C=C(Br)CN[C@H](CNC(=O)c1ncccc1[O-])C(C)C ZINC001374419173 1376798230 /nfs/dbraw/zinc/79/82/30/1376798230.db2.gz MQTAGFVBJFOPOC-LLVKDONJSA-N -1 3 342.237 2.040 20 30 EEEDHM COc1cc(C#N)ccc1CN1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001579888904 1403791942 /nfs/dbraw/zinc/79/19/42/1403791942.db2.gz VAOCUVOFDAVMNC-UHFFFAOYSA-N -1 3 332.367 2.263 20 30 EEEDHM COc1cc(C#N)ccc1CN1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001579888904 1403791951 /nfs/dbraw/zinc/79/19/51/1403791951.db2.gz VAOCUVOFDAVMNC-UHFFFAOYSA-N -1 3 332.367 2.263 20 30 EEEDHM COc1cc(OCc2cccc(C#N)c2F)ccc1-c1nnn[n-]1 ZINC001591552703 1403927171 /nfs/dbraw/zinc/92/71/71/1403927171.db2.gz IBMLZMHFLXPXIX-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM COc1cc(OCc2cccc(C#N)c2F)ccc1-c1nn[n-]n1 ZINC001591552703 1403927181 /nfs/dbraw/zinc/92/71/81/1403927181.db2.gz IBMLZMHFLXPXIX-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM N#C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccccc1 ZINC001592669390 1404710765 /nfs/dbraw/zinc/71/07/65/1404710765.db2.gz RCFSFTCCIYEIMW-MRXNPFEDSA-N -1 3 333.351 2.292 20 30 EEEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccccc1 ZINC001592669390 1404710771 /nfs/dbraw/zinc/71/07/71/1404710771.db2.gz RCFSFTCCIYEIMW-MRXNPFEDSA-N -1 3 333.351 2.292 20 30 EEEDHM N#CC1(COC(=O)c2ccc(Br)cc2-c2nnn[n-]2)CC1 ZINC001592668852 1404710961 /nfs/dbraw/zinc/71/09/61/1404710961.db2.gz AOYQQSBXGMEAHW-UHFFFAOYSA-N -1 3 348.160 2.090 20 30 EEEDHM N#CC1(COC(=O)c2ccc(Br)cc2-c2nn[n-]n2)CC1 ZINC001592668852 1404710966 /nfs/dbraw/zinc/71/09/66/1404710966.db2.gz AOYQQSBXGMEAHW-UHFFFAOYSA-N -1 3 348.160 2.090 20 30 EEEDHM N#CCC1(COC(=O)C2(c3cc(F)cc(-c4nnn[n-]4)c3)CC2)CC1 ZINC001592675828 1404711413 /nfs/dbraw/zinc/71/14/13/1404711413.db2.gz WHIUPLXXDOHFMJ-UHFFFAOYSA-N -1 3 341.346 2.274 20 30 EEEDHM N#CCC1(COC(=O)C2(c3cc(F)cc(-c4nn[n-]n4)c3)CC2)CC1 ZINC001592675828 1404711416 /nfs/dbraw/zinc/71/14/16/1404711416.db2.gz WHIUPLXXDOHFMJ-UHFFFAOYSA-N -1 3 341.346 2.274 20 30 EEEDHM N#C[C@@]1(C(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)CCCOC1 ZINC001606340434 1404798833 /nfs/dbraw/zinc/79/88/33/1404798833.db2.gz OZDSEDKLHDCROJ-KRWDZBQOSA-N -1 3 338.371 2.003 20 30 EEEDHM N#C[C@@]1(C(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)CCCOC1 ZINC001606340434 1404798838 /nfs/dbraw/zinc/79/88/38/1404798838.db2.gz OZDSEDKLHDCROJ-KRWDZBQOSA-N -1 3 338.371 2.003 20 30 EEEDHM N#C[C@]1(C(=O)N2Cc3cccc(-c4nnn[n-]4)c3C2)CC12CCCC2 ZINC001606340495 1404798858 /nfs/dbraw/zinc/79/88/58/1404798858.db2.gz RKGYJMCFOWWSKH-SFHVURJKSA-N -1 3 334.383 2.183 20 30 EEEDHM N#C[C@]1(C(=O)N2Cc3cccc(-c4nn[n-]n4)c3C2)CC12CCCC2 ZINC001606340495 1404798865 /nfs/dbraw/zinc/79/88/65/1404798865.db2.gz RKGYJMCFOWWSKH-SFHVURJKSA-N -1 3 334.383 2.183 20 30 EEEDHM C=CCC(C)(C)C(=O)N(C)[C@@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001756029863 1408090956 /nfs/dbraw/zinc/09/09/56/1408090956.db2.gz OSNFGOHPNSQALH-LBPRGKRZSA-N -1 3 343.431 2.137 20 30 EEEDHM C=C(C)C(C)(C)C(=O)NC[C@H](CCCC)NC(=O)c1cnc[n-]c1=O ZINC001756113028 1408146765 /nfs/dbraw/zinc/14/67/65/1408146765.db2.gz NQQUWIYYNAJDLN-ZDUSSCGKSA-N -1 3 348.447 2.189 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N[C@H](CNC(=O)c1cnc[n-]c1=O)C(C)(C)C ZINC001756719558 1409252435 /nfs/dbraw/zinc/25/24/35/1409252435.db2.gz SZIVNEDQSVCMJN-GXTWGEPZSA-N -1 3 348.447 2.045 20 30 EEEDHM CC(C)(C)[C@H](CNc1ccncc1C#N)NC(=O)c1ccccc1[O-] ZINC001125804412 761642331 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C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1=C(C)OCCC1 ZINC000823909528 607888393 /nfs/dbraw/zinc/88/83/93/607888393.db2.gz HVKWSBOHOQJDJZ-UHFFFAOYSA-N -1 3 339.399 2.466 20 30 EEEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(CC#N)cc1 ZINC000825957864 607970564 /nfs/dbraw/zinc/97/05/64/607970564.db2.gz IOGUYXOKRPUQEX-UHFFFAOYSA-N -1 3 332.367 2.205 20 30 EEEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(CC#N)cc1 ZINC000825957864 607970565 /nfs/dbraw/zinc/97/05/65/607970565.db2.gz IOGUYXOKRPUQEX-UHFFFAOYSA-N -1 3 332.367 2.205 20 30 EEEDHM CC(=NNC(=S)Nc1ccccn1)c1ccc(-c2nnn[n-]2)s1 ZINC000823953513 608094911 /nfs/dbraw/zinc/09/49/11/608094911.db2.gz DHRVFJRPNKQZRD-UHFFFAOYSA-N -1 3 344.429 2.034 20 30 EEEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2cccc3c2OCO3)n1 ZINC000826350292 608539144 /nfs/dbraw/zinc/53/91/44/608539144.db2.gz PLRYIRLMTYISAG-UHFFFAOYSA-N -1 3 343.734 2.090 20 30 EEEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2cccc3c2OCO3)n1 ZINC000826350292 608539146 /nfs/dbraw/zinc/53/91/46/608539146.db2.gz 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EEEDHM C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001273707003 1283763297 /nfs/dbraw/zinc/76/32/97/1283763297.db2.gz NCGZQPHYGPVDNY-LJQANCHMSA-N -1 3 344.411 2.233 20 30 EEEDHM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cn(C)c1=O ZINC001196712857 1284214291 /nfs/dbraw/zinc/21/42/91/1284214291.db2.gz BMKWTGLUAKTREU-UHFFFAOYSA-N -1 3 337.788 2.020 20 30 EEEDHM N#Cc1cncc(NC[C@H]2CC[C@H](NC(=O)c3ccccc3[O-])C2)n1 ZINC001069433929 1285746647 /nfs/dbraw/zinc/74/66/47/1285746647.db2.gz LRQPZHRXZVINRN-STQMWFEESA-N -1 3 337.383 2.064 20 30 EEEDHM C[C@H]1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)[C@@H](n2cncn2)C1 ZINC000794496394 1296137109 /nfs/dbraw/zinc/13/71/09/1296137109.db2.gz HMVHZILFUHFYCG-BBRMVZONSA-N -1 3 347.444 2.115 20 30 EEEDHM C=C(C)CCN1CCO[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@@H]21 ZINC001074176980 1297916929 /nfs/dbraw/zinc/91/69/29/1297916929.db2.gz DLSNNBMPBHQRJM-WMZOPIPTSA-N -1 3 330.428 2.274 20 30 EEEDHM C[C@](N)(Cc1ccc(F)cc1)C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001219068511 1297924627 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EEEDHM C=CC(C)(C)C(=O)N[C@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588478232 1348908346 /nfs/dbraw/zinc/90/83/46/1348908346.db2.gz ZJOQZIATELDSIJ-SNVBAGLBSA-N -1 3 332.383 2.135 20 30 EEEDHM C=CC(C)(C)CNC(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001588487967 1348909348 /nfs/dbraw/zinc/90/93/48/1348909348.db2.gz CLJOGYNRTJUYKB-UHFFFAOYSA-N -1 3 329.379 2.366 20 30 EEEDHM C=CC(C)(C)CNC(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001588487967 1348909351 /nfs/dbraw/zinc/90/93/51/1348909351.db2.gz CLJOGYNRTJUYKB-UHFFFAOYSA-N -1 3 329.379 2.366 20 30 EEEDHM C=C[C@](C)(CC)C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001588495412 1348910231 /nfs/dbraw/zinc/91/02/31/1348910231.db2.gz DRKWQQXQOISLND-CQSZACIVSA-N -1 3 335.389 2.012 20 30 EEEDHM C=C[C@](C)(CC)C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001588495412 1348910234 /nfs/dbraw/zinc/91/02/34/1348910234.db2.gz DRKWQQXQOISLND-CQSZACIVSA-N -1 3 335.389 2.012 20 30 EEEDHM C=C[C@H](CC)CC(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588518727 1348911418 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C=CC[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)cc(N(C)C)c2)C1 ZINC001588560302 1348916400 /nfs/dbraw/zinc/91/64/00/1348916400.db2.gz PCESUKWZNPXKPM-ZDUSSCGKSA-N -1 3 340.431 2.361 20 30 EEEDHM C=CC[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)cc(N(C)C)c2)C1 ZINC001588560302 1348916403 /nfs/dbraw/zinc/91/64/03/1348916403.db2.gz PCESUKWZNPXKPM-ZDUSSCGKSA-N -1 3 340.431 2.361 20 30 EEEDHM C=CC[C@@H]1CCCN(C(=O)Nc2cc(C)c(-c3nnn[n-]3)cn2)C1 ZINC001588560345 1348917157 /nfs/dbraw/zinc/91/71/57/1348917157.db2.gz PIKXAQIPLUMNAI-GFCCVEGCSA-N -1 3 327.392 2.390 20 30 EEEDHM C=CC[C@@H]1CCCN(C(=O)Nc2cc(C)c(-c3nn[n-]n3)cn2)C1 ZINC001588560345 1348917161 /nfs/dbraw/zinc/91/71/61/1348917161.db2.gz PIKXAQIPLUMNAI-GFCCVEGCSA-N -1 3 327.392 2.390 20 30 EEEDHM C=CCCC(C)(C)CNS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588577978 1348919789 /nfs/dbraw/zinc/91/97/89/1348919789.db2.gz SXFNMKSQANFBPC-UHFFFAOYSA-N -1 3 349.460 2.279 20 30 EEEDHM C=CCCC(C)(C)CNS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588577978 1348919790 /nfs/dbraw/zinc/91/97/90/1348919790.db2.gz SXFNMKSQANFBPC-UHFFFAOYSA-N -1 3 349.460 2.279 20 30 EEEDHM C=CCN(CC(=O)OCC)Cc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588627615 1348924068 /nfs/dbraw/zinc/92/40/68/1348924068.db2.gz BWHFRFSJRDFUPG-UHFFFAOYSA-N -1 3 335.795 2.071 20 30 EEEDHM C=CCN(CC(=O)OCC)Cc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588627615 1348924070 /nfs/dbraw/zinc/92/40/70/1348924070.db2.gz BWHFRFSJRDFUPG-UHFFFAOYSA-N -1 3 335.795 2.071 20 30 EEEDHM C=CCNC(=O)c1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1 ZINC001588664389 1348928268 /nfs/dbraw/zinc/92/82/68/1348928268.db2.gz YIHBYKNWOFIYBR-UHFFFAOYSA-N -1 3 340.412 2.456 20 30 EEEDHM C=CCNC(=O)c1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1 ZINC001588664389 1348928271 /nfs/dbraw/zinc/92/82/71/1348928271.db2.gz YIHBYKNWOFIYBR-UHFFFAOYSA-N -1 3 340.412 2.456 20 30 EEEDHM C=CCn1c(C(C)C)nnc1N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001588705091 1348929862 /nfs/dbraw/zinc/92/98/62/1348929862.db2.gz RORYSMHFQZSMSM-UHFFFAOYSA-N -1 3 336.403 2.288 20 30 EEEDHM C=CCn1c(C(C)C)nnc1N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001588705091 1348929863 /nfs/dbraw/zinc/92/98/63/1348929863.db2.gz RORYSMHFQZSMSM-UHFFFAOYSA-N -1 3 336.403 2.288 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588725409 1348930955 /nfs/dbraw/zinc/93/09/55/1348930955.db2.gz DCIAOELYMFMXRA-GWCFXTLKSA-N -1 3 348.794 2.233 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588725409 1348930959 /nfs/dbraw/zinc/93/09/59/1348930959.db2.gz DCIAOELYMFMXRA-GWCFXTLKSA-N -1 3 348.794 2.233 20 30 EEEDHM CC(C)(C#N)CCOC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001589033551 1348953913 /nfs/dbraw/zinc/95/39/13/1348953913.db2.gz HILYWHGCGVTMCS-UHFFFAOYSA-N -1 3 325.372 2.381 20 30 EEEDHM CC(C)(C#N)CCOC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001589033551 1348953916 /nfs/dbraw/zinc/95/39/16/1348953916.db2.gz HILYWHGCGVTMCS-UHFFFAOYSA-N -1 3 325.372 2.381 20 30 EEEDHM C[C@@]1(C#N)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001590053803 1349133518 /nfs/dbraw/zinc/13/35/18/1349133518.db2.gz FZWGDFFEUUAJKF-AWEZNQCLSA-N -1 3 331.767 2.288 20 30 EEEDHM C[C@@]1(C#N)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001590053803 1349133523 /nfs/dbraw/zinc/13/35/23/1349133523.db2.gz FZWGDFFEUUAJKF-AWEZNQCLSA-N -1 3 331.767 2.288 20 30 EEEDHM CC[C@H](C#N)OC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC001590368083 1349287304 /nfs/dbraw/zinc/28/73/04/1349287304.db2.gz UUFYYDCMIWEVLH-LLVKDONJSA-N -1 3 346.416 2.124 20 30 EEEDHM CC[C@H](C#N)OC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC001590368083 1349287312 /nfs/dbraw/zinc/28/73/12/1349287312.db2.gz UUFYYDCMIWEVLH-LLVKDONJSA-N -1 3 346.416 2.124 20 30 EEEDHM CNc1ccc(C#N)cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001591225498 1349450121 /nfs/dbraw/zinc/45/01/21/1349450121.db2.gz UKFJRTVXJUYDBI-VQHVLOKHSA-N -1 3 345.366 2.432 20 30 EEEDHM CNc1ccc(C#N)cc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001591225498 1349450127 /nfs/dbraw/zinc/45/01/27/1349450127.db2.gz UKFJRTVXJUYDBI-VQHVLOKHSA-N -1 3 345.366 2.432 20 30 EEEDHM Cc1cc(C(=O)OCC#CC2CCCCC2)ncc1-c1nnn[n-]1 ZINC001591936381 1349560690 /nfs/dbraw/zinc/56/06/90/1349560690.db2.gz QHWKNWWNHWAFPY-UHFFFAOYSA-N -1 3 325.372 2.311 20 30 EEEDHM Cc1cc(C(=O)OCC#CC2CCCCC2)ncc1-c1nn[n-]n1 ZINC001591936381 1349560694 /nfs/dbraw/zinc/56/06/94/1349560694.db2.gz QHWKNWWNHWAFPY-UHFFFAOYSA-N -1 3 325.372 2.311 20 30 EEEDHM Cc1cc(N2CCC(C)(C#N)CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592000521 1349581792 /nfs/dbraw/zinc/58/17/92/1349581792.db2.gz UUEPIAWKCOBFMV-UHFFFAOYSA-N -1 3 327.348 2.213 20 30 EEEDHM Cc1cc(N2CCC(C)(C#N)CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592000521 1349581793 /nfs/dbraw/zinc/58/17/93/1349581793.db2.gz UUEPIAWKCOBFMV-UHFFFAOYSA-N -1 3 327.348 2.213 20 30 EEEDHM Cc1ccc(C(=O)OCCOc2ccccc2-c2nnn[n-]2)cc1C#N ZINC001592130636 1349594237 /nfs/dbraw/zinc/59/42/37/1349594237.db2.gz DRMVEHWEWFTNAO-UHFFFAOYSA-N -1 3 349.350 2.283 20 30 EEEDHM Cc1ccc(C(=O)OCCOc2ccccc2-c2nn[n-]n2)cc1C#N ZINC001592130636 1349594242 /nfs/dbraw/zinc/59/42/42/1349594242.db2.gz DRMVEHWEWFTNAO-UHFFFAOYSA-N -1 3 349.350 2.283 20 30 EEEDHM Cc1cncc(CCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC001592298721 1349617844 /nfs/dbraw/zinc/61/78/44/1349617844.db2.gz JEWLUUYQBLMITO-UHFFFAOYSA-N -1 3 333.355 2.013 20 30 EEEDHM Cc1cncc(CCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC001592298721 1349617846 /nfs/dbraw/zinc/61/78/46/1349617846.db2.gz JEWLUUYQBLMITO-UHFFFAOYSA-N -1 3 333.355 2.013 20 30 EEEDHM N#C[C@H]1CCC[C@@H](OC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC001592672106 1349703684 /nfs/dbraw/zinc/70/36/84/1349703684.db2.gz CBVQRJFAUORYLL-WCBMZHEXSA-N -1 3 333.298 2.384 20 30 EEEDHM N#C[C@H]1CCC[C@@H](OC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001592672106 1349703689 /nfs/dbraw/zinc/70/36/89/1349703689.db2.gz CBVQRJFAUORYLL-WCBMZHEXSA-N -1 3 333.298 2.384 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1Oc1cc(C=O)ccc1[N+](=O)[O-] ZINC001592700830 1349709009 /nfs/dbraw/zinc/70/90/09/1349709009.db2.gz XYXZBZAUOVVYOI-UHFFFAOYSA-N -1 3 336.267 2.251 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1Oc1cc(C=O)ccc1[N+](=O)[O-] ZINC001592700830 1349709012 /nfs/dbraw/zinc/70/90/12/1349709012.db2.gz XYXZBZAUOVVYOI-UHFFFAOYSA-N -1 3 336.267 2.251 20 30 EEEDHM C#CC(C)(C)N(C)Cc1cc(-c2nnn[n-]2)ccc1Br ZINC001602689352 1350573254 /nfs/dbraw/zinc/57/32/54/1350573254.db2.gz DRQQWXZJYSCQSH-UHFFFAOYSA-N -1 3 334.221 2.473 20 30 EEEDHM C#CC(C)(C)N(C)Cc1cc(-c2nn[n-]n2)ccc1Br ZINC001602689352 1350573260 /nfs/dbraw/zinc/57/32/60/1350573260.db2.gz DRQQWXZJYSCQSH-UHFFFAOYSA-N -1 3 334.221 2.473 20 30 EEEDHM C#CCOc1ccc(COC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001602731751 1350577505 /nfs/dbraw/zinc/57/75/05/1350577505.db2.gz CUIBKBSKLUPCFJ-UHFFFAOYSA-N -1 3 334.335 2.236 20 30 EEEDHM C#CCOc1ccc(COC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001602731751 1350577508 /nfs/dbraw/zinc/57/75/08/1350577508.db2.gz CUIBKBSKLUPCFJ-UHFFFAOYSA-N -1 3 334.335 2.236 20 30 EEEDHM C=C[C@](C)(CC)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001602789901 1350586810 /nfs/dbraw/zinc/58/68/10/1350586810.db2.gz AWHXLRZAKRUKOA-GOSISDBHSA-N -1 3 340.431 2.118 20 30 EEEDHM C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001602788267 1350586982 /nfs/dbraw/zinc/58/69/82/1350586982.db2.gz GLDCBRYSCJEARZ-AAEUAGOBSA-N -1 3 339.823 2.247 20 30 EEEDHM C=CCN(CCC#N)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC001602852557 1350596477 /nfs/dbraw/zinc/59/64/77/1350596477.db2.gz XGEFLHUHDUYZJI-UHFFFAOYSA-N -1 3 334.330 2.370 20 30 EEEDHM C=CCN(CCC#N)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC001602852557 1350596482 /nfs/dbraw/zinc/59/64/82/1350596482.db2.gz XGEFLHUHDUYZJI-UHFFFAOYSA-N -1 3 334.330 2.370 20 30 EEEDHM CC(C)(NC(=O)NCC1(C#N)CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC001603162264 1350653944 /nfs/dbraw/zinc/65/39/44/1350653944.db2.gz XVWQVZWOJMCRLH-UHFFFAOYSA-N -1 3 339.403 2.095 20 30 EEEDHM CC(C)(NC(=O)NCC1(C#N)CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC001603162264 1350653949 /nfs/dbraw/zinc/65/39/49/1350653949.db2.gz XVWQVZWOJMCRLH-UHFFFAOYSA-N -1 3 339.403 2.095 20 30 EEEDHM CC(C)C#CC(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001603189528 1350659124 /nfs/dbraw/zinc/65/91/24/1350659124.db2.gz ODMKGLRRZSRSOO-ZDUSSCGKSA-N -1 3 337.305 2.246 20 30 EEEDHM CC(C)C#CC(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001603189528 1350659130 /nfs/dbraw/zinc/65/91/30/1350659130.db2.gz ODMKGLRRZSRSOO-ZDUSSCGKSA-N -1 3 337.305 2.246 20 30 EEEDHM CC(C)CCCCNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603279619 1350678570 /nfs/dbraw/zinc/67/85/70/1350678570.db2.gz SMCQIEVDKJRTIK-MRXNPFEDSA-N -1 3 340.431 2.491 20 30 EEEDHM CC(C)CN(C(=O)c1ccnc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001603288620 1350680714 /nfs/dbraw/zinc/68/07/14/1350680714.db2.gz ZUMININLLHFTTE-UHFFFAOYSA-N -1 3 347.382 2.436 20 30 EEEDHM CC(C)CN(C(=O)c1ccnc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603288620 1350680718 /nfs/dbraw/zinc/68/07/18/1350680718.db2.gz ZUMININLLHFTTE-UHFFFAOYSA-N -1 3 347.382 2.436 20 30 EEEDHM C[C@H](CN=Nc1ccc(-c2nnn[n-]2)cc1)CNC(=O)OC(C)(C)C ZINC001603436351 1350705486 /nfs/dbraw/zinc/70/54/86/1350705486.db2.gz KGWQJWNZZPZHCN-NSHDSACASA-N -1 3 345.407 2.425 20 30 EEEDHM C[C@H](CN=Nc1ccc(-c2nn[n-]n2)cc1)CNC(=O)OC(C)(C)C ZINC001603436351 1350705489 /nfs/dbraw/zinc/70/54/89/1350705489.db2.gz KGWQJWNZZPZHCN-NSHDSACASA-N -1 3 345.407 2.425 20 30 EEEDHM C[C@@H](CCO)C1(CNc2c(C#N)cccc2-c2nnn[n-]2)CCC1 ZINC001603496023 1350712352 /nfs/dbraw/zinc/71/23/52/1350712352.db2.gz ZWMHYNSEIURHGL-LBPRGKRZSA-N -1 3 326.404 2.339 20 30 EEEDHM C[C@@H](CCO)C1(CNc2c(C#N)cccc2-c2nn[n-]n2)CCC1 ZINC001603496023 1350712355 /nfs/dbraw/zinc/71/23/55/1350712355.db2.gz ZWMHYNSEIURHGL-LBPRGKRZSA-N -1 3 326.404 2.339 20 30 EEEDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ncc(C#N)cc2C)s1 ZINC001604510532 1350952385 /nfs/dbraw/zinc/95/23/85/1350952385.db2.gz QHKVCXUOPBBSRF-UHFFFAOYSA-N -1 3 339.384 2.318 20 30 EEEDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ncc(C#N)cc2C)s1 ZINC001604510532 1350952386 /nfs/dbraw/zinc/95/23/86/1350952386.db2.gz QHKVCXUOPBBSRF-UHFFFAOYSA-N -1 3 339.384 2.318 20 30 EEEDHM Cc1csc(NC(=O)c2cc(C)c(C#N)cn2)c1-c1nnn[n-]1 ZINC001605629073 1351204695 /nfs/dbraw/zinc/20/46/95/1351204695.db2.gz BSMDHJDBGJKRFA-UHFFFAOYSA-N -1 3 325.357 2.064 20 30 EEEDHM Cc1csc(NC(=O)c2cc(C)c(C#N)cn2)c1-c1nn[n-]n1 ZINC001605629073 1351204698 /nfs/dbraw/zinc/20/46/98/1351204698.db2.gz BSMDHJDBGJKRFA-UHFFFAOYSA-N -1 3 325.357 2.064 20 30 EEEDHM Cc1ccc(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC001605824921 1351229361 /nfs/dbraw/zinc/22/93/61/1351229361.db2.gz HLLZUJUDIPHDAF-UHFFFAOYSA-N -1 3 347.334 2.087 20 30 EEEDHM Cc1ccc(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC001605824921 1351229363 /nfs/dbraw/zinc/22/93/63/1351229363.db2.gz HLLZUJUDIPHDAF-UHFFFAOYSA-N -1 3 347.334 2.087 20 30 EEEDHM Cc1cccc(CNC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001605914759 1351253330 /nfs/dbraw/zinc/25/33/30/1351253330.db2.gz SWJNKTKMJJMOKW-KRWDZBQOSA-N -1 3 346.394 2.174 20 30 EEEDHM N#CC1CCC(Cn2cc(-c3ccc(-c4nnn[n-]4)cc3)nn2)CC1 ZINC001606344141 1351294915 /nfs/dbraw/zinc/29/49/15/1351294915.db2.gz GNHFTSGVMTYWBL-UHFFFAOYSA-N -1 3 334.387 2.455 20 30 EEEDHM N#CC1CCC(Cn2cc(-c3ccc(-c4nn[n-]n4)cc3)nn2)CC1 ZINC001606344141 1351294919 /nfs/dbraw/zinc/29/49/19/1351294919.db2.gz GNHFTSGVMTYWBL-UHFFFAOYSA-N -1 3 334.387 2.455 20 30 EEEDHM N#CCCN(Cc1ccco1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001606349393 1351296535 /nfs/dbraw/zinc/29/65/35/1351296535.db2.gz MGFOLIYEWROMLB-UHFFFAOYSA-N -1 3 337.343 2.407 20 30 EEEDHM N#CCCN(Cc1ccco1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001606349393 1351296538 /nfs/dbraw/zinc/29/65/38/1351296538.db2.gz MGFOLIYEWROMLB-UHFFFAOYSA-N -1 3 337.343 2.407 20 30 EEEDHM N#Cc1nc(N)n(CCCCc2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC001606388750 1351300476 /nfs/dbraw/zinc/30/04/76/1351300476.db2.gz DWNHJOZSHONBLN-UHFFFAOYSA-N -1 3 342.794 2.193 20 30 EEEDHM N#Cc1nc(N)n(CCCCc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC001606388750 1351300478 /nfs/dbraw/zinc/30/04/78/1351300478.db2.gz DWNHJOZSHONBLN-UHFFFAOYSA-N -1 3 342.794 2.193 20 30 EEEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cccc(-n2ccnn2)c1 ZINC001606482019 1351308152 /nfs/dbraw/zinc/30/81/52/1351308152.db2.gz HIKKYNJSSIPVII-SNAWJCMRSA-N -1 3 349.379 2.405 20 30 EEEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cccc(-n2ccnn2)c1 ZINC001606482019 1351308155 /nfs/dbraw/zinc/30/81/55/1351308155.db2.gz HIKKYNJSSIPVII-SNAWJCMRSA-N -1 3 349.379 2.405 20 30 EEEDHM N#CCOc1ccc(NC(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1 ZINC001622770860 1352388698 /nfs/dbraw/zinc/38/86/98/1352388698.db2.gz IXVALEMOMRGMPQ-UHFFFAOYSA-N -1 3 349.354 2.337 20 30 EEEDHM N#CCOc1ccc(NC(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1 ZINC001622770860 1352388699 /nfs/dbraw/zinc/38/86/99/1352388699.db2.gz IXVALEMOMRGMPQ-UHFFFAOYSA-N -1 3 349.354 2.337 20 30 EEEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2n[nH]cc2C)c(C)c1[O-] ZINC001195901565 1368575874 /nfs/dbraw/zinc/57/58/74/1368575874.db2.gz YMBXBSMZLVQNEF-UHFFFAOYSA-N -1 3 328.328 2.033 20 30 EEEDHM C#CC1([N-]S(=O)(=O)c2ccc(Cl)nc2OC)CCCCC1 ZINC001198730342 1368641438 /nfs/dbraw/zinc/64/14/38/1368641438.db2.gz HLXZTFKJLXJCOS-UHFFFAOYSA-N -1 3 328.821 2.358 20 30 EEEDHM COCCn1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)n1 ZINC000784491486 1371410767 /nfs/dbraw/zinc/41/07/67/1371410767.db2.gz SYEDTSRRSYQGRB-NSHDSACASA-N -1 3 346.774 2.144 20 30 EEEDHM C=CCOC[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)C(=O)OC ZINC000797761825 1371545062 /nfs/dbraw/zinc/54/50/62/1371545062.db2.gz JFGCCDISWZCJDU-LBPRGKRZSA-N -1 3 347.745 2.292 20 30 EEEDHM CNC(=O)c1ccc(CN(C)[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000831011832 1372361663 /nfs/dbraw/zinc/36/16/63/1372361663.db2.gz USVAODJKBQBZIX-QGZVFWFLSA-N -1 3 337.379 2.176 20 30 EEEDHM Cc1c(-c2ccc(C3CC3)c(-c3nn[n-]n3)c2)cc(C#N)c(=O)n1C ZINC001591794923 1403950466 /nfs/dbraw/zinc/95/04/66/1403950466.db2.gz RTCVTPHXCVTZPF-UHFFFAOYSA-N -1 3 332.367 2.290 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C=NNC1C[C@H](C)O[C@@H](C)C1 ZINC001591840087 1403955416 /nfs/dbraw/zinc/95/54/16/1403955416.db2.gz TXDMKUTZRCMYBV-STQMWFEESA-N -1 3 328.420 2.363 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C=NNC1C[C@H](C)O[C@@H](C)C1 ZINC001591840087 1403955423 /nfs/dbraw/zinc/95/54/23/1403955423.db2.gz TXDMKUTZRCMYBV-STQMWFEESA-N -1 3 328.420 2.363 20 30 EEEDHM Cc1ccc(CNC(=O)NCC2(C#N)CCCC2)cc1-c1nnn[n-]1 ZINC001592158337 1404011216 /nfs/dbraw/zinc/01/12/16/1404011216.db2.gz JNBCRNWPGKETQU-UHFFFAOYSA-N -1 3 339.403 2.058 20 30 EEEDHM Cc1ccc(CNC(=O)NCC2(C#N)CCCC2)cc1-c1nn[n-]n1 ZINC001592158337 1404011225 /nfs/dbraw/zinc/01/12/25/1404011225.db2.gz JNBCRNWPGKETQU-UHFFFAOYSA-N -1 3 339.403 2.058 20 30 EEEDHM N#CC1(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Br)c2)CC1 ZINC001592667605 1404707404 /nfs/dbraw/zinc/70/74/04/1404707404.db2.gz ZSOQHFYRKWWXIU-UHFFFAOYSA-N -1 3 347.176 2.262 20 30 EEEDHM N#CC1(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Br)c2)CC1 ZINC001592667605 1404707413 /nfs/dbraw/zinc/70/74/13/1404707413.db2.gz ZSOQHFYRKWWXIU-UHFFFAOYSA-N -1 3 347.176 2.262 20 30 EEEDHM N#CC1(CC(=O)NCc2ccc(-c3nnn[n-]3)s2)CCCCC1 ZINC001592666108 1404708253 /nfs/dbraw/zinc/70/82/53/1404708253.db2.gz AMUQTQJPCUZMPE-UHFFFAOYSA-N -1 3 330.417 2.409 20 30 EEEDHM N#CC[C@@H]1CCCN(c2nc(Br)ccc2-c2nnn[n-]2)C1 ZINC001592673313 1404709476 /nfs/dbraw/zinc/70/94/76/1404709476.db2.gz DBBFHSZCIZOTIV-VIFPVBQESA-N -1 3 348.208 2.154 20 30 EEEDHM N#CC[C@@H]1CCCN(c2nc(Br)ccc2-c2nn[n-]n2)C1 ZINC001592673313 1404709482 /nfs/dbraw/zinc/70/94/82/1404709482.db2.gz DBBFHSZCIZOTIV-VIFPVBQESA-N -1 3 348.208 2.154 20 30 EEEDHM N#CC1(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)CCCCC1 ZINC001592669517 1404709637 /nfs/dbraw/zinc/70/96/37/1404709637.db2.gz XMKSTMASDMWLCF-CMDGGOBGSA-N -1 3 336.399 2.470 20 30 EEEDHM N#CC1(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)CCCCC1 ZINC001592669517 1404709645 /nfs/dbraw/zinc/70/96/45/1404709645.db2.gz XMKSTMASDMWLCF-CMDGGOBGSA-N -1 3 336.399 2.470 20 30 EEEDHM N#C[C@@]1(C(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)CC2CCC1CC2 ZINC001592669630 1404710224 /nfs/dbraw/zinc/71/02/24/1404710224.db2.gz QIPRTNMDODCBCN-ZXNWCJJNSA-N -1 3 348.410 2.429 20 30 EEEDHM N#C[C@@]1(C(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)CC2CCC1CC2 ZINC001592669630 1404710227 /nfs/dbraw/zinc/71/02/27/1404710227.db2.gz QIPRTNMDODCBCN-ZXNWCJJNSA-N -1 3 348.410 2.429 20 30 EEEDHM N#C[C@H]1CC[C@@H](Nc2cnn(Cc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC001592673305 1404710741 /nfs/dbraw/zinc/71/07/41/1404710741.db2.gz WZCYWGBINITSQC-DZGCQCFKSA-N -1 3 334.387 2.216 20 30 EEEDHM N#C[C@H]1CC[C@@H](Nc2cnn(Cc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC001592673305 1404710749 /nfs/dbraw/zinc/71/07/49/1404710749.db2.gz WZCYWGBINITSQC-DZGCQCFKSA-N -1 3 334.387 2.216 20 30 EEEDHM N#CCCCCCC(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC001592674620 1404711403 /nfs/dbraw/zinc/71/14/03/1404711403.db2.gz GYULJBFZEJSMSA-UHFFFAOYSA-N -1 3 329.360 2.263 20 30 EEEDHM N#CCCCCCC(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC001592674620 1404711406 /nfs/dbraw/zinc/71/14/06/1404711406.db2.gz GYULJBFZEJSMSA-UHFFFAOYSA-N -1 3 329.360 2.263 20 30 EEEDHM N#CC[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC001592674504 1404712294 /nfs/dbraw/zinc/71/22/94/1404712294.db2.gz DRQPFANMAOUUGF-INIZCTEOSA-N -1 3 343.350 2.374 20 30 EEEDHM N#CC[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC001592674504 1404712302 /nfs/dbraw/zinc/71/23/02/1404712302.db2.gz DRQPFANMAOUUGF-INIZCTEOSA-N -1 3 343.350 2.374 20 30 EEEDHM N#CCOc1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC001592678585 1404712375 /nfs/dbraw/zinc/71/23/75/1404712375.db2.gz CGWKLEVWNDBSTK-YHYXMXQVSA-N -1 3 346.350 2.421 20 30 EEEDHM N#CCOc1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC001592678585 1404712377 /nfs/dbraw/zinc/71/23/77/1404712377.db2.gz CGWKLEVWNDBSTK-YHYXMXQVSA-N -1 3 346.350 2.421 20 30 EEEDHM N#Cc1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC001592694116 1404716239 /nfs/dbraw/zinc/71/62/39/1404716239.db2.gz LAAGDKNTFRSDLC-UHFFFAOYSA-N -1 3 327.329 2.320 20 30 EEEDHM N#Cc1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC001592694116 1404716246 /nfs/dbraw/zinc/71/62/46/1404716246.db2.gz LAAGDKNTFRSDLC-UHFFFAOYSA-N -1 3 327.329 2.320 20 30 EEEDHM CC[C@@H](COCC(F)(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001645816481 1404859438 /nfs/dbraw/zinc/85/94/38/1404859438.db2.gz SIGVJAQEHDUJQB-VIFPVBQESA-N -1 3 336.335 2.083 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)N(C)CC[C@H](NC(=O)c1cn[n-]n1)C(C)C ZINC001756095603 1408134066 /nfs/dbraw/zinc/13/40/66/1408134066.db2.gz HKKHPICCOKKWML-GUYCJALGSA-N -1 3 335.452 2.010 20 30 EEEDHM CC#CCCCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001756578028 1409080485 /nfs/dbraw/zinc/08/04/85/1409080485.db2.gz WDSLLRVRHYBMHI-HUUCEWRRSA-N -1 3 328.412 2.305 20 30 EEEDHM C#CCC1(C(=O)NC2CC(N(C)C(=O)c3ccccc3[O-])C2)CCC1 ZINC001756732614 1409266076 /nfs/dbraw/zinc/26/60/76/1409266076.db2.gz ANALFALZXAGSAP-UHFFFAOYSA-N -1 3 340.423 2.305 20 30 EEEDHM C=CC(C)(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)CC(C)(C)C)n1 ZINC001757422369 1409705745 /nfs/dbraw/zinc/70/57/45/1409705745.db2.gz JAGQDSVKVUZHKG-UHFFFAOYSA-N -1 3 348.447 2.063 20 30 EEEDHM COc1cc(C(=O)/C=C\c2cn(Cc3cccnc3)nn2)ccc1[O-] ZINC000588425419 759809959 /nfs/dbraw/zinc/80/99/59/759809959.db2.gz UZJMHCOLTQVUOL-ALCCZGGFSA-N -1 3 336.351 2.332 20 30 EEEDHM CC(C)C[C@@H](CNc1cncc(C#N)n1)NC(=O)c1ccccc1[O-] ZINC001104897789 765526216 /nfs/dbraw/zinc/52/62/16/765526216.db2.gz MRTJIECYCFJJRD-ZDUSSCGKSA-N -1 3 339.399 2.310 20 30 EEEDHM CC(C)[C@H](CNC(=O)c1cnc[n-]c1=O)Nc1cccc(F)c1C#N ZINC001105238518 769422302 /nfs/dbraw/zinc/42/23/02/769422302.db2.gz CQCYRWXRORBREM-HNNXBMFYSA-N -1 3 343.362 2.059 20 30 EEEDHM C=CCn1cccc1C(=O)N[C@@H](C)CCNC(=O)c1ccccc1[O-] ZINC001075673842 781056563 /nfs/dbraw/zinc/05/65/63/781056563.db2.gz ZUNPLWCCPAUPJN-AWEZNQCLSA-N -1 3 341.411 2.318 20 30 EEEDHM O=C(CSCc1ccc(Cl)cc1)N[C@H]1CCCN([O-])C1=O ZINC000816753895 784240726 /nfs/dbraw/zinc/24/07/26/784240726.db2.gz RHCVRRYRIMGSPJ-LBPRGKRZSA-N -1 3 328.821 2.070 20 30 EEEDHM C#CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(-c2nnn[n-]2)s1 ZINC000819701592 785647520 /nfs/dbraw/zinc/64/75/20/785647520.db2.gz KBRBLYSYHSJORT-HNNXBMFYSA-N -1 3 336.380 2.128 20 30 EEEDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(C#N)c1 ZINC000821304547 786694438 /nfs/dbraw/zinc/69/44/38/786694438.db2.gz KKOCZSMTEOPSQW-UHFFFAOYSA-N -1 3 333.355 2.422 20 30 EEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cnn2c1CCC2 ZINC000822300033 787138814 /nfs/dbraw/zinc/13/88/14/787138814.db2.gz DPSZBUSAMTWZNS-UHFFFAOYSA-N -1 3 340.383 2.094 20 30 EEEDHM C=CCCC[C@H](C)N[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000823894576 787984743 /nfs/dbraw/zinc/98/47/43/787984743.db2.gz UEJKBZVGGBKPGT-WFASDCNBSA-N -1 3 329.404 2.415 20 30 EEEDHM C=CCCC[C@H](C)N[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000823894576 787984749 /nfs/dbraw/zinc/98/47/49/787984749.db2.gz UEJKBZVGGBKPGT-WFASDCNBSA-N -1 3 329.404 2.415 20 30 EEEDHM CC(=O)Nc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)ccc1F ZINC000138858688 789821884 /nfs/dbraw/zinc/82/18/84/789821884.db2.gz RTYKIGOQDSTLMK-GFCCVEGCSA-N -1 3 340.314 2.140 20 30 EEEDHM C=C[C@H](C)ONC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000846545195 790227077 /nfs/dbraw/zinc/22/70/77/790227077.db2.gz UMDCQXDTDFCRCD-JTQLQIEISA-N -1 3 344.408 2.138 20 30 EEEDHM C=CCN1CC[C@@]2(NC(=O)c3n[n-]c4ccccc4c3=O)CCC[C@@H]12 ZINC000992271985 793463871 /nfs/dbraw/zinc/46/38/71/793463871.db2.gz OQOJVEKEJVGFTF-BEFAXECRSA-N -1 3 338.411 2.248 20 30 EEEDHM N#Cc1cccnc1NCCCNC(=O)c1c[n-]c2ccccc2c1=O ZINC001094883554 796912162 /nfs/dbraw/zinc/91/21/62/796912162.db2.gz CZADNKDVFVULCI-UHFFFAOYSA-N -1 3 347.378 2.027 20 30 EEEDHM C=CCOCC(=O)N1CCC[C@H](N(C)C(=O)c2ccccc2[O-])CC1 ZINC001078830663 797064059 /nfs/dbraw/zinc/06/40/59/797064059.db2.gz CKDNJCBIRVDTJI-HNNXBMFYSA-N -1 3 346.427 2.048 20 30 EEEDHM Cc1nn(CC(=O)Nc2ccc([O-])c(C#N)c2)cc1Br ZINC001177017387 798697644 /nfs/dbraw/zinc/69/76/44/798697644.db2.gz VQRZLZYZVPTKAL-UHFFFAOYSA-N -1 3 335.161 2.170 20 30 EEEDHM CN(c1ccc(C#N)nc1)[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001061171833 798735860 /nfs/dbraw/zinc/73/58/60/798735860.db2.gz ZRUCESOWOYZYPA-MRXNPFEDSA-N -1 3 336.395 2.400 20 30 EEEDHM C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc2sccc2c([O-])c1 ZINC000786140507 806694387 /nfs/dbraw/zinc/69/43/87/806694387.db2.gz 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C[C@@H](C#N)OCCOc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001609068416 1351830316 /nfs/dbraw/zinc/83/03/16/1351830316.db2.gz QXKPQAILNYEPJI-QMMMGPOBSA-N -1 3 327.266 2.193 20 30 EEEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccnc(C#N)c1 ZINC001609098688 1351842432 /nfs/dbraw/zinc/84/24/32/1351842432.db2.gz FCMIDDXFBDWNQW-UHFFFAOYSA-N -1 3 347.382 2.184 20 30 EEEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccnc(C#N)c1 ZINC001609098688 1351842434 /nfs/dbraw/zinc/84/24/34/1351842434.db2.gz FCMIDDXFBDWNQW-UHFFFAOYSA-N -1 3 347.382 2.184 20 30 EEEDHM C=CC[C@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)C(=O)OCC ZINC001325376430 1333875305 /nfs/dbraw/zinc/87/53/05/1333875305.db2.gz QEWLUTRWLHOXEI-HNNXBMFYSA-N -1 3 348.424 2.162 20 30 EEEDHM CCc1nc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cs1 ZINC001609254824 1351911649 /nfs/dbraw/zinc/91/16/49/1351911649.db2.gz FKULNQLVANEZNH-UHFFFAOYSA-N -1 3 344.429 2.027 20 30 EEEDHM CCc1nc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cs1 ZINC001609254824 1351911652 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C#CC[C@H]1CCCN(c2cccc(-n3cccn3)c2-c2nn[n-]n2)C1 ZINC001588337833 1348892014 /nfs/dbraw/zinc/89/20/14/1348892014.db2.gz XATUVKSZORUPEF-AWEZNQCLSA-N -1 3 333.399 2.292 20 30 EEEDHM C(=NNC[C@@H]1CCSC1)c1c[nH]c2cccc(-c3nnn[n-]3)c12 ZINC001588381670 1348899289 /nfs/dbraw/zinc/89/92/89/1348899289.db2.gz OKZGZLBBHHGPMP-JTQLQIEISA-N -1 3 327.417 2.025 20 30 EEEDHM C(=NNC[C@@H]1CCSC1)c1c[nH]c2cccc(-c3nn[n-]n3)c12 ZINC001588381670 1348899294 /nfs/dbraw/zinc/89/92/94/1348899294.db2.gz OKZGZLBBHHGPMP-JTQLQIEISA-N -1 3 327.417 2.025 20 30 EEEDHM C=C[C@](C)(CC)C(=O)NC[C@H](CC)Nc1ncccc1-c1nnn[n-]1 ZINC001588494504 1348910192 /nfs/dbraw/zinc/91/01/92/1348910192.db2.gz SRLMUUCIVBDARM-YVEFUNNKSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@](C)(CC)C(=O)NC[C@H](CC)Nc1ncccc1-c1nn[n-]n1 ZINC001588494504 1348910196 /nfs/dbraw/zinc/91/01/96/1348910196.db2.gz SRLMUUCIVBDARM-YVEFUNNKSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCC1(C(=O)OCc2ncc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001588556079 1348915640 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3 341.415 2.195 20 30 EEEDHM C=CCN1CC[C@@H](Sc2ccc(Cl)cc2-c2nnn[n-]2)C1=O ZINC001588657579 1348928353 /nfs/dbraw/zinc/92/83/53/1348928353.db2.gz QHKURZAZEQGXJG-GFCCVEGCSA-N -1 3 335.820 2.399 20 30 EEEDHM C=CCN1CC[C@@H](Sc2ccc(Cl)cc2-c2nn[n-]n2)C1=O ZINC001588657579 1348928358 /nfs/dbraw/zinc/92/83/58/1348928358.db2.gz QHKURZAZEQGXJG-GFCCVEGCSA-N -1 3 335.820 2.399 20 30 EEEDHM CC(C)(C(=O)OCC1(C#N)CC1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589062107 1348956655 /nfs/dbraw/zinc/95/66/55/1348956655.db2.gz URJLMJIQPCAURH-UHFFFAOYSA-N -1 3 329.335 2.130 20 30 EEEDHM CC(C)(C(=O)OCC1(C#N)CC1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589062107 1348956659 /nfs/dbraw/zinc/95/66/59/1348956659.db2.gz URJLMJIQPCAURH-UHFFFAOYSA-N -1 3 329.335 2.130 20 30 EEEDHM CC(C)(C)C#CC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC001589071855 1348956918 /nfs/dbraw/zinc/95/69/18/1348956918.db2.gz UVOLTWBIGWQVEQ-UHFFFAOYSA-N -1 3 343.456 2.266 20 30 EEEDHM CC(C)(C)C#CC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC001589071855 1348956922 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349.434 2.281 20 30 EEEDHM N#Cc1nccnc1NCC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001057473889 1243896599 /nfs/dbraw/zinc/89/65/99/1243896599.db2.gz PSPSHBFMBDQANB-UHFFFAOYSA-N -1 3 337.383 2.018 20 30 EEEDHM C#CCCCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001052470628 1247361379 /nfs/dbraw/zinc/36/13/79/1247361379.db2.gz GAAJDFOUOQVLTE-LSDHHAIUSA-N -1 3 328.412 2.020 20 30 EEEDHM C=CCN1CCN(C(=O)c2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001189762502 1280487424 /nfs/dbraw/zinc/48/74/24/1280487424.db2.gz JCEZTQYTIRMNGB-UHFFFAOYSA-N -1 3 330.306 2.235 20 30 EEEDHM CC(C)(Cc1cccnc1)[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190676485 1281015509 /nfs/dbraw/zinc/01/55/09/1281015509.db2.gz DKJQJJPBYYILHJ-UHFFFAOYSA-N -1 3 333.388 2.392 20 30 EEEDHM CSc1[n-]nc(NC(=O)c2cccc(C(C)(C)C#N)c2)c1C(N)=O ZINC001190920203 1281149980 /nfs/dbraw/zinc/14/99/80/1281149980.db2.gz RRTUTRDKNVDGAG-UHFFFAOYSA-N -1 3 343.412 2.284 20 30 EEEDHM CCC(C#N)(CC)[N-]S(=O)(=O)c1cccc(Br)n1 ZINC001196341860 1284012311 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EEEDHM C#CCCC[C@@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588342018 1348892136 /nfs/dbraw/zinc/89/21/36/1348892136.db2.gz UAILMVSUFYRUNT-OLZOCXBDSA-N -1 3 328.372 2.369 20 30 EEEDHM C#CCCC[C@@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588342018 1348892142 /nfs/dbraw/zinc/89/21/42/1348892142.db2.gz UAILMVSUFYRUNT-OLZOCXBDSA-N -1 3 328.372 2.369 20 30 EEEDHM C#CCN(C(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1)C(C)C ZINC001588348664 1348893313 /nfs/dbraw/zinc/89/33/13/1348893313.db2.gz GZTOGPMCWLBHNL-UHFFFAOYSA-N -1 3 336.355 2.006 20 30 EEEDHM C#CCN(C(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1)C(C)C ZINC001588348664 1348893318 /nfs/dbraw/zinc/89/33/18/1348893318.db2.gz GZTOGPMCWLBHNL-UHFFFAOYSA-N -1 3 336.355 2.006 20 30 EEEDHM C#CCCc1noc(-c2cc(-c3cccc(-c4nnn[n-]4)c3)no2)n1 ZINC001588347301 1348894408 /nfs/dbraw/zinc/89/44/08/1348894408.db2.gz NJUMHFKBOOBTJR-UHFFFAOYSA-N -1 3 333.311 2.138 20 30 EEEDHM C#CCCc1noc(-c2cc(-c3cccc(-c4nn[n-]n4)c3)no2)n1 ZINC001588347301 1348894413 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EEEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)OCCO2 ZINC001602908384 1350604058 /nfs/dbraw/zinc/60/40/58/1350604058.db2.gz VDIPFMHBBYLJGK-UHFFFAOYSA-N -1 3 336.355 2.474 20 30 EEEDHM CN(CCC(C)(C)C)C(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001604738624 1350994254 /nfs/dbraw/zinc/99/42/54/1350994254.db2.gz VSYGHMLKJKBRCT-HNNXBMFYSA-N -1 3 340.431 2.444 20 30 EEEDHM COc1ccc2ncc(-c3nnn[n-]3)c(N3CCC(C#N)CC3)c2c1 ZINC001605311648 1351133278 /nfs/dbraw/zinc/13/32/78/1351133278.db2.gz NIQAGXTUOSIEBC-UHFFFAOYSA-N -1 3 335.371 2.163 20 30 EEEDHM COc1ccc2ncc(-c3nn[n-]n3)c(N3CCC(C#N)CC3)c2c1 ZINC001605311648 1351133283 /nfs/dbraw/zinc/13/32/83/1351133283.db2.gz NIQAGXTUOSIEBC-UHFFFAOYSA-N -1 3 335.371 2.163 20 30 EEEDHM CSc1ccc(CNC(=O)NCCCCC#N)cc1-c1nnn[n-]1 ZINC001605385266 1351150276 /nfs/dbraw/zinc/15/02/76/1351150276.db2.gz KPQWZYMYRIWONQ-UHFFFAOYSA-N -1 3 345.432 2.082 20 30 EEEDHM CSc1ccc(CNC(=O)NCCCCC#N)cc1-c1nn[n-]n1 ZINC001605385266 1351150278 /nfs/dbraw/zinc/15/02/78/1351150278.db2.gz 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C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H](OC2CCC2)C1 ZINC001340502429 1337198075 /nfs/dbraw/zinc/19/80/75/1337198075.db2.gz TWXSMHJXUIVEMD-ZDUSSCGKSA-N -1 3 345.403 2.363 20 30 EEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H](OCC2CC2)C1 ZINC001340502383 1337198093 /nfs/dbraw/zinc/19/80/93/1337198093.db2.gz RROGLZIURWLAAC-CYBMUJFWSA-N -1 3 345.403 2.220 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)c1cccc(C#N)c1 ZINC001579876545 1344424989 /nfs/dbraw/zinc/42/49/89/1344424989.db2.gz CCFBXNZSGUCKJK-UHFFFAOYSA-N -1 3 334.339 2.024 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)c1cccc(C#N)c1 ZINC001579876545 1344424994 /nfs/dbraw/zinc/42/49/94/1344424994.db2.gz CCFBXNZSGUCKJK-UHFFFAOYSA-N -1 3 334.339 2.024 20 30 EEEDHM COc1cc(C(=O)N[C@@H](C)c2cccc(C#N)c2)ccc1-c1nnn[n-]1 ZINC001579898627 1344429767 /nfs/dbraw/zinc/42/97/67/1344429767.db2.gz QNNQIMJTGGEOBV-NSHDSACASA-N -1 3 348.366 2.238 20 30 EEEDHM COc1cc(C(=O)N[C@@H](C)c2cccc(C#N)c2)ccc1-c1nn[n-]n1 ZINC001579898627 1344429770 /nfs/dbraw/zinc/42/97/70/1344429770.db2.gz QNNQIMJTGGEOBV-NSHDSACASA-N -1 3 348.366 2.238 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)n1 ZINC001580616161 1344543769 /nfs/dbraw/zinc/54/37/69/1344543769.db2.gz GIMMECKFNLRPAU-UHFFFAOYSA-N -1 3 345.366 2.112 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)n1 ZINC001580616161 1344543771 /nfs/dbraw/zinc/54/37/71/1344543771.db2.gz GIMMECKFNLRPAU-UHFFFAOYSA-N -1 3 345.366 2.112 20 30 EEEDHM N#Cc1c(-c2ccccc2)nnn1Cc1ccc(-c2nnn[n-]2)s1 ZINC001581860764 1344680555 /nfs/dbraw/zinc/68/05/55/1344680555.db2.gz RUMASBOUVFHEHH-UHFFFAOYSA-N -1 3 334.368 2.107 20 30 EEEDHM N#Cc1cc(NC(=O)c2cnccc2-c2nnn[n-]2)ccc1C1CC1 ZINC001581870670 1344683335 /nfs/dbraw/zinc/68/33/35/1344683335.db2.gz NCCRHEWGSSDJBD-UHFFFAOYSA-N -1 3 331.339 2.263 20 30 EEEDHM N#Cc1cc(NC(=O)c2cnccc2-c2nn[n-]n2)ccc1C1CC1 ZINC001581870670 1344683337 /nfs/dbraw/zinc/68/33/37/1344683337.db2.gz NCCRHEWGSSDJBD-UHFFFAOYSA-N -1 3 331.339 2.263 20 30 EEEDHM C#C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC001588328206 1348887862 /nfs/dbraw/zinc/88/78/62/1348887862.db2.gz AUWBXHYNPZSZLT-ZDUSSCGKSA-N -1 3 337.343 2.393 20 30 EEEDHM C#C[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC001588328206 1348887866 /nfs/dbraw/zinc/88/78/66/1348887866.db2.gz AUWBXHYNPZSZLT-ZDUSSCGKSA-N -1 3 337.343 2.393 20 30 EEEDHM C#C[C@@H]1CCCCN1C(=O)Nc1cc(OC)c(-c2nnn[n-]2)cc1F ZINC001588332629 1348889944 /nfs/dbraw/zinc/88/99/44/1348889944.db2.gz OLOFSJBGZWSCPI-SNVBAGLBSA-N -1 3 344.350 2.034 20 30 EEEDHM C#C[C@@H]1CCCCN1C(=O)Nc1cc(OC)c(-c2nn[n-]n2)cc1F ZINC001588332629 1348889949 /nfs/dbraw/zinc/88/99/49/1348889949.db2.gz OLOFSJBGZWSCPI-SNVBAGLBSA-N -1 3 344.350 2.034 20 30 EEEDHM C#CCCOC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC001588347685 1348893397 /nfs/dbraw/zinc/89/33/97/1348893397.db2.gz WMECYSJUWIWEQI-UHFFFAOYSA-N -1 3 327.388 2.485 20 30 EEEDHM C#CCCOC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC001588347685 1348893402 /nfs/dbraw/zinc/89/34/02/1348893402.db2.gz WMECYSJUWIWEQI-UHFFFAOYSA-N -1 3 327.388 2.485 20 30 EEEDHM C#CCO[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)C(C)(C)CC2 ZINC001588360267 1348895265 /nfs/dbraw/zinc/89/52/65/1348895265.db2.gz MRJBLPKHDHGCSJ-SECBINFHSA-N -1 3 345.428 2.129 20 30 EEEDHM C#CCO[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)C(C)(C)CC2 ZINC001588360267 1348895269 /nfs/dbraw/zinc/89/52/69/1348895269.db2.gz MRJBLPKHDHGCSJ-SECBINFHSA-N -1 3 345.428 2.129 20 30 EEEDHM C#Cc1cccc(N(C)C(=O)c2ccc(-c3nnn[n-]3)c(OC)c2)c1 ZINC001588374646 1348898118 /nfs/dbraw/zinc/89/81/18/1348898118.db2.gz GKGQIJYLHKHHMT-UHFFFAOYSA-N -1 3 333.351 2.133 20 30 EEEDHM C#Cc1cccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)c(OC)c2)c1 ZINC001588374646 1348898124 /nfs/dbraw/zinc/89/81/24/1348898124.db2.gz GKGQIJYLHKHHMT-UHFFFAOYSA-N -1 3 333.351 2.133 20 30 EEEDHM C=C(C)[C@@H](C)OC(=O)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001588402705 1348901284 /nfs/dbraw/zinc/90/12/84/1348901284.db2.gz KMYXKXGJAVHMPR-YPMHNXCESA-N -1 3 345.378 2.340 20 30 EEEDHM C=C(C)CCC(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC001588419538 1348904107 /nfs/dbraw/zinc/90/41/07/1348904107.db2.gz MUTABJIHWPSBSG-UHFFFAOYSA-N -1 3 337.387 2.229 20 30 EEEDHM C=C(C)CCC(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC001588419538 1348904112 /nfs/dbraw/zinc/90/41/12/1348904112.db2.gz MUTABJIHWPSBSG-UHFFFAOYSA-N -1 3 337.387 2.229 20 30 EEEDHM C=C(CC)C(=O)NC1CCC(Oc2ncccc2-c2nnn[n-]2)CC1 ZINC001588441719 1348905021 /nfs/dbraw/zinc/90/50/21/1348905021.db2.gz GTKDQWLBBKBTNO-UHFFFAOYSA-N -1 3 342.403 2.034 20 30 EEEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588456067 1348905961 /nfs/dbraw/zinc/90/59/61/1348905961.db2.gz HLBHWFNNXTWRIR-YESZJQIVSA-N -1 3 348.410 2.259 20 30 EEEDHM C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001588546055 1348915340 /nfs/dbraw/zinc/91/53/40/1348915340.db2.gz VWSKNSHHGJCXMF-CQSZACIVSA-N -1 3 336.399 2.122 20 30 EEEDHM C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001588546055 1348915346 /nfs/dbraw/zinc/91/53/46/1348915346.db2.gz VWSKNSHHGJCXMF-CQSZACIVSA-N -1 3 336.399 2.122 20 30 EEEDHM C=CCC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588582022 1348920097 /nfs/dbraw/zinc/92/00/97/1348920097.db2.gz DTHYVSYPWWBLPW-ZDUSSCGKSA-N -1 3 347.444 2.294 20 30 EEEDHM C=CCC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588582022 1348920101 /nfs/dbraw/zinc/92/01/01/1348920101.db2.gz DTHYVSYPWWBLPW-ZDUSSCGKSA-N -1 3 347.444 2.294 20 30 EEEDHM C=CCCCC(=O)Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588594408 1348921750 /nfs/dbraw/zinc/92/17/50/1348921750.db2.gz NOWVPHMBMRFIHN-UHFFFAOYSA-N -1 3 337.387 2.406 20 30 EEEDHM C=CCCCC(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588594408 1348921752 /nfs/dbraw/zinc/92/17/52/1348921752.db2.gz NOWVPHMBMRFIHN-UHFFFAOYSA-N -1 3 337.387 2.406 20 30 EEEDHM C=CCCO[C@@H](C)C(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588608987 1348922706 /nfs/dbraw/zinc/92/27/06/1348922706.db2.gz GYNDOCXVZVSYJO-STQMWFEESA-N -1 3 329.404 2.367 20 30 EEEDHM C=CCCO[C@@H](C)C(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588608987 1348922707 /nfs/dbraw/zinc/92/27/07/1348922707.db2.gz GYNDOCXVZVSYJO-STQMWFEESA-N -1 3 329.404 2.367 20 30 EEEDHM C=CCCO[C@@H](C)C(=O)Oc1ccc(-c2nnn[n-]2)cc1OCC ZINC001588610717 1348923676 /nfs/dbraw/zinc/92/36/76/1348923676.db2.gz LHPJDPVQIAUBOF-NSHDSACASA-N -1 3 332.360 2.152 20 30 EEEDHM C=CCCO[C@@H](C)C(=O)Oc1ccc(-c2nn[n-]n2)cc1OCC ZINC001588610717 1348923679 /nfs/dbraw/zinc/92/36/79/1348923679.db2.gz LHPJDPVQIAUBOF-NSHDSACASA-N -1 3 332.360 2.152 20 30 EEEDHM C=CCN(CC=C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001588631985 1348925326 /nfs/dbraw/zinc/92/53/26/1348925326.db2.gz PHTFLXXCPXLNOB-MRXNPFEDSA-N -1 3 338.415 2.036 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@]1(C)CC1(F)F ZINC001588639946 1348926510 /nfs/dbraw/zinc/92/65/10/1348926510.db2.gz XQURYYXVLKDSGI-HNNXBMFYSA-N -1 3 333.342 2.427 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@]1(C)CC1(F)F ZINC001588639946 1348926512 /nfs/dbraw/zinc/92/65/12/1348926512.db2.gz XQURYYXVLKDSGI-HNNXBMFYSA-N -1 3 333.342 2.427 20 30 EEEDHM C=CCN(Cc1ccccc1)C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001588653666 1348927308 /nfs/dbraw/zinc/92/73/08/1348927308.db2.gz SUHGZQYLYAOIII-UHFFFAOYSA-N -1 3 349.394 2.460 20 30 EEEDHM C=CCN(Cc1ccccc1)C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001588653666 1348927312 /nfs/dbraw/zinc/92/73/12/1348927312.db2.gz SUHGZQYLYAOIII-UHFFFAOYSA-N -1 3 349.394 2.460 20 30 EEEDHM C=CCN(Cc1cccs1)C(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001588653776 1348927899 /nfs/dbraw/zinc/92/78/99/1348927899.db2.gz ZOTXAIUIBUPBFC-UHFFFAOYSA-N -1 3 326.385 2.152 20 30 EEEDHM C=CCN(Cc1cccs1)C(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001588653776 1348927902 /nfs/dbraw/zinc/92/79/02/1348927902.db2.gz ZOTXAIUIBUPBFC-UHFFFAOYSA-N -1 3 326.385 2.152 20 30 EEEDHM C=CCO[C@@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC001588666098 1348927938 /nfs/dbraw/zinc/92/79/38/1348927938.db2.gz ZWYFYGWXUTVXGV-SECBINFHSA-N -1 3 340.309 2.062 20 30 EEEDHM C=CCO[C@@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC001588666098 1348927942 /nfs/dbraw/zinc/92/79/42/1348927942.db2.gz ZWYFYGWXUTVXGV-SECBINFHSA-N -1 3 340.309 2.062 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001588726318 1348930605 /nfs/dbraw/zinc/93/06/05/1348930605.db2.gz YOEYYJWFBUKISD-OCCSQVGLSA-N -1 3 343.387 2.184 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001588726318 1348930609 /nfs/dbraw/zinc/93/06/09/1348930609.db2.gz YOEYYJWFBUKISD-OCCSQVGLSA-N -1 3 343.387 2.184 20 30 EEEDHM CCC(CC)CN(CCC#N)C(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001590433521 1349323626 /nfs/dbraw/zinc/32/36/26/1349323626.db2.gz FMUIGHLKKHSNJA-UHFFFAOYSA-N -1 3 329.408 2.295 20 30 EEEDHM CCC(CC)CN(CCC#N)C(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001590433521 1349323631 /nfs/dbraw/zinc/32/36/31/1349323631.db2.gz FMUIGHLKKHSNJA-UHFFFAOYSA-N -1 3 329.408 2.295 20 30 EEEDHM Cn1ncc(C2CC2)c1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001592600174 1349667026 /nfs/dbraw/zinc/66/70/26/1349667026.db2.gz NZJSXRKPVDGXRG-JYRVWZFOSA-N -1 3 332.367 2.300 20 30 EEEDHM Cn1ncc(C2CC2)c1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001592600174 1349667029 /nfs/dbraw/zinc/66/70/29/1349667029.db2.gz NZJSXRKPVDGXRG-JYRVWZFOSA-N -1 3 332.367 2.300 20 30 EEEDHM N#Cc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)s2)cc1Cl ZINC001592690615 1349706142 /nfs/dbraw/zinc/70/61/42/1349706142.db2.gz MORHEQGBIOWFKA-UHFFFAOYSA-N -1 3 344.787 2.383 20 30 EEEDHM N#Cc1ncn(CCOc2ccc(C(F)(F)F)cc2)c1-c1nnn[n-]1 ZINC001592709592 1349710649 /nfs/dbraw/zinc/71/06/49/1349710649.db2.gz KBLJYFXPJZCEDO-UHFFFAOYSA-N -1 3 349.276 2.033 20 30 EEEDHM O=C(NC1CC1)c1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001592968201 1349730747 /nfs/dbraw/zinc/73/07/47/1349730747.db2.gz YTNOQXFIZCFKGK-UHFFFAOYSA-N -1 3 347.382 2.205 20 30 EEEDHM O=C(NC1CC1)c1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001592968201 1349730750 /nfs/dbraw/zinc/73/07/50/1349730750.db2.gz YTNOQXFIZCFKGK-UHFFFAOYSA-N -1 3 347.382 2.205 20 30 EEEDHM C#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)ccc1F)c1ccc(F)cc1 ZINC001602687249 1350572676 /nfs/dbraw/zinc/57/26/76/1350572676.db2.gz ATPQWQAZNMFAMN-OAHLLOKOSA-N -1 3 339.305 2.249 20 30 EEEDHM C#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)ccc1F)c1ccc(F)cc1 ZINC001602687249 1350572680 /nfs/dbraw/zinc/57/26/80/1350572680.db2.gz ATPQWQAZNMFAMN-OAHLLOKOSA-N -1 3 339.305 2.249 20 30 EEEDHM C#Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001602741348 1350578854 /nfs/dbraw/zinc/57/88/54/1350578854.db2.gz GTLNYYJAYXRTRA-GFCCVEGCSA-N -1 3 333.351 2.254 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001602800734 1350588072 /nfs/dbraw/zinc/58/80/72/1350588072.db2.gz OLXDJYQYAPDEOT-OLZOCXBDSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001602800734 1350588075 /nfs/dbraw/zinc/58/80/75/1350588075.db2.gz OLXDJYQYAPDEOT-OLZOCXBDSA-N -1 3 343.435 2.123 20 30 EEEDHM C=CCCCC(=O)N(C)CCNc1cccc(F)c1-c1nnn[n-]1 ZINC001602832171 1350593005 /nfs/dbraw/zinc/59/30/05/1350593005.db2.gz LRTNLJXAAPZHNU-UHFFFAOYSA-N -1 3 332.383 2.232 20 30 EEEDHM C=CCCCC(=O)N(C)CCNc1cccc(F)c1-c1nn[n-]n1 ZINC001602832171 1350593009 /nfs/dbraw/zinc/59/30/09/1350593009.db2.gz LRTNLJXAAPZHNU-UHFFFAOYSA-N -1 3 332.383 2.232 20 30 EEEDHM CCC[C@H](CNc1c(C#N)cccc1-c1nnn[n-]1)C(=O)OCC ZINC001604144645 1350873334 /nfs/dbraw/zinc/87/33/34/1350873334.db2.gz RTLCSRSVELTKNF-GFCCVEGCSA-N -1 3 328.376 2.130 20 30 EEEDHM CCC[C@H](CNc1c(C#N)cccc1-c1nn[n-]n1)C(=O)OCC ZINC001604144645 1350873337 /nfs/dbraw/zinc/87/33/37/1350873337.db2.gz RTLCSRSVELTKNF-GFCCVEGCSA-N -1 3 328.376 2.130 20 30 EEEDHM CCOc1cccc(Cl)c1Cn1c(C)nc(C#N)c1-c1nnn[n-]1 ZINC001604465939 1350942902 /nfs/dbraw/zinc/94/29/02/1350942902.db2.gz YGCRKSLVRFUJDI-UHFFFAOYSA-N -1 3 343.778 2.344 20 30 EEEDHM CCOc1cccc(Cl)c1Cn1c(C)nc(C#N)c1-c1nn[n-]n1 ZINC001604465939 1350942903 /nfs/dbraw/zinc/94/29/03/1350942903.db2.gz YGCRKSLVRFUJDI-UHFFFAOYSA-N -1 3 343.778 2.344 20 30 EEEDHM 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EEEDHM N#Cc1ccc(F)c(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001606368985 1404804271 /nfs/dbraw/zinc/80/42/71/1404804271.db2.gz MTAOXJXKTLXUFP-UHFFFAOYSA-N -1 3 326.266 2.269 20 30 EEEDHM N#Cc1ccc(F)c(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001606368985 1404804272 /nfs/dbraw/zinc/80/42/72/1404804272.db2.gz MTAOXJXKTLXUFP-UHFFFAOYSA-N -1 3 326.266 2.269 20 30 EEEDHM N#Cc1ccsc1C(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1 ZINC000178002699 1405770065 /nfs/dbraw/zinc/77/00/65/1405770065.db2.gz KLDSGANZLJZJMU-UHFFFAOYSA-N -1 3 334.364 2.384 20 30 EEEDHM CC#CCCCC(=O)N(C)C[C@@H]1CCN1C(=O)c1ccccc1[O-] ZINC001757299294 1409642204 /nfs/dbraw/zinc/64/22/04/1409642204.db2.gz IHSDEJCHVPUKFN-HNNXBMFYSA-N -1 3 328.412 2.259 20 30 EEEDHM Cc1cc(C)c(C(=O)CCCC(=O)N[C@@H]2CCCN([O-])C2=O)c(C)c1 ZINC000816753823 784241934 /nfs/dbraw/zinc/24/19/34/784241934.db2.gz PXLXQHDHPUZWEG-OAHLLOKOSA-N -1 3 346.427 2.461 20 30 EEEDHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816759869 784247781 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N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2OCCc3ccccc32)s1 ZINC000368534399 466662224 /nfs/dbraw/zinc/66/22/24/466662224.db2.gz MEKOUTBFFDWOBS-CQSZACIVSA-N -1 3 334.422 2.212 20 30 EEEDHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1c(F)cccc1Cl ZINC000428267410 467216838 /nfs/dbraw/zinc/21/68/38/467216838.db2.gz WHJDBYJNPSXNKR-UHFFFAOYSA-N -1 3 325.752 2.224 20 30 EEEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000452022490 467307122 /nfs/dbraw/zinc/30/71/22/467307122.db2.gz LMVYFZUQALZJTG-JTQLQIEISA-N -1 3 341.326 2.450 20 30 EEEDHM N#Cc1cc([N+](=O)[O-])cnc1NCc1ccc([O-])c(Br)c1 ZINC000436556108 467544816 /nfs/dbraw/zinc/54/48/16/467544816.db2.gz ORRMSLGKLYDHOQ-UHFFFAOYSA-N -1 3 349.144 2.942 20 30 EEEDHM COCCOc1ccc(C#N)cc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000492535927 467666982 /nfs/dbraw/zinc/66/69/82/467666982.db2.gz MHYVGCUFQLQEIB-HWKANZROSA-N -1 3 339.351 2.336 20 30 EEEDHM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000530677230 468001979 /nfs/dbraw/zinc/00/19/79/468001979.db2.gz 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EEEDHM N#Cc1ccccc1COc1cccc(C=NN2CC(=O)[N-]C2=O)c1 ZINC000731315011 577093477 /nfs/dbraw/zinc/09/34/77/577093477.db2.gz ZMLOQNUTNWGNTF-UHFFFAOYSA-N -1 3 334.335 2.023 20 30 EEEDHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2C#N)CCO1 ZINC000771809107 577231633 /nfs/dbraw/zinc/23/16/33/577231633.db2.gz ZQWQGIWNITTZEY-BXUZGUMPSA-N -1 3 326.393 2.179 20 30 EEEDHM COc1cccc([O-])c1/C=N/[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000772804758 577298825 /nfs/dbraw/zinc/29/88/25/577298825.db2.gz XQUPRMCPAIISBD-YTTILGKYSA-N -1 3 330.306 2.373 20 30 EEEDHM O=C1[N-]c2c(cc([N+](=O)[O-])cc2F)C1=NN=c1[nH]c2ccccc2[nH]1 ZINC000774318349 577395057 /nfs/dbraw/zinc/39/50/57/577395057.db2.gz DTADXKIOMJEZCR-UHFFFAOYSA-N -1 3 340.274 2.379 20 30 EEEDHM N#Cc1ccc2c(c1)CC[C@H]2N/C=C1\C(=O)[N-]C(=O)c2ccccc21 ZINC000775740543 577444480 /nfs/dbraw/zinc/44/44/80/577444480.db2.gz KZQMPRXLDYPKBJ-UWKDKTGGSA-N -1 3 329.359 2.446 20 30 EEEDHM C#CCOc1cc(F)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000776350542 577458092 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Cc1cccc(N(CCC#N)C(=O)CN2CC[C@](C)(C(=O)[O-])C2)c1C ZINC000832971457 601930878 /nfs/dbraw/zinc/93/08/78/601930878.db2.gz OHHWYCDRRUAMGS-IBGZPJMESA-N -1 3 343.427 2.347 20 30 EEEDHM C[C@]1(C(=O)[O-])CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000828020358 601948832 /nfs/dbraw/zinc/94/88/32/601948832.db2.gz OIXWGYGJNSQJIZ-GTNSWQLSSA-N -1 3 343.408 2.269 20 30 EEEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CCC(N3CCCCC3=O)CC2)c1 ZINC000833073773 602056712 /nfs/dbraw/zinc/05/67/12/602056712.db2.gz HUJVUAIQNJPWBQ-GOSISDBHSA-N -1 3 341.411 2.161 20 30 EEEDHM Cc1csc(=NC2CC2)n1N=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826319992 607634222 /nfs/dbraw/zinc/63/42/22/607634222.db2.gz BSTZFJLXOHUMRR-UHFFFAOYSA-N -1 3 331.430 2.045 20 30 EEEDHM Cc1csc(=NC2CC2)n1N=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826319992 607634224 /nfs/dbraw/zinc/63/42/24/607634224.db2.gz BSTZFJLXOHUMRR-UHFFFAOYSA-N -1 3 331.430 2.045 20 30 EEEDHM C#CCOc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000823856085 607685576 /nfs/dbraw/zinc/68/55/76/607685576.db2.gz HTOBEKLCLREMNO-UHFFFAOYSA-N -1 3 333.351 2.439 20 30 EEEDHM C#CCOc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000823856085 607685578 /nfs/dbraw/zinc/68/55/78/607685578.db2.gz HTOBEKLCLREMNO-UHFFFAOYSA-N -1 3 333.351 2.439 20 30 EEEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C#N)[nH]1 ZINC000824255160 607710862 /nfs/dbraw/zinc/71/08/62/607710862.db2.gz AVPQIAUVQXXCFT-UHFFFAOYSA-N -1 3 349.398 2.365 20 30 EEEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C#N)[nH]1 ZINC000824255160 607710863 /nfs/dbraw/zinc/71/08/63/607710863.db2.gz AVPQIAUVQXXCFT-UHFFFAOYSA-N -1 3 349.398 2.365 20 30 EEEDHM COC(=O)[C@@H](Nc1ccc(CC#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644709 606299079 /nfs/dbraw/zinc/29/90/79/606299079.db2.gz GZUYWTNESOHUBM-INIZCTEOSA-N -1 3 348.366 2.259 20 30 EEEDHM COC(=O)[C@@H](Nc1ccc(CC#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644709 606299080 /nfs/dbraw/zinc/29/90/80/606299080.db2.gz GZUYWTNESOHUBM-INIZCTEOSA-N -1 3 348.366 2.259 20 30 EEEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000822924264 606306634 /nfs/dbraw/zinc/30/66/34/606306634.db2.gz ZQZSJUBRLODVGK-RQOWECAXSA-N -1 3 338.352 2.406 20 30 EEEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000822924264 606306635 /nfs/dbraw/zinc/30/66/35/606306635.db2.gz ZQZSJUBRLODVGK-RQOWECAXSA-N -1 3 338.352 2.406 20 30 EEEDHM C[C@@H](OC(=O)COc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820496532 606338826 /nfs/dbraw/zinc/33/88/26/606338826.db2.gz MMGMZTRPSKTEFT-GFCCVEGCSA-N -1 3 349.350 2.422 20 30 EEEDHM C[C@@H](OC(=O)COc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820496532 606338828 /nfs/dbraw/zinc/33/88/28/606338828.db2.gz MMGMZTRPSKTEFT-GFCCVEGCSA-N -1 3 349.350 2.422 20 30 EEEDHM N#Cc1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)s1 ZINC000822825467 606392658 /nfs/dbraw/zinc/39/26/58/606392658.db2.gz GZYLXNVCFLTILP-NTUHNPAUSA-N -1 3 348.347 2.144 20 30 EEEDHM N#Cc1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)s1 ZINC000822825467 606392660 /nfs/dbraw/zinc/39/26/60/606392660.db2.gz GZYLXNVCFLTILP-NTUHNPAUSA-N -1 3 348.347 2.144 20 30 EEEDHM N#Cc1cccc(OCCOC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000822837865 606565831 /nfs/dbraw/zinc/56/58/31/606565831.db2.gz WFUVCZWSWCSZFH-UHFFFAOYSA-N -1 3 341.352 2.036 20 30 EEEDHM N#Cc1cccc(OCCOC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000822837865 606565832 /nfs/dbraw/zinc/56/58/32/606565832.db2.gz WFUVCZWSWCSZFH-UHFFFAOYSA-N -1 3 341.352 2.036 20 30 EEEDHM N#Cc1ccccc1OCCOC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822842652 606565953 /nfs/dbraw/zinc/56/59/53/606565953.db2.gz RYQBQCXFIXCFPT-UHFFFAOYSA-N -1 3 341.352 2.036 20 30 EEEDHM N#Cc1ccccc1OCCOC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822842652 606565954 /nfs/dbraw/zinc/56/59/54/606565954.db2.gz RYQBQCXFIXCFPT-UHFFFAOYSA-N -1 3 341.352 2.036 20 30 EEEDHM Clc1cncc(N=NCc2c[nH]c3ccc(-c4nnn[n-]4)cc23)n1 ZINC000822589834 607147675 /nfs/dbraw/zinc/14/76/75/607147675.db2.gz AIJPAILSPHSYHZ-UHFFFAOYSA-N -1 3 339.750 2.237 20 30 EEEDHM Clc1cncc(N=NCc2c[nH]c3ccc(-c4nn[n-]n4)cc23)n1 ZINC000822589834 607147677 /nfs/dbraw/zinc/14/76/77/607147677.db2.gz AIJPAILSPHSYHZ-UHFFFAOYSA-N -1 3 339.750 2.237 20 30 EEEDHM N#Cc1ccc(NC(=O)c2ccnn2C2CCCC2)cc1-c1nnn[n-]1 ZINC000822829938 607238581 /nfs/dbraw/zinc/23/85/81/607238581.db2.gz QIQOYOPJIFRWFF-UHFFFAOYSA-N -1 3 348.370 2.302 20 30 EEEDHM N#Cc1ccc(NC(=O)c2ccnn2C2CCCC2)cc1-c1nn[n-]n1 ZINC000822829938 607238582 /nfs/dbraw/zinc/23/85/82/607238582.db2.gz QIQOYOPJIFRWFF-UHFFFAOYSA-N -1 3 348.370 2.302 20 30 EEEDHM C=C(C)[C@H](CC(=O)OCc1cc(-c2nnn[n-]2)ccc1OC)OCC ZINC000823873055 607919191 /nfs/dbraw/zinc/91/91/91/607919191.db2.gz GXEWKJVXRCIYEJ-HNNXBMFYSA-N -1 3 346.387 2.290 20 30 EEEDHM C=C(C)[C@H](CC(=O)OCc1cc(-c2nn[n-]n2)ccc1OC)OCC ZINC000823873055 607919192 /nfs/dbraw/zinc/91/91/92/607919192.db2.gz GXEWKJVXRCIYEJ-HNNXBMFYSA-N -1 3 346.387 2.290 20 30 EEEDHM C=C(C)[C@@H](CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1)OCC ZINC000823873663 607919315 /nfs/dbraw/zinc/91/93/15/607919315.db2.gz OXMSAWBHDBDIPX-CQSZACIVSA-N -1 3 334.351 2.420 20 30 EEEDHM C=C(C)[C@@H](CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1)OCC ZINC000823873663 607919316 /nfs/dbraw/zinc/91/93/16/607919316.db2.gz OXMSAWBHDBDIPX-CQSZACIVSA-N -1 3 334.351 2.420 20 30 EEEDHM C#CCOc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000823855920 607954758 /nfs/dbraw/zinc/95/47/58/607954758.db2.gz DXBADOPDEUUMKO-UHFFFAOYSA-N -1 3 345.362 2.082 20 30 EEEDHM C#CCOc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000823855920 607954759 /nfs/dbraw/zinc/95/47/59/607954759.db2.gz DXBADOPDEUUMKO-UHFFFAOYSA-N -1 3 345.362 2.082 20 30 EEEDHM COc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1F ZINC000826214873 608064473 /nfs/dbraw/zinc/06/44/73/608064473.db2.gz ZMPVFLSLIJNXLL-UHFFFAOYSA-N -1 3 338.302 2.138 20 30 EEEDHM COc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1F ZINC000826214873 608064474 /nfs/dbraw/zinc/06/44/74/608064474.db2.gz ZMPVFLSLIJNXLL-UHFFFAOYSA-N -1 3 338.302 2.138 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(C#N)cc1OC ZINC000826173354 608260789 /nfs/dbraw/zinc/26/07/89/608260789.db2.gz ZSIYZWUUYPCMIC-UHFFFAOYSA-N -1 3 337.339 2.335 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(C#N)cc1OC ZINC000826173354 608260790 /nfs/dbraw/zinc/26/07/90/608260790.db2.gz ZSIYZWUUYPCMIC-UHFFFAOYSA-N -1 3 337.339 2.335 20 30 EEEDHM C#C[C@@H](Cc1ccccc1)OC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823837972 608332198 /nfs/dbraw/zinc/33/21/98/608332198.db2.gz JNNGJTKXOBNAMF-KRWDZBQOSA-N -1 3 332.363 2.197 20 30 EEEDHM C#C[C@@H](Cc1ccccc1)OC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823837972 608332199 /nfs/dbraw/zinc/33/21/99/608332199.db2.gz JNNGJTKXOBNAMF-KRWDZBQOSA-N -1 3 332.363 2.197 20 30 EEEDHM N#Cc1cn(Cc2cccc(-c3nnn[n-]3)c2F)c2ccccc2c1=O ZINC000826387928 608397706 /nfs/dbraw/zinc/39/77/06/608397706.db2.gz ZTDWYKKJXMLVOP-UHFFFAOYSA-N -1 3 346.325 2.241 20 30 EEEDHM N#Cc1cn(Cc2cccc(-c3nn[n-]n3)c2F)c2ccccc2c1=O ZINC000826387928 608397710 /nfs/dbraw/zinc/39/77/10/608397710.db2.gz ZTDWYKKJXMLVOP-UHFFFAOYSA-N -1 3 346.325 2.241 20 30 EEEDHM COc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)s1 ZINC000826190428 608539020 /nfs/dbraw/zinc/53/90/20/608539020.db2.gz BBKWSNDOHSCLKD-UHFFFAOYSA-N -1 3 335.780 2.431 20 30 EEEDHM COc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)s1 ZINC000826190428 608539021 /nfs/dbraw/zinc/53/90/21/608539021.db2.gz BBKWSNDOHSCLKD-UHFFFAOYSA-N -1 3 335.780 2.431 20 30 EEEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824262341 609203477 /nfs/dbraw/zinc/20/34/77/609203477.db2.gz ZVYYOYDEMPYEFZ-UHFFFAOYSA-N -1 3 349.398 2.365 20 30 EEEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824262341 609203478 /nfs/dbraw/zinc/20/34/78/609203478.db2.gz ZVYYOYDEMPYEFZ-UHFFFAOYSA-N -1 3 349.398 2.365 20 30 EEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(=O)CC12CCC2 ZINC000891838842 676858209 /nfs/dbraw/zinc/85/82/09/676858209.db2.gz GMQKKXHOCROSMP-UHFFFAOYSA-N -1 3 341.411 2.323 20 30 EEEDHM N#Cc1cccnc1N1CCC2(C[C@@H]2NC(=O)c2ccccc2[O-])CC1 ZINC001058622650 682389030 /nfs/dbraw/zinc/38/90/30/682389030.db2.gz QVPLLNULNMRRSG-KRWDZBQOSA-N -1 3 348.406 2.448 20 30 EEEDHM N#Cc1ccc(N[C@@H]2CC[C@H]3CN(C(=O)c4ccccc4[O-])C[C@@H]32)nn1 ZINC001060500803 683912313 /nfs/dbraw/zinc/91/23/13/683912313.db2.gz WEMLCTXVLLRYLQ-VBNZEHGJSA-N -1 3 349.394 2.017 20 30 EEEDHM CC(C)(C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O)C(F)F ZINC000904185753 694315390 /nfs/dbraw/zinc/31/53/90/694315390.db2.gz IHVGAQMLWMSOKJ-UHFFFAOYSA-N -1 3 340.326 2.182 20 30 EEEDHM N#Cc1ccc(N2CCC[C@@H](CNC(=O)c3ccccc3[O-])C2)nc1 ZINC001059902399 690823015 /nfs/dbraw/zinc/82/30/15/690823015.db2.gz BWWSKQMQCVVUET-HNNXBMFYSA-N -1 3 336.395 2.305 20 30 EEEDHM Cc1cc(C(F)(F)F)nn1CC/N=C/c1c([O-])c(C)ncc1CO ZINC000905001362 694498617 /nfs/dbraw/zinc/49/86/17/694498617.db2.gz HLKJUOJIZJPCHI-FBCYGCLPSA-N -1 3 342.321 2.231 20 30 EEEDHM C=C(C)CN1CCC2(CCN(C(=O)c3cccc(O)c3[O-])CC2)C1=O ZINC001269686801 1184520439 /nfs/dbraw/zinc/52/04/39/1184520439.db2.gz QBABSHDKGROOAJ-UHFFFAOYSA-N -1 3 344.411 2.129 20 30 EEEDHM N#CCCCN1CCC2(CCN(Cc3ccc(C(=O)[O-])o3)CC2)C1=O 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328.397 2.175 20 30 EEEDHM C=CCN1C[C@]2(CC1=O)COCCN(Cc1ccc([S-])cc1)C2 ZINC001274110060 1204377620 /nfs/dbraw/zinc/37/76/20/1204377620.db2.gz GJAWRJGQJQPFDD-GOSISDBHSA-N -1 3 332.469 2.212 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000935677807 1208197892 /nfs/dbraw/zinc/19/78/92/1208197892.db2.gz RNVSLYBKLFAEHU-LBPRGKRZSA-N -1 3 334.420 2.290 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000935677807 1208197894 /nfs/dbraw/zinc/19/78/94/1208197894.db2.gz RNVSLYBKLFAEHU-LBPRGKRZSA-N -1 3 334.420 2.290 20 30 EEEDHM C[C@@]1(CC[N-]S(=O)(=O)c2cccnc2C#N)CC1(Cl)Cl ZINC000832364333 1214775705 /nfs/dbraw/zinc/77/57/05/1214775705.db2.gz FZLQQDWFTSDBHE-LLVKDONJSA-N -1 3 334.228 2.206 20 30 EEEDHM N#Cc1cnc(N[C@H]2C[C@H](NC(=O)c3ccccc3[O-])C23CCC3)cn1 ZINC001041547434 1231590041 /nfs/dbraw/zinc/59/00/41/1231590041.db2.gz INPDRYAAQLIKFU-HOTGVXAUSA-N -1 3 349.394 2.207 20 30 EEEDHM N#CCOc1ccc(COC(=O)c2cc(F)cc3[n-]nnc32)cc1 ZINC000800258709 1233995249 /nfs/dbraw/zinc/99/52/49/1233995249.db2.gz XYXWGMLCPQNSSC-UHFFFAOYSA-N -1 3 326.287 2.356 20 30 EEEDHM N#CCOc1ccc(COC(=O)c2cc(F)cc3nn[n-]c32)cc1 ZINC000800258709 1233995255 /nfs/dbraw/zinc/99/52/55/1233995255.db2.gz XYXWGMLCPQNSSC-UHFFFAOYSA-N -1 3 326.287 2.356 20 30 EEEDHM N#CCOc1ccc(COC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000800258709 1233995260 /nfs/dbraw/zinc/99/52/60/1233995260.db2.gz XYXWGMLCPQNSSC-UHFFFAOYSA-N -1 3 326.287 2.356 20 30 EEEDHM C#CCCCC(=O)N1C[C@@H]2CCCN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001056601179 1239447234 /nfs/dbraw/zinc/44/72/34/1239447234.db2.gz BXLPBPIOWLWPEX-DOTOQJQBSA-N -1 3 340.423 2.259 20 30 EEEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000903122638 1239793738 /nfs/dbraw/zinc/79/37/38/1239793738.db2.gz BYLCJSIBDNWINC-RKDXNWHRSA-N -1 3 331.290 2.135 20 30 EEEDHM Cc1ccc(C#N)c(N2CCCN(C(=O)c3ccccc3[O-])CC2)n1 ZINC001057087829 1241690863 /nfs/dbraw/zinc/69/08/63/1241690863.db2.gz ZYOKZPUQJRAUMT-UHFFFAOYSA-N -1 3 336.395 2.320 20 30 EEEDHM 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N#Cc1ccc(F)c(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC001581871371 1344683299 /nfs/dbraw/zinc/68/32/99/1344683299.db2.gz RMZMFRWVBQGQTH-UHFFFAOYSA-N -1 3 343.709 2.178 20 30 EEEDHM N#Cc1ccc(F)c(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC001581871371 1344683302 /nfs/dbraw/zinc/68/33/02/1344683302.db2.gz RMZMFRWVBQGQTH-UHFFFAOYSA-N -1 3 343.709 2.178 20 30 EEEDHM N#Cc1cccc(CC(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)c1 ZINC001581875080 1344684249 /nfs/dbraw/zinc/68/42/49/1344684249.db2.gz UYMULCQCBFKJAO-UHFFFAOYSA-N -1 3 340.293 2.198 20 30 EEEDHM N#Cc1cccc(CC(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)c1 ZINC001581875080 1344684253 /nfs/dbraw/zinc/68/42/53/1344684253.db2.gz UYMULCQCBFKJAO-UHFFFAOYSA-N -1 3 340.293 2.198 20 30 EEEDHM C=CCCC(=O)N[C@@H](C)CCCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588571554 1348918961 /nfs/dbraw/zinc/91/89/61/1348918961.db2.gz KZXXUXPHLYUZGO-LBPRGKRZSA-N -1 3 343.435 2.233 20 30 EEEDHM C=CCCC(=O)N[C@@H](C)CCCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588571554 1348918965 /nfs/dbraw/zinc/91/89/65/1348918965.db2.gz KZXXUXPHLYUZGO-LBPRGKRZSA-N -1 3 343.435 2.233 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@H](CC(C)C)C(=O)OC ZINC001588648590 1348927661 /nfs/dbraw/zinc/92/76/61/1348927661.db2.gz MOJNIQXZHCBOIG-MRXNPFEDSA-N -1 3 343.431 2.442 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@H](CC(C)C)C(=O)OC ZINC001588648590 1348927663 /nfs/dbraw/zinc/92/76/63/1348927663.db2.gz MOJNIQXZHCBOIG-MRXNPFEDSA-N -1 3 343.431 2.442 20 30 EEEDHM C=CCOc1cccc(NC(=O)c2ncc(-c3nnn[n-]3)cc2C)c1 ZINC001588689390 1348929373 /nfs/dbraw/zinc/92/93/73/1348929373.db2.gz GQAJKXSEGOBYAZ-UHFFFAOYSA-N -1 3 336.355 2.387 20 30 EEEDHM C=CCOc1cccc(NC(=O)c2ncc(-c3nn[n-]n3)cc2C)c1 ZINC001588689390 1348929375 /nfs/dbraw/zinc/92/93/75/1348929375.db2.gz GQAJKXSEGOBYAZ-UHFFFAOYSA-N -1 3 336.355 2.387 20 30 EEEDHM CC(=NN[C@H]1CCOC(C)(C)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588776636 1348935252 /nfs/dbraw/zinc/93/52/52/1348935252.db2.gz YWNXYNRGESFTQK-LBPRGKRZSA-N -1 3 332.383 2.277 20 30 EEEDHM CC(=NN[C@H]1CCOC(C)(C)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588776636 1348935258 /nfs/dbraw/zinc/93/52/58/1348935258.db2.gz YWNXYNRGESFTQK-LBPRGKRZSA-N -1 3 332.383 2.277 20 30 EEEDHM CC(C)(CCC#N)CNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001589272809 1348978106 /nfs/dbraw/zinc/97/81/06/1348978106.db2.gz PUXXHEYZFDSHPR-UHFFFAOYSA-N -1 3 345.382 2.135 20 30 EEEDHM CC(C)(CCC#N)CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001589272809 1348978109 /nfs/dbraw/zinc/97/81/09/1348978109.db2.gz PUXXHEYZFDSHPR-UHFFFAOYSA-N -1 3 345.382 2.135 20 30 EEEDHM CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001589307088 1348980599 /nfs/dbraw/zinc/98/05/99/1348980599.db2.gz GJWDJXXBLRPLEY-UHFFFAOYSA-N -1 3 346.394 2.489 20 30 EEEDHM CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001589307088 1348980600 /nfs/dbraw/zinc/98/06/00/1348980600.db2.gz GJWDJXXBLRPLEY-UHFFFAOYSA-N -1 3 346.394 2.489 20 30 EEEDHM CC(C)C[C@H](C)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589550566 1349004086 /nfs/dbraw/zinc/00/40/86/1349004086.db2.gz LOKRCKGTGXTZTM-SWLSCSKDSA-N -1 3 326.404 2.100 20 30 EEEDHM C[C@@H](CC#N)N(C)C(=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001589786967 1349042921 /nfs/dbraw/zinc/04/29/21/1349042921.db2.gz GZRBHLQKDKFOJY-QMMMGPOBSA-N -1 3 349.192 2.003 20 30 EEEDHM C[C@@H](CC#N)N(C)C(=O)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001589786967 1349042922 /nfs/dbraw/zinc/04/29/22/1349042922.db2.gz GZRBHLQKDKFOJY-QMMMGPOBSA-N -1 3 349.192 2.003 20 30 EEEDHM C[C@H]([NH2+][C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1cccc(C#N)c1[O-] ZINC001589953493 1349077087 /nfs/dbraw/zinc/07/70/87/1349077087.db2.gz FPKYNIMQOAFATD-ZBEGNZNMSA-N -1 3 346.394 2.262 20 30 EEEDHM C[C@H]([NH2+][C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1cccc(C#N)c1[O-] ZINC001589953493 1349077090 /nfs/dbraw/zinc/07/70/90/1349077090.db2.gz FPKYNIMQOAFATD-ZBEGNZNMSA-N -1 3 346.394 2.262 20 30 EEEDHM CCCCCCCC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001590592994 1349375103 /nfs/dbraw/zinc/37/51/03/1349375103.db2.gz RJSDAYQSGYPYEZ-CQSZACIVSA-N -1 3 346.435 2.103 20 30 EEEDHM CCCCCCCC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001590592994 1349375109 /nfs/dbraw/zinc/37/51/09/1349375109.db2.gz RJSDAYQSGYPYEZ-CQSZACIVSA-N -1 3 346.435 2.103 20 30 EEEDHM CCN(C[C@H](C)C#N)C(=O)CSc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001590682571 1349388037 /nfs/dbraw/zinc/38/80/37/1349388037.db2.gz MUZMLJPKPHEWBA-LLVKDONJSA-N -1 3 344.444 2.275 20 30 EEEDHM CCN(C[C@H](C)C#N)C(=O)CSc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001590682571 1349388041 /nfs/dbraw/zinc/38/80/41/1349388041.db2.gz MUZMLJPKPHEWBA-LLVKDONJSA-N -1 3 344.444 2.275 20 30 EEEDHM COc1cc(C=C2c3ccc(-c4nnn[n-]4)cc3NC2=O)ccc1C#N ZINC001591523346 1349495888 /nfs/dbraw/zinc/49/58/88/1349495888.db2.gz VOMJEJLEWOJXPO-NSIKDUERSA-N -1 3 344.334 2.240 20 30 EEEDHM COc1cc(C=C2c3ccc(-c4nn[n-]n4)cc3NC2=O)ccc1C#N ZINC001591523346 1349495891 /nfs/dbraw/zinc/49/58/91/1349495891.db2.gz VOMJEJLEWOJXPO-NSIKDUERSA-N -1 3 344.334 2.240 20 30 EEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CC(=O)c1ccc2ccccc2c1 ZINC001592340733 1349623260 /nfs/dbraw/zinc/62/32/60/1349623260.db2.gz JJNKMQKPCFQTBP-UHFFFAOYSA-N -1 3 343.350 2.279 20 30 EEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CC(=O)c1ccc2ccccc2c1 ZINC001592340733 1349623263 /nfs/dbraw/zinc/62/32/63/1349623263.db2.gz JJNKMQKPCFQTBP-UHFFFAOYSA-N -1 3 343.350 2.279 20 30 EEEDHM Clc1ccnc(N=NC2CCCc3cc(-c4nnn[n-]4)cnc32)c1 ZINC001592535924 1349651182 /nfs/dbraw/zinc/65/11/82/1349651182.db2.gz FJEDVIMNXHLFGY-UHFFFAOYSA-N -1 3 340.778 2.463 20 30 EEEDHM Clc1ccnc(N=NC2CCCc3cc(-c4nn[n-]n4)cnc32)c1 ZINC001592535924 1349651184 /nfs/dbraw/zinc/65/11/84/1349651184.db2.gz FJEDVIMNXHLFGY-UHFFFAOYSA-N -1 3 340.778 2.463 20 30 EEEDHM N#CC1(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001592670937 1349703711 /nfs/dbraw/zinc/70/37/11/1349703711.db2.gz VWPHVLOCWHKCBT-UHFFFAOYSA-N -1 3 342.428 2.052 20 30 EEEDHM N#CC1(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001592670937 1349703715 /nfs/dbraw/zinc/70/37/15/1349703715.db2.gz VWPHVLOCWHKCBT-UHFFFAOYSA-N -1 3 342.428 2.052 20 30 EEEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001592686882 1349705109 /nfs/dbraw/zinc/70/51/09/1349705109.db2.gz WXWRKLPINPCQPL-BBBLOLIVSA-N -1 3 327.417 2.244 20 30 EEEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001592686882 1349705112 /nfs/dbraw/zinc/70/51/12/1349705112.db2.gz WXWRKLPINPCQPL-BBBLOLIVSA-N -1 3 327.417 2.244 20 30 EEEDHM N#Cc1ccc(SCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])nc1 ZINC001592697355 1349708128 /nfs/dbraw/zinc/70/81/28/1349708128.db2.gz GXDZNWNRPDIVMW-UHFFFAOYSA-N -1 3 339.340 2.334 20 30 EEEDHM N#Cc1ccc(SCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])nc1 ZINC001592697355 1349708133 /nfs/dbraw/zinc/70/81/33/1349708133.db2.gz GXDZNWNRPDIVMW-UHFFFAOYSA-N -1 3 339.340 2.334 20 30 EEEDHM N#Cc1cccc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC001592701489 1349709130 /nfs/dbraw/zinc/70/91/30/1349709130.db2.gz APMPMTUTVVXRII-UHFFFAOYSA-N -1 3 343.394 2.423 20 30 EEEDHM N#Cc1ncccc1COC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001592709373 1349710400 /nfs/dbraw/zinc/71/04/00/1349710400.db2.gz CBMOSOMBLPSPDT-UHFFFAOYSA-N -1 3 340.730 2.144 20 30 EEEDHM N#Cc1ncccc1COC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001592709373 1349710401 /nfs/dbraw/zinc/71/04/01/1349710401.db2.gz CBMOSOMBLPSPDT-UHFFFAOYSA-N -1 3 340.730 2.144 20 30 EEEDHM O=C(OCC#Cc1cccc(Cl)c1)c1cc(-c2nnn[n-]2)ccn1 ZINC001593281317 1349760803 /nfs/dbraw/zinc/76/08/03/1349760803.db2.gz TTXKRDBZBHJXCF-UHFFFAOYSA-N -1 3 339.742 2.124 20 30 EEEDHM O=C(OCC#Cc1cccc(Cl)c1)c1cc(-c2nn[n-]n2)ccn1 ZINC001593281317 1349760807 /nfs/dbraw/zinc/76/08/07/1349760807.db2.gz TTXKRDBZBHJXCF-UHFFFAOYSA-N -1 3 339.742 2.124 20 30 EEEDHM O=C1C(=Cc2cccc3nccn32)Cc2ccc(-c3nnn[n-]3)cc21 ZINC001593381008 1349795031 /nfs/dbraw/zinc/79/50/31/1349795031.db2.gz VYPOBFLUNFWNBG-LCYFTJDESA-N -1 3 328.335 2.337 20 30 EEEDHM O=C1C(=Cc2cccc3nccn32)Cc2ccc(-c3nn[n-]n3)cc21 ZINC001593381008 1349795034 /nfs/dbraw/zinc/79/50/34/1349795034.db2.gz VYPOBFLUNFWNBG-LCYFTJDESA-N -1 3 328.335 2.337 20 30 EEEDHM N#CCOc1ccc(Cl)cc1CN[C@]1(CC(=O)[O-])CCCOC1 ZINC001601073969 1350202990 /nfs/dbraw/zinc/20/29/90/1350202990.db2.gz FICMYXFKABKFNG-INIZCTEOSA-N -1 3 338.791 2.356 20 30 EEEDHM C#C[C@@](C)(CC)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC001602690078 1350573440 /nfs/dbraw/zinc/57/34/40/1350573440.db2.gz QYXZAAWRFFRQJG-INIZCTEOSA-N -1 3 329.408 2.347 20 30 EEEDHM C#C[C@@](C)(CC)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC001602690078 1350573442 /nfs/dbraw/zinc/57/34/42/1350573442.db2.gz QYXZAAWRFFRQJG-INIZCTEOSA-N -1 3 329.408 2.347 20 30 EEEDHM C#C[C@@H]1COCCN1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC001602696090 1350574723 /nfs/dbraw/zinc/57/47/23/1350574723.db2.gz AHAXPTRONRILHM-QGZVFWFLSA-N -1 3 345.406 2.368 20 30 EEEDHM C#C[C@@H]1COCCN1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC001602696090 1350574725 /nfs/dbraw/zinc/57/47/25/1350574725.db2.gz AHAXPTRONRILHM-QGZVFWFLSA-N -1 3 345.406 2.368 20 30 EEEDHM C#CCOc1ccccc1NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001602732925 1350578524 /nfs/dbraw/zinc/57/85/24/1350578524.db2.gz LDVPOZDQTYSNMR-UHFFFAOYSA-N -1 3 325.353 2.193 20 30 EEEDHM C#Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)n2C)c(Cl)c1 ZINC001602741269 1350578783 /nfs/dbraw/zinc/57/87/83/1350578783.db2.gz COAHQFSFOGHVSD-UHFFFAOYSA-N -1 3 326.747 2.092 20 30 EEEDHM C#Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)n2C)c(Cl)c1 ZINC001602741269 1350578787 /nfs/dbraw/zinc/57/87/87/1350578787.db2.gz COAHQFSFOGHVSD-UHFFFAOYSA-N -1 3 326.747 2.092 20 30 EEEDHM C=C(C)[C@@H](CO)Sc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC001602752531 1350581812 /nfs/dbraw/zinc/58/18/12/1350581812.db2.gz DDLGJZWYKYDQJR-MRVPVSSYSA-N -1 3 331.323 2.310 20 30 EEEDHM C=C(C)[C@@H](CO)Sc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC001602752531 1350581815 /nfs/dbraw/zinc/58/18/15/1350581815.db2.gz DDLGJZWYKYDQJR-MRVPVSSYSA-N -1 3 331.323 2.310 20 30 EEEDHM C=C(C)CCC(=O)N(C)C[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001602756709 1350582630 /nfs/dbraw/zinc/58/26/30/1350582630.db2.gz WBGWMGLAJQLNKC-LLVKDONJSA-N -1 3 347.398 2.016 20 30 EEEDHM C=C(C)CCC(=O)N(C)C[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001602756709 1350582633 /nfs/dbraw/zinc/58/26/33/1350582633.db2.gz WBGWMGLAJQLNKC-LLVKDONJSA-N -1 3 347.398 2.016 20 30 EEEDHM C=C(C)CCC(=O)N1CCC(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001602756631 1350582694 /nfs/dbraw/zinc/58/26/94/1350582694.db2.gz SUODRUZOXDBJAE-UHFFFAOYSA-N -1 3 341.419 2.021 20 30 EEEDHM C=C(C)CCC(=O)N1CCC(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001602756631 1350582698 /nfs/dbraw/zinc/58/26/98/1350582698.db2.gz SUODRUZOXDBJAE-UHFFFAOYSA-N -1 3 341.419 2.021 20 30 EEEDHM C=CCC1(CNC(=O)c2cc(C)c(-c3nnn[n-]3)cn2)CCCC1 ZINC001602818201 1350590747 /nfs/dbraw/zinc/59/07/47/1350590747.db2.gz HCFBYEGYFDBVCA-UHFFFAOYSA-N -1 3 326.404 2.436 20 30 EEEDHM C=CCC1(CNC(=O)c2cc(C)c(-c3nn[n-]n3)cn2)CCCC1 ZINC001602818201 1350590752 /nfs/dbraw/zinc/59/07/52/1350590752.db2.gz HCFBYEGYFDBVCA-UHFFFAOYSA-N -1 3 326.404 2.436 20 30 EEEDHM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001602823872 1350591442 /nfs/dbraw/zinc/59/14/42/1350591442.db2.gz MSGMILCFVIMJCH-NSHDSACASA-N -1 3 331.401 2.068 20 30 EEEDHM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001602823872 1350591448 /nfs/dbraw/zinc/59/14/48/1350591448.db2.gz MSGMILCFVIMJCH-NSHDSACASA-N -1 3 331.401 2.068 20 30 EEEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC[C@H]1C ZINC001602879458 1350600280 /nfs/dbraw/zinc/60/02/80/1350600280.db2.gz QFQXKUNCHNMOIQ-GFCCVEGCSA-N -1 3 336.403 2.300 20 30 EEEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC[C@H]1C ZINC001602879458 1350600281 /nfs/dbraw/zinc/60/02/81/1350600281.db2.gz QFQXKUNCHNMOIQ-GFCCVEGCSA-N -1 3 336.403 2.300 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1Br ZINC001602887982 1350601238 /nfs/dbraw/zinc/60/12/38/1350601238.db2.gz DQOMAVTYMOHGKX-NEPJUHHUSA-N -1 3 336.193 2.385 20 30 EEEDHM CC(NNc1oc(CC(C)C)nc1-c1nnn[n-]1)=C1CC1(F)F ZINC001602911389 1350605382 /nfs/dbraw/zinc/60/53/82/1350605382.db2.gz DQQUQGKVRPTWSX-MRVPVSSYSA-N -1 3 325.323 2.496 20 30 EEEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@@H](CC#N)C1 ZINC001603583625 1350724410 /nfs/dbraw/zinc/72/44/10/1350724410.db2.gz ZNMYPJSNPVVGDL-HIFRSBDPSA-N -1 3 338.415 2.198 20 30 EEEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H](CC#N)C1 ZINC001603583625 1350724415 /nfs/dbraw/zinc/72/44/15/1350724415.db2.gz ZNMYPJSNPVVGDL-HIFRSBDPSA-N -1 3 338.415 2.198 20 30 EEEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@@H](CC#N)C1 ZINC001603583630 1350724776 /nfs/dbraw/zinc/72/47/76/1350724776.db2.gz ZNMYPJSNPVVGDL-ZFWWWQNUSA-N -1 3 338.415 2.198 20 30 EEEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H](CC#N)C1 ZINC001603583630 1350724778 /nfs/dbraw/zinc/72/47/78/1350724778.db2.gz ZNMYPJSNPVVGDL-ZFWWWQNUSA-N -1 3 338.415 2.198 20 30 EEEDHM C[C@@H]1C[C@@H](NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)C[C@H](C)O1 ZINC001603861918 1350785805 /nfs/dbraw/zinc/78/58/05/1350785805.db2.gz OLSWJGYYJGBFOK-GNXNZQSNSA-N -1 3 339.403 2.228 20 30 EEEDHM C[C@@H]1C[C@@H](NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)C[C@H](C)O1 ZINC001603861918 1350785809 /nfs/dbraw/zinc/78/58/09/1350785809.db2.gz OLSWJGYYJGBFOK-GNXNZQSNSA-N -1 3 339.403 2.228 20 30 EEEDHM CC[C@H](C)[C@@H](C)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603999322 1350825556 /nfs/dbraw/zinc/82/55/56/1350825556.db2.gz WHLYKAIMKVBSOT-YWPYICTPSA-N -1 3 326.404 2.100 20 30 EEEDHM COc1ccc(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)cc1-c1nnn[n-]1 ZINC001605298196 1351129063 /nfs/dbraw/zinc/12/90/63/1351129063.db2.gz JICIRFUUFOJKDC-QWRGUYRKSA-N -1 3 341.375 2.079 20 30 EEEDHM COc1ccc(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)cc1-c1nn[n-]n1 ZINC001605298196 1351129067 /nfs/dbraw/zinc/12/90/67/1351129067.db2.gz JICIRFUUFOJKDC-QWRGUYRKSA-N -1 3 341.375 2.079 20 30 EEEDHM Cc1cc(C(=O)N(C)[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ncc1C#N ZINC001605588485 1351195504 /nfs/dbraw/zinc/19/55/04/1351195504.db2.gz HAGNFCDWQYKRAC-LBPRGKRZSA-N -1 3 347.382 2.275 20 30 EEEDHM Cc1cc(C(=O)N(C)[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ncc1C#N ZINC001605588485 1351195507 /nfs/dbraw/zinc/19/55/07/1351195507.db2.gz 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FKUXTINPDDDEOA-UHFFFAOYSA-N -1 3 332.367 2.285 20 30 EEEDHM Cc1ccc(CNC(=O)Cc2ccccc2CC#N)cc1-c1nnn[n-]1 ZINC001581196831 1344596399 /nfs/dbraw/zinc/59/63/99/1344596399.db2.gz OGUSJQWUZDOGGW-UHFFFAOYSA-N -1 3 346.394 2.100 20 30 EEEDHM Cc1ccc(CNC(=O)Cc2ccccc2CC#N)cc1-c1nn[n-]n1 ZINC001581196831 1344596404 /nfs/dbraw/zinc/59/64/04/1344596404.db2.gz OGUSJQWUZDOGGW-UHFFFAOYSA-N -1 3 346.394 2.100 20 30 EEEDHM N#C[C@@]1(F)CCN(c2cc(Br)ccc2-c2nn[n-]n2)C1 ZINC001581856997 1344678701 /nfs/dbraw/zinc/67/87/01/1344678701.db2.gz LZFHQKRELJOORR-LBPRGKRZSA-N -1 3 337.156 2.071 20 30 EEEDHM N#C[C@@]1(F)CCN(c2cc(Br)ccc2-c2nnn[n-]2)C1 ZINC001581856997 1344678694 /nfs/dbraw/zinc/67/86/94/1344678694.db2.gz LZFHQKRELJOORR-LBPRGKRZSA-N -1 3 337.156 2.071 20 30 EEEDHM N#C[C@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001581860415 1344680396 /nfs/dbraw/zinc/68/03/96/1344680396.db2.gz ZEIWPGZALUURAM-BXUZGUMPSA-N -1 3 347.338 2.152 20 30 EEEDHM N#Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2NC2CC2)co1 ZINC001581864772 1344681484 /nfs/dbraw/zinc/68/14/84/1344681484.db2.gz NGSKPFDYVIWSFA-UHFFFAOYSA-N -1 3 335.327 2.158 20 30 EEEDHM N#Cc1cc(C(=O)N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)co1 ZINC001581865165 1344681600 /nfs/dbraw/zinc/68/16/00/1344681600.db2.gz DKFSJKIYMVBMPY-OAHLLOKOSA-N -1 3 334.339 2.139 20 30 EEEDHM N#Cc1cc(C(=O)N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)co1 ZINC001581865165 1344681603 /nfs/dbraw/zinc/68/16/03/1344681603.db2.gz DKFSJKIYMVBMPY-OAHLLOKOSA-N -1 3 334.339 2.139 20 30 EEEDHM N#Cc1cccc(NC2CN(c3cccc(F)c3-c3nnn[n-]3)C2)c1 ZINC001581875537 1344684184 /nfs/dbraw/zinc/68/41/84/1344684184.db2.gz CSEQVTUVEMOBEN-UHFFFAOYSA-N -1 3 335.346 2.178 20 30 EEEDHM N#Cc1cccc(NC2CN(c3cccc(F)c3-c3nn[n-]n3)C2)c1 ZINC001581875537 1344684188 /nfs/dbraw/zinc/68/41/88/1344684188.db2.gz CSEQVTUVEMOBEN-UHFFFAOYSA-N -1 3 335.346 2.178 20 30 EEEDHM Brc1cncc(C=NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588324818 1348887423 /nfs/dbraw/zinc/88/74/23/1348887423.db2.gz KNWCXNGLXKDBAV-UHFFFAOYSA-N -1 3 344.176 2.470 20 30 EEEDHM C#CC[C@H](COC)Nc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588334244 1348891361 /nfs/dbraw/zinc/89/13/61/1348891361.db2.gz REIJHGUDTWLQJD-SNVBAGLBSA-N -1 3 325.294 2.336 20 30 EEEDHM C#CC[C@H](COC)Nc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588334244 1348891362 /nfs/dbraw/zinc/89/13/62/1348891362.db2.gz REIJHGUDTWLQJD-SNVBAGLBSA-N -1 3 325.294 2.336 20 30 EEEDHM C#Cc1ccc(CNC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588373611 1348896379 /nfs/dbraw/zinc/89/63/79/1348896379.db2.gz OHMNAWNZEFPELN-CYBMUJFWSA-N -1 3 346.394 2.408 20 30 EEEDHM C#Cc1ccc(CNC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588373611 1348896384 /nfs/dbraw/zinc/89/63/84/1348896384.db2.gz OHMNAWNZEFPELN-CYBMUJFWSA-N -1 3 346.394 2.408 20 30 EEEDHM C#Cc1cccc(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC001588374772 1348897298 /nfs/dbraw/zinc/89/72/98/1348897298.db2.gz NIGDCRWYGUYEOL-UHFFFAOYSA-N -1 3 336.330 2.309 20 30 EEEDHM C#Cc1cccc(CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC001588374772 1348897303 /nfs/dbraw/zinc/89/73/03/1348897303.db2.gz NIGDCRWYGUYEOL-UHFFFAOYSA-N -1 3 336.330 2.309 20 30 EEEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1nccn1-c1ccccc1 ZINC001588381713 1348899372 /nfs/dbraw/zinc/89/93/72/1348899372.db2.gz QPQDKUMFVXELMB-UHFFFAOYSA-N -1 3 330.355 2.498 20 30 EEEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1nccn1-c1ccccc1 ZINC001588381713 1348899377 /nfs/dbraw/zinc/89/93/77/1348899377.db2.gz QPQDKUMFVXELMB-UHFFFAOYSA-N -1 3 330.355 2.498 20 30 EEEDHM C=C(C)C(C)(C)C(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588397199 1348900245 /nfs/dbraw/zinc/90/02/45/1348900245.db2.gz ZWLASHJONHZRAE-GFCCVEGCSA-N -1 3 343.435 2.028 20 30 EEEDHM C=C(C)C(C)(C)C(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588397199 1348900248 /nfs/dbraw/zinc/90/02/48/1348900248.db2.gz ZWLASHJONHZRAE-GFCCVEGCSA-N -1 3 343.435 2.028 20 30 EEEDHM C=C(C)C(C)(C)C(=O)NC[C@@H](CC)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001588396687 1348900624 /nfs/dbraw/zinc/90/06/24/1348900624.db2.gz NKLCFBMEUDVTCK-GFCCVEGCSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C(C)C(C)(C)C(=O)NC[C@@H](CC)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001588396687 1348900627 /nfs/dbraw/zinc/90/06/27/1348900627.db2.gz NKLCFBMEUDVTCK-GFCCVEGCSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C(C)CCc1noc(COc2ccc(-c3nnn[n-]3)cc2OC)n1 ZINC001588425764 1348904142 /nfs/dbraw/zinc/90/41/42/1348904142.db2.gz TTWFDRXHYDJQMQ-UHFFFAOYSA-N -1 3 342.359 2.346 20 30 EEEDHM C=C(C)CCc1noc(COc2ccc(-c3nn[n-]n3)cc2OC)n1 ZINC001588425764 1348904145 /nfs/dbraw/zinc/90/41/45/1348904145.db2.gz TTWFDRXHYDJQMQ-UHFFFAOYSA-N -1 3 342.359 2.346 20 30 EEEDHM C=C1CN(C(=O)N[C@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)C1 ZINC001588462361 1348907070 /nfs/dbraw/zinc/90/70/70/1348907070.db2.gz DZYPUVKKSFCZLN-LLVKDONJSA-N -1 3 338.293 2.052 20 30 EEEDHM C=C1CN(C(=O)N[C@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)C1 ZINC001588462361 1348907072 /nfs/dbraw/zinc/90/70/72/1348907072.db2.gz DZYPUVKKSFCZLN-LLVKDONJSA-N -1 3 338.293 2.052 20 30 EEEDHM C=CC(C)(C)CC(=O)NC[C@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588483463 1348908378 /nfs/dbraw/zinc/90/83/78/1348908378.db2.gz LAHQHTOVLAOJCK-VIFPVBQESA-N -1 3 349.464 2.151 20 30 EEEDHM C=C[C@](C)(O)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC001588499860 1348910030 /nfs/dbraw/zinc/91/00/30/1348910030.db2.gz NWHPIFMAJRVCNO-SFHVURJKSA-N -1 3 343.431 2.178 20 30 EEEDHM C=C[C@](C)(O)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC001588499860 1348910034 /nfs/dbraw/zinc/91/00/34/1348910034.db2.gz NWHPIFMAJRVCNO-SFHVURJKSA-N -1 3 343.431 2.178 20 30 EEEDHM C=C[C@H](CC)CC(=O)NCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588523876 1348912806 /nfs/dbraw/zinc/91/28/06/1348912806.db2.gz MUMJQYQYRNKTPX-CHWSQXEVSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@H](CC)CC(=O)NCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588523876 1348912809 /nfs/dbraw/zinc/91/28/09/1348912809.db2.gz MUMJQYQYRNKTPX-CHWSQXEVSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCC(C)(C)C(=O)NC[C@@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001588532796 1348914760 /nfs/dbraw/zinc/91/47/60/1348914760.db2.gz GESHLZUBRBXWFL-LBPRGKRZSA-N -1 3 343.435 2.028 20 30 EEEDHM C=CCC(C)(C)C(=O)NC[C@@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001588532796 1348914764 /nfs/dbraw/zinc/91/47/64/1348914764.db2.gz GESHLZUBRBXWFL-LBPRGKRZSA-N -1 3 343.435 2.028 20 30 EEEDHM C=CC[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2OC)C1 ZINC001588564038 1348918063 /nfs/dbraw/zinc/91/80/63/1348918063.db2.gz IFLQLGFPXDOVQM-LLVKDONJSA-N -1 3 328.376 2.305 20 30 EEEDHM C=CC[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC001588564038 1348918066 /nfs/dbraw/zinc/91/80/66/1348918066.db2.gz IFLQLGFPXDOVQM-LLVKDONJSA-N -1 3 328.376 2.305 20 30 EEEDHM C=CCC[C@H](O)CN[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001588579191 1348920131 /nfs/dbraw/zinc/92/01/31/1348920131.db2.gz KEUWRUQGYAEIRK-QWHCGFSZSA-N -1 3 341.337 2.387 20 30 EEEDHM C=CCC[C@H](O)CN[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001588579191 1348920135 /nfs/dbraw/zinc/92/01/35/1348920135.db2.gz KEUWRUQGYAEIRK-QWHCGFSZSA-N -1 3 341.337 2.387 20 30 EEEDHM C=CCCOCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001588610734 1348923621 /nfs/dbraw/zinc/92/36/21/1348923621.db2.gz LSKNMQZWASJZFJ-UHFFFAOYSA-N -1 3 329.404 2.196 20 30 EEEDHM C=CCCOCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001588610734 1348923624 /nfs/dbraw/zinc/92/36/24/1348923624.db2.gz LSKNMQZWASJZFJ-UHFFFAOYSA-N -1 3 329.404 2.196 20 30 EEEDHM C=CCN(CC=C)C(=O)CSc1ccc(C)cc1-c1nnn[n-]1 ZINC001588632349 1348924944 /nfs/dbraw/zinc/92/49/44/1348924944.db2.gz VRVMQCSIPYPKAM-UHFFFAOYSA-N -1 3 329.429 2.468 20 30 EEEDHM C=CCN(CC=C)C(=O)CSc1ccc(C)cc1-c1nn[n-]n1 ZINC001588632349 1348924948 /nfs/dbraw/zinc/92/49/48/1348924948.db2.gz VRVMQCSIPYPKAM-UHFFFAOYSA-N -1 3 329.429 2.468 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)c1nnc(C(F)F)n1C ZINC001588652191 1348926908 /nfs/dbraw/zinc/92/69/08/1348926908.db2.gz NRXWOBUEQDQKNP-UHFFFAOYSA-N -1 3 346.345 2.125 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)c1nnc(C(F)F)n1C ZINC001588652191 1348926910 /nfs/dbraw/zinc/92/69/10/1348926910.db2.gz NRXWOBUEQDQKNP-UHFFFAOYSA-N -1 3 346.345 2.125 20 30 EEEDHM C=CCNc1nc(C(=O)OCc2ccccc2-c2nnn[n-]2)cs1 ZINC001588663111 1348927924 /nfs/dbraw/zinc/92/79/24/1348927924.db2.gz GETDDLLZTOHHLU-UHFFFAOYSA-N -1 3 342.384 2.278 20 30 EEEDHM C=CCNc1nc(C(=O)OCc2ccccc2-c2nn[n-]n2)cs1 ZINC001588663111 1348927927 /nfs/dbraw/zinc/92/79/27/1348927927.db2.gz GETDDLLZTOHHLU-UHFFFAOYSA-N -1 3 342.384 2.278 20 30 EEEDHM CC(=O)c1ccc(C#N)c(NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588912199 1348947498 /nfs/dbraw/zinc/94/74/98/1348947498.db2.gz OYPIFVMFAJUWCT-UHFFFAOYSA-N -1 3 348.366 2.432 20 30 EEEDHM CC(C)(CC#N)CNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001589266780 1348977085 /nfs/dbraw/zinc/97/70/85/1348977085.db2.gz AIYYOTYBTQEBSN-UHFFFAOYSA-N -1 3 344.444 2.156 20 30 EEEDHM CC(C)(CC#N)CNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001589266780 1348977090 /nfs/dbraw/zinc/97/70/90/1348977090.db2.gz AIYYOTYBTQEBSN-UHFFFAOYSA-N -1 3 344.444 2.156 20 30 EEEDHM CC(C)CN(CCC#N)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC001589619298 1349012558 /nfs/dbraw/zinc/01/25/58/1349012558.db2.gz FZZNIPRCPMHIHK-UHFFFAOYSA-N -1 3 329.433 2.435 20 30 EEEDHM CC(C)CN(CCC#N)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC001589619298 1349012562 /nfs/dbraw/zinc/01/25/62/1349012562.db2.gz FZZNIPRCPMHIHK-UHFFFAOYSA-N -1 3 329.433 2.435 20 30 EEEDHM C[C@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590005675 1349102664 /nfs/dbraw/zinc/10/26/64/1349102664.db2.gz NGOUSTSUOXTMQD-MEDUHNTESA-N -1 3 349.350 2.076 20 30 EEEDHM C[C@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590005675 1349102670 /nfs/dbraw/zinc/10/26/70/1349102670.db2.gz NGOUSTSUOXTMQD-MEDUHNTESA-N -1 3 349.350 2.076 20 30 EEEDHM CC1(C#N)CCN(C(=O)c2ccc3c(c2)[nH]cc3-c2nnn[n-]2)CC1 ZINC001590055849 1349134558 /nfs/dbraw/zinc/13/45/58/1349134558.db2.gz WSBHVBAMYGYJEU-UHFFFAOYSA-N -1 3 335.371 2.114 20 30 EEEDHM CC1(C#N)CCN(C(=O)c2ccc3c(c2)[nH]cc3-c2nn[n-]n2)CC1 ZINC001590055849 1349134564 /nfs/dbraw/zinc/13/45/64/1349134564.db2.gz WSBHVBAMYGYJEU-UHFFFAOYSA-N -1 3 335.371 2.114 20 30 EEEDHM 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326.312 2.145 20 30 EEEDHM CSCCNC(=S)NN=Cc1c([O-])cccc1Br ZINC000863104290 1296116316 /nfs/dbraw/zinc/11/63/16/1296116316.db2.gz ABALABBIWGHWKP-UHFFFAOYSA-N -1 3 348.291 2.316 20 30 EEEDHM CC(C)(C)OC(=O)N1C[C@H](F)[C@@H](O/C(=N\[O-])c2ccccn2)C1 ZINC001223976824 1300361198 /nfs/dbraw/zinc/36/11/98/1300361198.db2.gz AGFPAPRPLHUIGX-IIAHFZBSSA-N -1 3 325.340 2.191 20 30 EEEDHM O=C1O[C@@H](CO/C(=N\[O-])c2ccccn2)CN1c1cccc(F)c1 ZINC001223976901 1300361738 /nfs/dbraw/zinc/36/17/38/1300361738.db2.gz BFUUURAWCQLBNF-YSYRGXBVSA-N -1 3 331.303 2.399 20 30 EEEDHM C=C[C@H](Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O)C(=O)OC ZINC001226380065 1301387676 /nfs/dbraw/zinc/38/76/76/1301387676.db2.gz NCIDTFZQFAZSAB-ZDUSSCGKSA-N -1 3 338.315 2.274 20 30 EEEDHM N#Cc1ccc(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000782027018 1303929433 /nfs/dbraw/zinc/92/94/33/1303929433.db2.gz YSWROQOCPSQYBA-UHFFFAOYSA-N -1 3 332.266 2.270 20 30 EEEDHM CCOC(=O)CN(CCC#N)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232267379 1304058689 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C#CCN(Cc1cccc(-c2nnn[n-]2)n1)[C@H]1CCc2ccccc21 ZINC001588351651 1348893921 /nfs/dbraw/zinc/89/39/21/1348893921.db2.gz DCDNVUCUYAFWFS-SFHVURJKSA-N -1 3 330.395 2.384 20 30 EEEDHM C#CCN1C(=O)c2ccccc2N[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001588351915 1348895204 /nfs/dbraw/zinc/89/52/04/1348895204.db2.gz PLPYOIMQOBVFBG-QGZVFWFLSA-N -1 3 330.351 2.066 20 30 EEEDHM C#CCN1C(=O)c2ccccc2N[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001588351915 1348895208 /nfs/dbraw/zinc/89/52/08/1348895208.db2.gz PLPYOIMQOBVFBG-QGZVFWFLSA-N -1 3 330.351 2.066 20 30 EEEDHM C=C(C)CCNC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001588424846 1348904446 /nfs/dbraw/zinc/90/44/46/1348904446.db2.gz OMTDRXIUTRTVTQ-HNNXBMFYSA-N -1 3 329.404 2.353 20 30 EEEDHM C=C(C)CCNC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001588424846 1348904448 /nfs/dbraw/zinc/90/44/48/1348904448.db2.gz OMTDRXIUTRTVTQ-HNNXBMFYSA-N -1 3 329.404 2.353 20 30 EEEDHM C=C1CN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C1 ZINC001588462370 1348907380 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NCYHGIAVGGUEFC-KTKRTIGZSA-N -1 3 331.335 2.495 20 30 EEEDHM N#Cc1ccccc1C=CC(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC001609500268 1351999765 /nfs/dbraw/zinc/99/97/65/1351999765.db2.gz NCYHGIAVGGUEFC-KTKRTIGZSA-N -1 3 331.335 2.495 20 30 EEEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCCC(F)(F)C1 ZINC001339068025 1336953316 /nfs/dbraw/zinc/95/33/16/1336953316.db2.gz FORDRSGHACFRDI-UHFFFAOYSA-N -1 3 336.346 2.171 20 30 EEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H](OCC2CC2)C1 ZINC001340502384 1337198129 /nfs/dbraw/zinc/19/81/29/1337198129.db2.gz RROGLZIURWLAAC-ZDUSSCGKSA-N -1 3 345.403 2.220 20 30 EEEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001346356677 1337483322 /nfs/dbraw/zinc/48/33/22/1337483322.db2.gz WVMOVYJKSJPVFP-NEPJUHHUSA-N -1 3 346.460 2.347 20 30 EEEDHM COc1ccc(NC(=O)c2cscc2-c2nnn[n-]2)cc1C#N ZINC001580044079 1344457094 /nfs/dbraw/zinc/45/70/94/1344457094.db2.gz UEUFKUYBICFTIH-UHFFFAOYSA-N -1 3 326.341 2.061 20 30 EEEDHM COc1ccc(NC(=O)c2cscc2-c2nn[n-]n2)cc1C#N ZINC001580044079 1344457098 /nfs/dbraw/zinc/45/70/98/1344457098.db2.gz UEUFKUYBICFTIH-UHFFFAOYSA-N -1 3 326.341 2.061 20 30 EEEDHM CSc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)co1 ZINC001580230287 1344494846 /nfs/dbraw/zinc/49/48/46/1344494846.db2.gz BDFVEDURAPCJMM-UHFFFAOYSA-N -1 3 326.341 2.306 20 30 EEEDHM CSc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)co1 ZINC001580230287 1344494851 /nfs/dbraw/zinc/49/48/51/1344494851.db2.gz BDFVEDURAPCJMM-UHFFFAOYSA-N -1 3 326.341 2.306 20 30 EEEDHM N#CCc1ccccc1C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001581859397 1344680155 /nfs/dbraw/zinc/68/01/55/1344680155.db2.gz GBLNQGAKUVPXRL-UHFFFAOYSA-N -1 3 336.330 2.002 20 30 EEEDHM N#CCc1ccccc1C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001581859397 1344680159 /nfs/dbraw/zinc/68/01/59/1344680159.db2.gz GBLNQGAKUVPXRL-UHFFFAOYSA-N -1 3 336.330 2.002 20 30 EEEDHM N#Cc1cc(F)ccc1NC(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001581866574 1344682579 /nfs/dbraw/zinc/68/25/79/1344682579.db2.gz KFGVOZKOXAONHN-UHFFFAOYSA-N -1 3 326.266 2.269 20 30 EEEDHM N#Cc1cc(F)ccc1NC(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001581866574 1344682582 /nfs/dbraw/zinc/68/25/82/1344682582.db2.gz KFGVOZKOXAONHN-UHFFFAOYSA-N -1 3 326.266 2.269 20 30 EEEDHM C#C[C@H](NC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC001588327662 1348886384 /nfs/dbraw/zinc/88/63/84/1348886384.db2.gz OHNDPBBDRCRPOM-KRWDZBQOSA-N -1 3 343.390 2.389 20 30 EEEDHM C#C[C@H](NC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC001588327662 1348886389 /nfs/dbraw/zinc/88/63/89/1348886389.db2.gz OHNDPBBDRCRPOM-KRWDZBQOSA-N -1 3 343.390 2.389 20 30 EEEDHM C#C[C@H](CCC)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001588327675 1348886811 /nfs/dbraw/zinc/88/68/11/1348886811.db2.gz OLTUZCODEXPCLY-OAHLLOKOSA-N -1 3 341.415 2.334 20 30 EEEDHM C#C[C@H](CCC)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001588327675 1348886825 /nfs/dbraw/zinc/88/68/25/1348886825.db2.gz OLTUZCODEXPCLY-OAHLLOKOSA-N -1 3 341.415 2.334 20 30 EEEDHM C#C[C@@H](NC(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c12)c1ccccc1 ZINC001588329570 1348887929 /nfs/dbraw/zinc/88/79/29/1348887929.db2.gz JLLVXLANKYYRNS-OAHLLOKOSA-N -1 3 342.362 2.452 20 30 EEEDHM C#C[C@@H](NC(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c12)c1ccccc1 ZINC001588329570 1348887932 /nfs/dbraw/zinc/88/79/32/1348887932.db2.gz JLLVXLANKYYRNS-OAHLLOKOSA-N -1 3 342.362 2.452 20 30 EEEDHM C#CC[C@H](COC)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001588334142 1348891100 /nfs/dbraw/zinc/89/11/00/1348891100.db2.gz PHNPJNBQHMCTSL-SNVBAGLBSA-N -1 3 325.294 2.336 20 30 EEEDHM C#Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC001588374012 1348897036 /nfs/dbraw/zinc/89/70/36/1348897036.db2.gz YHXVFWABDPNHKC-UHFFFAOYSA-N -1 3 337.770 2.431 20 30 EEEDHM C#Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC001588374012 1348897041 /nfs/dbraw/zinc/89/70/41/1348897041.db2.gz YHXVFWABDPNHKC-UHFFFAOYSA-N -1 3 337.770 2.431 20 30 EEEDHM C#Cc1cccc(CNC(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)c1 ZINC001588374807 1348897512 /nfs/dbraw/zinc/89/75/12/1348897512.db2.gz OYHWDFSRBPTDIF-UHFFFAOYSA-N -1 3 342.362 2.259 20 30 EEEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1nnc(CC)c(CC)c1-c1nnn[n-]1 ZINC001588400834 1348900223 /nfs/dbraw/zinc/90/02/23/1348900223.db2.gz HJEJBFFPQTTZMD-IAQYHMDHSA-N -1 3 343.435 2.175 20 30 EEEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1nnc(CC)c(CC)c1-c1nn[n-]n1 ZINC001588400834 1348900226 /nfs/dbraw/zinc/90/02/26/1348900226.db2.gz HJEJBFFPQTTZMD-IAQYHMDHSA-N -1 3 343.435 2.175 20 30 EEEDHM C=C(C)C[C@@H](C)C(=O)O[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC001588404285 1348900885 /nfs/dbraw/zinc/90/08/85/1348900885.db2.gz GXIPUVXNNSOQBY-BXUZGUMPSA-N -1 3 344.371 2.226 20 30 EEEDHM C=C(C)C[C@@H](C)C(=O)O[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC001588404285 1348900890 /nfs/dbraw/zinc/90/08/90/1348900890.db2.gz GXIPUVXNNSOQBY-BXUZGUMPSA-N -1 3 344.371 2.226 20 30 EEEDHM C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588416336 1348903003 /nfs/dbraw/zinc/90/30/03/1348903003.db2.gz USQZQYWNYYOVFY-STQMWFEESA-N -1 3 343.435 2.313 20 30 EEEDHM C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588416336 1348903009 /nfs/dbraw/zinc/90/30/09/1348903009.db2.gz USQZQYWNYYOVFY-STQMWFEESA-N -1 3 343.435 2.313 20 30 EEEDHM C=C(C)CCC(=O)N[C@@H](C)CCCNc1ccc(-c2nnn[n-]2)cn1 ZINC001588416360 1348903048 /nfs/dbraw/zinc/90/30/48/1348903048.db2.gz VNXKKXPJODZIGU-ZDUSSCGKSA-N -1 3 343.435 2.315 20 30 EEEDHM C=C(C)CCC(=O)N[C@@H](C)CCCNc1ccc(-c2nn[n-]n2)cn1 ZINC001588416360 1348903051 /nfs/dbraw/zinc/90/30/51/1348903051.db2.gz VNXKKXPJODZIGU-ZDUSSCGKSA-N -1 3 343.435 2.315 20 30 EEEDHM C=C(C)CN(C)C(=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001588425526 1348903994 /nfs/dbraw/zinc/90/39/94/1348903994.db2.gz HOXTZTHFKWOEDC-UHFFFAOYSA-N -1 3 336.193 2.277 20 30 EEEDHM C=C(C)CN(C)C(=O)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001588425526 1348903997 /nfs/dbraw/zinc/90/39/97/1348903997.db2.gz HOXTZTHFKWOEDC-UHFFFAOYSA-N -1 3 336.193 2.277 20 30 EEEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001588456630 1348905748 /nfs/dbraw/zinc/90/57/48/1348905748.db2.gz RPXJYLOQNHISQV-AOOOYVTPSA-N -1 3 330.779 2.238 20 30 EEEDHM C=CC(C)(C)CC(=O)NC[C@@H](CC)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001588483699 1348908567 /nfs/dbraw/zinc/90/85/67/1348908567.db2.gz PFQJCJCFTOOELE-GFCCVEGCSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CC(C)(C)CC(=O)NC[C@@H](CC)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001588483699 1348908570 /nfs/dbraw/zinc/90/85/70/1348908570.db2.gz PFQJCJCFTOOELE-GFCCVEGCSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588545312 1348914661 /nfs/dbraw/zinc/91/46/61/1348914661.db2.gz FDOFUPDHGOWIDM-HNNXBMFYSA-N -1 3 348.410 2.487 20 30 EEEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588545312 1348914664 /nfs/dbraw/zinc/91/46/64/1348914664.db2.gz FDOFUPDHGOWIDM-HNNXBMFYSA-N -1 3 348.410 2.487 20 30 EEEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588545226 1348914914 /nfs/dbraw/zinc/91/49/14/1348914914.db2.gz AVCAAPSVXNJQRZ-HNNXBMFYSA-N -1 3 348.410 2.487 20 30 EEEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588545226 1348914918 /nfs/dbraw/zinc/91/49/18/1348914918.db2.gz AVCAAPSVXNJQRZ-HNNXBMFYSA-N -1 3 348.410 2.487 20 30 EEEDHM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001588564926 1348918098 /nfs/dbraw/zinc/91/80/98/1348918098.db2.gz UYBQFASULMHGSB-HNNXBMFYSA-N -1 3 339.399 2.315 20 30 EEEDHM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001588564926 1348918105 /nfs/dbraw/zinc/91/81/05/1348918105.db2.gz UYBQFASULMHGSB-HNNXBMFYSA-N -1 3 339.399 2.315 20 30 EEEDHM C=CCCCC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588594020 1348922143 /nfs/dbraw/zinc/92/21/43/1348922143.db2.gz JWHXSADYEDNXQT-TXEJJXNPSA-N -1 3 344.394 2.421 20 30 EEEDHM C=CCCCC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588594020 1348922147 /nfs/dbraw/zinc/92/21/47/1348922147.db2.gz JWHXSADYEDNXQT-TXEJJXNPSA-N -1 3 344.394 2.421 20 30 EEEDHM C=CCN(CC=C)C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001588628016 1348924257 /nfs/dbraw/zinc/92/42/57/1348924257.db2.gz NXTVSKSOSNWZOF-UHFFFAOYSA-N -1 3 327.388 2.225 20 30 EEEDHM C=CCN(CC=C)C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588628016 1348924260 /nfs/dbraw/zinc/92/42/60/1348924260.db2.gz NXTVSKSOSNWZOF-UHFFFAOYSA-N -1 3 327.388 2.225 20 30 EEEDHM C=CCN1CC[C@H](N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001588655227 1348928312 /nfs/dbraw/zinc/92/83/12/1348928312.db2.gz ZLUIYUHGJKOYGT-INIZCTEOSA-N -1 3 340.431 2.116 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC001588718202 1348930732 /nfs/dbraw/zinc/93/07/32/1348930732.db2.gz BDQONHCZRLJWHI-YPMHNXCESA-N -1 3 333.779 2.074 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC001588718202 1348930739 /nfs/dbraw/zinc/93/07/39/1348930739.db2.gz BDQONHCZRLJWHI-YPMHNXCESA-N -1 3 333.779 2.074 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC001588726294 1348931103 /nfs/dbraw/zinc/93/11/03/1348931103.db2.gz YCKNTISCMAOWTN-MNOVXSKESA-N -1 3 333.417 2.329 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC001588726294 1348931106 /nfs/dbraw/zinc/93/11/06/1348931106.db2.gz YCKNTISCMAOWTN-MNOVXSKESA-N -1 3 333.417 2.329 20 30 EEEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588718572 1348931183 /nfs/dbraw/zinc/93/11/83/1348931183.db2.gz NKZZIKRDPPCDLB-OLZOCXBDSA-N -1 3 348.794 2.375 20 30 EEEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588718572 1348931185 /nfs/dbraw/zinc/93/11/85/1348931185.db2.gz NKZZIKRDPPCDLB-OLZOCXBDSA-N -1 3 348.794 2.375 20 30 EEEDHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1ccc(CC#N)cc1 ZINC001588893899 1348942834 /nfs/dbraw/zinc/94/28/34/1348942834.db2.gz WALYEOBJPVONOG-UHFFFAOYSA-N -1 3 346.350 2.388 20 30 EEEDHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1ccc(CC#N)cc1 ZINC001588893899 1348942837 /nfs/dbraw/zinc/94/28/37/1348942837.db2.gz WALYEOBJPVONOG-UHFFFAOYSA-N -1 3 346.350 2.388 20 30 EEEDHM CC(C)(C)n1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)nn1 ZINC001589258579 1348975493 /nfs/dbraw/zinc/97/54/93/1348975493.db2.gz GPTZGASJSJUIAA-ALCCZGGFSA-N -1 3 341.350 2.248 20 30 EEEDHM CC(C)(C)n1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)nn1 ZINC001589258579 1348975497 /nfs/dbraw/zinc/97/54/97/1348975497.db2.gz GPTZGASJSJUIAA-ALCCZGGFSA-N -1 3 341.350 2.248 20 30 EEEDHM C[C@H](CC#N)N(C)C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001589787606 1349042997 /nfs/dbraw/zinc/04/29/97/1349042997.db2.gz LWGCJHUYQQXEJJ-CYBMUJFWSA-N -1 3 338.415 2.439 20 30 EEEDHM C[C@H](CC#N)N(C)C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001589787606 1349043002 /nfs/dbraw/zinc/04/30/02/1349043002.db2.gz LWGCJHUYQQXEJJ-CYBMUJFWSA-N -1 3 338.415 2.439 20 30 EEEDHM CCC[C@@H](C#N)NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001590539106 1349366264 /nfs/dbraw/zinc/36/62/64/1349366264.db2.gz YLLQJAIXSDXSBR-HNNXBMFYSA-N -1 3 338.415 2.487 20 30 EEEDHM CCC[C@@H](C#N)NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001590539106 1349366269 /nfs/dbraw/zinc/36/62/69/1349366269.db2.gz YLLQJAIXSDXSBR-HNNXBMFYSA-N -1 3 338.415 2.487 20 30 EEEDHM CCCCCCCC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001590592704 1349375717 /nfs/dbraw/zinc/37/57/17/1349375717.db2.gz FOEJGUCRMZYPPE-CYBMUJFWSA-N -1 3 334.424 2.036 20 30 EEEDHM CCCCCCCC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001590592704 1349375722 /nfs/dbraw/zinc/37/57/22/1349375722.db2.gz FOEJGUCRMZYPPE-CYBMUJFWSA-N -1 3 334.424 2.036 20 30 EEEDHM CCN(CC)c1ncc(C=[NH+][N-]c2ccc(-c3nnn[n-]3)cn2)s1 ZINC001590689220 1349389606 /nfs/dbraw/zinc/38/96/06/1349389606.db2.gz PMSANQHESKGLMW-UHFFFAOYSA-N -1 3 343.420 2.010 20 30 EEEDHM CCN(CC)c1ncc(C=[NH+][N-]c2ccc(-c3nn[n-]n3)cn2)s1 ZINC001590689220 1349389611 /nfs/dbraw/zinc/38/96/11/1349389611.db2.gz PMSANQHESKGLMW-UHFFFAOYSA-N -1 3 343.420 2.010 20 30 EEEDHM CCc1nnc(NCCc2ccc(C#N)cc2)c(-c2nnn[n-]2)c1CC ZINC001590932990 1349420399 /nfs/dbraw/zinc/42/03/99/1349420399.db2.gz VJXNMXMAMPNTHJ-UHFFFAOYSA-N -1 3 348.414 2.308 20 30 EEEDHM CCc1nnc(NCCc2ccc(C#N)cc2)c(-c2nn[n-]n2)c1CC ZINC001590932990 1349420406 /nfs/dbraw/zinc/42/04/06/1349420406.db2.gz VJXNMXMAMPNTHJ-UHFFFAOYSA-N -1 3 348.414 2.308 20 30 EEEDHM COC(=O)c1cccc(NN=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC001591303156 1349457968 /nfs/dbraw/zinc/45/79/68/1349457968.db2.gz QHGVJJAPZCYUPX-UHFFFAOYSA-N -1 3 328.357 2.161 20 30 EEEDHM COc1ccc(O)c(C=NCc2ccc(-c3nnn[n-]3)c(OC)c2)c1 ZINC001591619335 1349517306 /nfs/dbraw/zinc/51/73/06/1349517306.db2.gz WNVNBHGLBVAOON-VCHYOVAHSA-N -1 3 339.355 2.209 20 30 EEEDHM COc1ccc(O)c(C=NCc2ccc(-c3nn[n-]n3)c(OC)c2)c1 ZINC001591619335 1349517312 /nfs/dbraw/zinc/51/73/12/1349517312.db2.gz WNVNBHGLBVAOON-VCHYOVAHSA-N -1 3 339.355 2.209 20 30 EEEDHM Cc1nn(C)c(Cl)c1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001592431249 1349631218 /nfs/dbraw/zinc/63/12/18/1349631218.db2.gz MVZVHAJWSZCZBQ-XFFZJAGNSA-N -1 3 340.774 2.384 20 30 EEEDHM Cc1nn(C)c(Cl)c1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001592431249 1349631225 /nfs/dbraw/zinc/63/12/25/1349631225.db2.gz MVZVHAJWSZCZBQ-XFFZJAGNSA-N -1 3 340.774 2.384 20 30 EEEDHM NC(=NOCc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(Cl)cc1 ZINC001592711063 1349709780 /nfs/dbraw/zinc/70/97/80/1349709780.db2.gz GRHHVVIXMNRGQP-UHFFFAOYSA-N -1 3 346.753 2.496 20 30 EEEDHM NC(=NOCc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(Cl)cc1 ZINC001592711063 1349709783 /nfs/dbraw/zinc/70/97/83/1349709783.db2.gz GRHHVVIXMNRGQP-UHFFFAOYSA-N -1 3 346.753 2.496 20 30 EEEDHM c1cc(-c2nnn[n-]2)ccc1CCON=C1CCC2(CC1)OCCO2 ZINC001593546692 1349840727 /nfs/dbraw/zinc/84/07/27/1349840727.db2.gz CLVFNPGDWPXBPT-UHFFFAOYSA-N -1 3 343.387 2.099 20 30 EEEDHM c1cc(-c2nn[n-]n2)ccc1CCON=C1CCC2(CC1)OCCO2 ZINC001593546692 1349840728 /nfs/dbraw/zinc/84/07/28/1349840728.db2.gz CLVFNPGDWPXBPT-UHFFFAOYSA-N -1 3 343.387 2.099 20 30 EEEDHM N#CC(C(=O)c1ccc(C(=O)[O-])cc1F)c1nnc2n1CCCCC2 ZINC001601047637 1350196680 /nfs/dbraw/zinc/19/66/80/1350196680.db2.gz WFKMJYOPXGFLOX-LBPRGKRZSA-N -1 3 342.330 2.332 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001602753552 1350581779 /nfs/dbraw/zinc/58/17/79/1350581779.db2.gz QSRUYDZCPGHGKM-HZMBPMFUSA-N -1 3 330.348 2.168 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001602753552 1350581781 /nfs/dbraw/zinc/58/17/81/1350581781.db2.gz QSRUYDZCPGHGKM-HZMBPMFUSA-N -1 3 330.348 2.168 20 30 EEEDHM C=C(C)CCC(=O)N1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001602756051 1350582418 /nfs/dbraw/zinc/58/24/18/1350582418.db2.gz BNGPWBBESYVVAH-UHFFFAOYSA-N -1 3 326.404 2.324 20 30 EEEDHM C=C(C)CCC(=O)N1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001602756051 1350582420 /nfs/dbraw/zinc/58/24/20/1350582420.db2.gz BNGPWBBESYVVAH-UHFFFAOYSA-N -1 3 326.404 2.324 20 30 EEEDHM C=CC(C)(C)CCNC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001602786785 1350586347 /nfs/dbraw/zinc/58/63/47/1350586347.db2.gz INZOHAOLAPADHJ-UHFFFAOYSA-N -1 3 326.404 2.494 20 30 EEEDHM C=CC(C)(C)CCNC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001602786785 1350586349 /nfs/dbraw/zinc/58/63/49/1350586349.db2.gz INZOHAOLAPADHJ-UHFFFAOYSA-N -1 3 326.404 2.494 20 30 EEEDHM C=CCC[C@@H]1CCCN1C(=O)Nc1cnc(OC)c(-c2nnn[n-]2)c1 ZINC001602833640 1350593247 /nfs/dbraw/zinc/59/32/47/1350593247.db2.gz SURPVTUUAZELGO-GFCCVEGCSA-N -1 3 343.391 2.233 20 30 EEEDHM C=CCCCC(=O)NCCCNc1cccc(F)c1-c1nnn[n-]1 ZINC001602833989 1350594057 /nfs/dbraw/zinc/59/40/57/1350594057.db2.gz DEGIIMSNWVFVCS-UHFFFAOYSA-N -1 3 332.383 2.280 20 30 EEEDHM C=CCCCC(=O)NCCCNc1cccc(F)c1-c1nn[n-]n1 ZINC001602833989 1350594060 /nfs/dbraw/zinc/59/40/60/1350594060.db2.gz DEGIIMSNWVFVCS-UHFFFAOYSA-N -1 3 332.383 2.280 20 30 EEEDHM C=CCN(CC=C)C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001602850371 1350595902 /nfs/dbraw/zinc/59/59/02/1350595902.db2.gz PEQINRWXQKWOKU-CYBMUJFWSA-N -1 3 327.388 2.143 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)C(=O)N(C)C(C)C ZINC001602858314 1350597119 /nfs/dbraw/zinc/59/71/19/1350597119.db2.gz NUSGXORFMBGSDB-AWEZNQCLSA-N -1 3 342.447 2.110 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccc(C#N)cn1 ZINC001602859501 1350597851 /nfs/dbraw/zinc/59/78/51/1350597851.db2.gz AAYJQFASJUDVNX-UHFFFAOYSA-N -1 3 331.383 2.322 20 30 EEEDHM C=CCn1c(-c2ccc(C)c(-c3nnn[n-]3)c2)nnc1N1CCCC1 ZINC001602876010 1350599349 /nfs/dbraw/zinc/59/93/49/1350599349.db2.gz OFMYSTLNMMKLRM-UHFFFAOYSA-N -1 3 336.403 2.220 20 30 EEEDHM C=CCn1c(-c2ccc(C)c(-c3nn[n-]n3)c2)nnc1N1CCCC1 ZINC001602876010 1350599354 /nfs/dbraw/zinc/59/93/54/1350599354.db2.gz OFMYSTLNMMKLRM-UHFFFAOYSA-N -1 3 336.403 2.220 20 30 EEEDHM C=CCN1CCC(NC(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)CC1 ZINC001602897699 1350601646 /nfs/dbraw/zinc/60/16/46/1350601646.db2.gz DASDEMWWVSHTQV-UHFFFAOYSA-N -1 3 346.431 2.223 20 30 EEEDHM CC(C)(C)OC(=O)CCCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001603085633 1350637566 /nfs/dbraw/zinc/63/75/66/1350637566.db2.gz XRMLJQADXPZRIG-UHFFFAOYSA-N -1 3 328.376 2.272 20 30 EEEDHM CC(C)(C)OC(=O)CCCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001603085633 1350637576 /nfs/dbraw/zinc/63/75/76/1350637576.db2.gz XRMLJQADXPZRIG-UHFFFAOYSA-N -1 3 328.376 2.272 20 30 EEEDHM C[C@@H](ON=C(N)c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001603709781 1350747620 /nfs/dbraw/zinc/74/76/20/1350747620.db2.gz GPBSPNWCGBVBAK-SNVBAGLBSA-N -1 3 326.335 2.404 20 30 EEEDHM C[C@@H](ON=C(N)c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC001603709781 1350747625 /nfs/dbraw/zinc/74/76/25/1350747625.db2.gz GPBSPNWCGBVBAK-SNVBAGLBSA-N -1 3 326.335 2.404 20 30 EEEDHM CC[C@H](CC#N)NC(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001604014770 1350829847 /nfs/dbraw/zinc/82/98/47/1350829847.db2.gz YIBVIVPCFBHNME-CYBMUJFWSA-N -1 3 330.367 2.092 20 30 EEEDHM CC[C@H](CC#N)NC(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001604014770 1350829849 /nfs/dbraw/zinc/82/98/49/1350829849.db2.gz YIBVIVPCFBHNME-CYBMUJFWSA-N -1 3 330.367 2.092 20 30 EEEDHM CCn1nc(C)c(C(=O)C=Cc2c(C)cc(-c3nnn[n-]3)cc2C)n1 ZINC001604616629 1350970996 /nfs/dbraw/zinc/97/09/96/1350970996.db2.gz BYAMYDRMZSHWNG-SREVYHEPSA-N -1 3 337.387 2.299 20 30 EEEDHM CCn1nc(C)c(C(=O)C=Cc2c(C)cc(-c3nn[n-]n3)cc2C)n1 ZINC001604616629 1350970999 /nfs/dbraw/zinc/97/09/99/1350970999.db2.gz BYAMYDRMZSHWNG-SREVYHEPSA-N -1 3 337.387 2.299 20 30 EEEDHM COc1nc(Cl)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)n1C ZINC001605344152 1351142016 /nfs/dbraw/zinc/14/20/16/1351142016.db2.gz KHGIUDCFZDGNFB-FPLPWBNLSA-N -1 3 344.762 2.158 20 30 EEEDHM COc1nc(Cl)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)n1C ZINC001605344152 1351142020 /nfs/dbraw/zinc/14/20/20/1351142020.db2.gz KHGIUDCFZDGNFB-FPLPWBNLSA-N -1 3 344.762 2.158 20 30 EEEDHM Cc1c(Cl)cnc(NCc2ccc(-c3nnn[n-]3)cn2)c1C#N ZINC001605492401 1351170264 /nfs/dbraw/zinc/17/02/64/1351170264.db2.gz WPDCRQOFDMZZOS-UHFFFAOYSA-N -1 3 326.751 2.102 20 30 EEEDHM Cc1c(Cl)cnc(NCc2ccc(-c3nn[n-]n3)cn2)c1C#N ZINC001605492401 1351170265 /nfs/dbraw/zinc/17/02/65/1351170265.db2.gz WPDCRQOFDMZZOS-UHFFFAOYSA-N -1 3 326.751 2.102 20 30 EEEDHM Cc1cc(C#N)cc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001605589193 1351195519 /nfs/dbraw/zinc/19/55/19/1351195519.db2.gz SWHLLSNVJNWPBZ-UHFFFAOYSA-N -1 3 333.355 2.369 20 30 EEEDHM Cc1cc(C#N)cc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001605589193 1351195524 /nfs/dbraw/zinc/19/55/24/1351195524.db2.gz SWHLLSNVJNWPBZ-UHFFFAOYSA-N -1 3 333.355 2.369 20 30 EEEDHM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001606381074 1351299561 /nfs/dbraw/zinc/29/95/61/1351299561.db2.gz IRYSGDVGUBHXJK-CYBMUJFWSA-N -1 3 336.380 2.217 20 30 EEEDHM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001606381074 1351299565 /nfs/dbraw/zinc/29/95/65/1351299565.db2.gz IRYSGDVGUBHXJK-CYBMUJFWSA-N -1 3 336.380 2.217 20 30 EEEDHM O=C(C=Cc1cnc(N2CCCC2)nc1)c1ccccc1-c1nnn[n-]1 ZINC001606487040 1351310644 /nfs/dbraw/zinc/31/06/44/1351310644.db2.gz DEVCHNMIPVOXGH-FPLPWBNLSA-N -1 3 347.382 2.153 20 30 EEEDHM O=C(C=Cc1cnc(N2CCCC2)nc1)c1ccccc1-c1nn[n-]n1 ZINC001606487040 1351310645 /nfs/dbraw/zinc/31/06/45/1351310645.db2.gz DEVCHNMIPVOXGH-FPLPWBNLSA-N -1 3 347.382 2.153 20 30 EEEDHM COc1ccc(CN2CC[C@](OC)(C(=O)[O-])C2)cc1OCCCC#N ZINC001607253596 1351459086 /nfs/dbraw/zinc/45/90/86/1351459086.db2.gz KXKAJYKPYZUDIS-GOSISDBHSA-N -1 3 348.399 2.053 20 30 EEEDHM N#Cc1cnccc1NC[C@@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001069435081 1370123808 /nfs/dbraw/zinc/12/38/08/1370123808.db2.gz XRHZBNVOISIGIN-UKRRQHHQSA-N -1 3 336.395 2.091 20 30 EEEDHM CCCCCCCCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001072718117 1370775949 /nfs/dbraw/zinc/77/59/49/1370775949.db2.gz VDMNBHRODVIVIN-UKRRQHHQSA-N -1 3 335.452 2.132 20 30 EEEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)C1CCC1 ZINC001342284789 1372942594 /nfs/dbraw/zinc/94/25/94/1372942594.db2.gz UNLYYDRWQMQLAW-UHFFFAOYSA-N -1 3 336.403 2.300 20 30 EEEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)C1CCC1 ZINC001342284789 1372942598 /nfs/dbraw/zinc/94/25/98/1372942598.db2.gz UNLYYDRWQMQLAW-UHFFFAOYSA-N -1 3 336.403 2.300 20 30 EEEDHM C=CCC1(C(=O)N2CCC(C)(NCc3n[nH]c(=O)[n-]3)CC2)CCCC1 ZINC001755135969 1407144023 /nfs/dbraw/zinc/14/40/23/1407144023.db2.gz JMXPNXQWQYTWBF-UHFFFAOYSA-N -1 3 347.463 2.118 20 30 EEEDHM Cc1ccc(C(=O)N(C)Cc2cc(-c3nnn[n-]3)cs2)cc1C#N ZINC001592116119 1403998064 /nfs/dbraw/zinc/99/80/64/1403998064.db2.gz NFRMYFVGRPUPQP-UHFFFAOYSA-N -1 3 338.396 2.381 20 30 EEEDHM Cc1ccc(C(=O)N(C)Cc2cc(-c3nn[n-]n3)cs2)cc1C#N ZINC001592116119 1403998068 /nfs/dbraw/zinc/99/80/68/1403998068.db2.gz NFRMYFVGRPUPQP-UHFFFAOYSA-N -1 3 338.396 2.381 20 30 EEEDHM N#C[C@]1(C(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)CC2CCC1CC2 ZINC001592669628 1404709495 /nfs/dbraw/zinc/70/94/95/1404709495.db2.gz QIPRTNMDODCBCN-ZBOLSWHPSA-N -1 3 348.410 2.429 20 30 EEEDHM N#C[C@]1(C(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)CC2CCC1CC2 ZINC001592669628 1404709500 /nfs/dbraw/zinc/70/95/00/1404709500.db2.gz QIPRTNMDODCBCN-ZBOLSWHPSA-N -1 3 348.410 2.429 20 30 EEEDHM N#Cc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1-c1nnn[n-]1 ZINC001606372464 1404805223 /nfs/dbraw/zinc/80/52/23/1404805223.db2.gz CYXUDWHBACJKSI-QGZVFWFLSA-N -1 3 333.355 2.151 20 30 EEEDHM N#Cc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1-c1nn[n-]n1 ZINC001606372464 1404805227 /nfs/dbraw/zinc/80/52/27/1404805227.db2.gz CYXUDWHBACJKSI-QGZVFWFLSA-N -1 3 333.355 2.151 20 30 EEEDHM N#Cc1ccc(NC(=O)[C@]23CCO[C@@H]2CCCC3)cc1-c1nnn[n-]1 ZINC001606372704 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/nfs/dbraw/zinc/40/42/97/1321404297.db2.gz NDOFSUSBBAQRMK-UHFFFAOYSA-N -1 3 334.339 2.284 20 30 EEEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC2(CCC2)C1 ZINC001263315628 1322458877 /nfs/dbraw/zinc/45/88/77/1322458877.db2.gz DEOSIFIRUGTMCL-UHFFFAOYSA-N -1 3 326.404 2.397 20 30 EEEDHM C=CCN(C)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001602847630 1350595127 /nfs/dbraw/zinc/59/51/27/1350595127.db2.gz XWGNHLOEPKPUAY-UHFFFAOYSA-N -1 3 342.281 2.415 20 30 EEEDHM C=CCN(C)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001602847630 1350595134 /nfs/dbraw/zinc/59/51/34/1350595134.db2.gz XWGNHLOEPKPUAY-UHFFFAOYSA-N -1 3 342.281 2.415 20 30 EEEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F)C(C)(C)C ZINC001309546593 1331633241 /nfs/dbraw/zinc/63/32/41/1331633241.db2.gz CAHDAVSUZGDOTL-CYBMUJFWSA-N -1 3 328.365 2.369 20 30 EEEDHM C#Cc1cncc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC001609021959 1351816853 /nfs/dbraw/zinc/81/68/53/1351816853.db2.gz OGBYAQOVBNGRJY-UHFFFAOYSA-N -1 3 348.366 2.283 20 30 EEEDHM C#Cc1cncc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC001609021959 1351816854 /nfs/dbraw/zinc/81/68/54/1351816854.db2.gz OGBYAQOVBNGRJY-UHFFFAOYSA-N -1 3 348.366 2.283 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)C(=O)N[C@@H](C)CC ZINC001609057109 1351826927 /nfs/dbraw/zinc/82/69/27/1351826927.db2.gz ZGUDGNNIHJEBKZ-UONOGXRCSA-N -1 3 342.447 2.158 20 30 EEEDHM C=CCN(C(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1)C1CC1 ZINC001609056158 1351826978 /nfs/dbraw/zinc/82/69/78/1351826978.db2.gz SETBMBBHJATILY-UHFFFAOYSA-N -1 3 327.363 2.214 20 30 EEEDHM C=CCN(C(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1)C1CC1 ZINC001609056158 1351826980 /nfs/dbraw/zinc/82/69/80/1351826980.db2.gz SETBMBBHJATILY-UHFFFAOYSA-N -1 3 327.363 2.214 20 30 EEEDHM CCC[C@@H](C)N(C)C(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609204791 1351890744 /nfs/dbraw/zinc/89/07/44/1351890744.db2.gz OXXPSSPJRUNQRL-IUODEOHRSA-N -1 3 326.404 2.196 20 30 EEEDHM CN(CCNc1c(C#N)cccc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC001609276241 1351918026 /nfs/dbraw/zinc/91/80/26/1351918026.db2.gz WKLFZBMSGQUFGW-UHFFFAOYSA-N -1 3 343.391 2.017 20 30 EEEDHM CN(CCNc1c(C#N)cccc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC001609276241 1351918028 /nfs/dbraw/zinc/91/80/28/1351918028.db2.gz WKLFZBMSGQUFGW-UHFFFAOYSA-N -1 3 343.391 2.017 20 30 EEEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@]1(C#N)CC12CCCC2 ZINC001609350025 1351942653 /nfs/dbraw/zinc/94/26/53/1351942653.db2.gz GKAODFSTECVILL-QGZVFWFLSA-N -1 3 338.371 2.288 20 30 EEEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@]1(C#N)CC12CCCC2 ZINC001609350025 1351942655 /nfs/dbraw/zinc/94/26/55/1351942655.db2.gz GKAODFSTECVILL-QGZVFWFLSA-N -1 3 338.371 2.288 20 30 EEEDHM N#Cc1csc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)n1 ZINC001609500887 1352000099 /nfs/dbraw/zinc/00/00/99/1352000099.db2.gz HORDBPOZKDREES-ONEGZZNKSA-N -1 3 326.316 2.230 20 30 EEEDHM N#Cc1csc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)n1 ZINC001609500887 1352000102 /nfs/dbraw/zinc/00/01/02/1352000102.db2.gz HORDBPOZKDREES-ONEGZZNKSA-N -1 3 326.316 2.230 20 30 EEEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001609517893 1352002385 /nfs/dbraw/zinc/00/23/85/1352002385.db2.gz UAYTZORHYOHPIW-BAQGIRSFSA-N -1 3 332.323 2.345 20 30 EEEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001609517893 1352002389 /nfs/dbraw/zinc/00/23/89/1352002389.db2.gz UAYTZORHYOHPIW-BAQGIRSFSA-N -1 3 332.323 2.345 20 30 EEEDHM O=C(CC#Cc1ccccc1)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001609520053 1352003139 /nfs/dbraw/zinc/00/31/39/1352003139.db2.gz ZVLVUCFZXBLRTK-SFHVURJKSA-N -1 3 343.390 2.412 20 30 EEEDHM O=C(CC#Cc1ccccc1)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001609520053 1352003144 /nfs/dbraw/zinc/00/31/44/1352003144.db2.gz ZVLVUCFZXBLRTK-SFHVURJKSA-N -1 3 343.390 2.412 20 30 EEEDHM C=C(C)Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C)c1[O-] ZINC001340143016 1337128243 /nfs/dbraw/zinc/12/82/43/1337128243.db2.gz OOAKDCPIVVGEJL-AWEZNQCLSA-N -1 3 339.399 2.035 20 30 EEEDHM Cc1sc(NC(=O)c2cc(C#N)ccn2)c(-c2nnn[n-]2)c1C ZINC001581741552 1344658569 /nfs/dbraw/zinc/65/85/69/1344658569.db2.gz GJRNACKOCWCGTC-UHFFFAOYSA-N -1 3 325.357 2.064 20 30 EEEDHM Cc1sc(NC(=O)c2cc(C#N)ccn2)c(-c2nn[n-]n2)c1C ZINC001581741552 1344658572 /nfs/dbraw/zinc/65/85/72/1344658572.db2.gz GJRNACKOCWCGTC-UHFFFAOYSA-N -1 3 325.357 2.064 20 30 EEEDHM N#Cc1ccc(N2CCN(c3cc(F)ccc3-c3nnn[n-]3)CC2)cc1 ZINC001581871264 1344682750 /nfs/dbraw/zinc/68/27/50/1344682750.db2.gz NRTFIEZPQQVNLM-UHFFFAOYSA-N -1 3 349.373 2.204 20 30 EEEDHM N#Cc1ccc(N2CCN(c3cc(F)ccc3-c3nn[n-]n3)CC2)cc1 ZINC001581871264 1344682757 /nfs/dbraw/zinc/68/27/57/1344682757.db2.gz NRTFIEZPQQVNLM-UHFFFAOYSA-N -1 3 349.373 2.204 20 30 EEEDHM C#C[C@@H](NC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001588329298 1348887663 /nfs/dbraw/zinc/88/76/63/1348887663.db2.gz CPOTTYCWQSMDEJ-IUODEOHRSA-N -1 3 326.404 2.227 20 30 EEEDHM C#C[C@@H](NC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001588329298 1348887669 /nfs/dbraw/zinc/88/76/69/1348887669.db2.gz CPOTTYCWQSMDEJ-IUODEOHRSA-N -1 3 326.404 2.227 20 30 EEEDHM C#C[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001588329792 1348889275 /nfs/dbraw/zinc/88/92/75/1348889275.db2.gz NOOURABKPXJOAC-FZMZJTMJSA-N -1 3 326.404 2.275 20 30 EEEDHM C#C[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001588329792 1348889278 /nfs/dbraw/zinc/88/92/78/1348889278.db2.gz NOOURABKPXJOAC-FZMZJTMJSA-N -1 3 326.404 2.275 20 30 EEEDHM C#CCN(C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1)C1CC1 ZINC001588347151 1348893155 /nfs/dbraw/zinc/89/31/55/1348893155.db2.gz JJCPXVWMZKROIS-UHFFFAOYSA-N -1 3 335.411 2.303 20 30 EEEDHM C#CCN(C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1)C1CC1 ZINC001588347151 1348893161 /nfs/dbraw/zinc/89/31/61/1348893161.db2.gz JJCPXVWMZKROIS-UHFFFAOYSA-N -1 3 335.411 2.303 20 30 EEEDHM C#CCN(C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)C1CC1 ZINC001588348528 1348893352 /nfs/dbraw/zinc/89/33/52/1348893352.db2.gz ZYSRSGOMVHWZIO-MRXNPFEDSA-N -1 3 336.399 2.051 20 30 EEEDHM C#CCN(C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)C1CC1 ZINC001588348528 1348893355 /nfs/dbraw/zinc/89/33/55/1348893355.db2.gz ZYSRSGOMVHWZIO-MRXNPFEDSA-N -1 3 336.399 2.051 20 30 EEEDHM C#CCN(C(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC001588347981 1348894342 /nfs/dbraw/zinc/89/43/42/1348894342.db2.gz DIAKVSHECQGPNH-UHFFFAOYSA-N -1 3 343.456 2.360 20 30 EEEDHM C#CCN(C(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001588347981 1348894353 /nfs/dbraw/zinc/89/43/53/1348894353.db2.gz DIAKVSHECQGPNH-UHFFFAOYSA-N -1 3 343.456 2.360 20 30 EEEDHM C=C[C@@H](C)ONC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001588519339 1348912701 /nfs/dbraw/zinc/91/27/01/1348912701.db2.gz XZVHUYCFEYBPIO-GFCCVEGCSA-N -1 3 330.392 2.293 20 30 EEEDHM C=C[C@@H](C)ONC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001588519339 1348912703 /nfs/dbraw/zinc/91/27/03/1348912703.db2.gz XZVHUYCFEYBPIO-GFCCVEGCSA-N -1 3 330.392 2.293 20 30 EEEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588560488 1348916929 /nfs/dbraw/zinc/91/69/29/1348916929.db2.gz RNAWMIHRQUGJGG-KCXAZCMYSA-N -1 3 341.415 2.151 20 30 EEEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588560488 1348916934 /nfs/dbraw/zinc/91/69/34/1348916934.db2.gz RNAWMIHRQUGJGG-KCXAZCMYSA-N -1 3 341.415 2.151 20 30 EEEDHM C=CCCC(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C[C@@H]1C ZINC001588566436 1348917382 /nfs/dbraw/zinc/91/73/82/1348917382.db2.gz HMYCOOHHBXXWLM-QWHCGFSZSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCC(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C[C@@H]1C ZINC001588566436 1348917384 /nfs/dbraw/zinc/91/73/84/1348917384.db2.gz HMYCOOHHBXXWLM-QWHCGFSZSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCC(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588571173 1348919305 /nfs/dbraw/zinc/91/93/05/1348919305.db2.gz UPVDECVYAQNTEU-KGLIPLIRSA-N -1 3 341.419 2.067 20 30 EEEDHM C=CCCC(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588571173 1348919307 /nfs/dbraw/zinc/91/93/07/1348919307.db2.gz UPVDECVYAQNTEU-KGLIPLIRSA-N -1 3 341.419 2.067 20 30 EEEDHM C=CCC[C@@H](CO)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC001588579517 1348920057 /nfs/dbraw/zinc/92/00/57/1348920057.db2.gz NRLNMGWKOYVZGB-QMMMGPOBSA-N -1 3 328.298 2.020 20 30 EEEDHM C=CCC[C@@H](CO)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC001588579517 1348920061 /nfs/dbraw/zinc/92/00/61/1348920061.db2.gz NRLNMGWKOYVZGB-QMMMGPOBSA-N -1 3 328.298 2.020 20 30 EEEDHM C=CCCCC(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588588450 1348922169 /nfs/dbraw/zinc/92/21/69/1348922169.db2.gz OBSRFYVWXFLZKV-AWEZNQCLSA-N -1 3 341.419 2.021 20 30 EEEDHM C=CCCCC(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588588450 1348922173 /nfs/dbraw/zinc/92/21/73/1348922173.db2.gz OBSRFYVWXFLZKV-AWEZNQCLSA-N -1 3 341.419 2.021 20 30 EEEDHM C=CCCO[C@H](C)C(=O)NC(C)(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588608846 1348923002 /nfs/dbraw/zinc/92/30/02/1348923002.db2.gz RKCKGKUVBYNODF-CYBMUJFWSA-N -1 3 343.431 2.285 20 30 EEEDHM C=CCCO[C@H](C)C(=O)NC(C)(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588608846 1348923006 /nfs/dbraw/zinc/92/30/06/1348923006.db2.gz RKCKGKUVBYNODF-CYBMUJFWSA-N -1 3 343.431 2.285 20 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C=CCN1C(=O)CC[C@]12CCCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001148213605 792247466 /nfs/dbraw/zinc/24/74/66/792247466.db2.gz HRMFKPOQWIDNFD-IBGZPJMESA-N -1 3 344.411 2.271 20 30 EEEDHM CCOC(=O)c1cnc2ccc(N[C@@H]3C(=O)N([O-])C[C@@H]3C)cc2c1 ZINC001171369747 793324153 /nfs/dbraw/zinc/32/41/53/793324153.db2.gz ZGPLLDNXIVYHEA-BONVTDFDSA-N -1 3 329.356 2.060 20 30 EEEDHM C[C@H]1C[C@H](Nc2cncc(C#N)n2)CCN1C(=O)c1ccccc1[O-] ZINC001064720353 793607470 /nfs/dbraw/zinc/60/74/70/793607470.db2.gz XUXGZCYKPMEVHS-QWHCGFSZSA-N -1 3 337.383 2.159 20 30 EEEDHM C=CCN1CCC[C@H](NC(=O)c2n[n-]c3ccccc3c2=O)[C@H]1C ZINC000993902778 797122821 /nfs/dbraw/zinc/12/28/21/797122821.db2.gz LJPFYSUIPUTYJA-OCCSQVGLSA-N -1 3 326.400 2.104 20 30 EEEDHM CCCc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)n[nH]1 ZINC000916929870 797948501 /nfs/dbraw/zinc/94/85/01/797948501.db2.gz CZYCZVZAXNLHGZ-GFCCVEGCSA-N -1 3 326.356 2.332 20 30 EEEDHM N#Cc1cc(NC(=O)Cn2ccc3sccc3c2=O)ccc1[O-] ZINC001175677046 798195041 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COC(=O)[C@](C)(C/N=C\c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000787143028 807017138 /nfs/dbraw/zinc/01/71/38/807017138.db2.gz ZVBIZOZCNMJFDV-QKPLWSGESA-N -1 3 342.395 2.138 20 30 EEEDHM C=C(CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)c1ccccc1 ZINC000805251460 811190989 /nfs/dbraw/zinc/19/09/89/811190989.db2.gz YFCVLICKLISVEU-UHFFFAOYSA-N -1 3 348.399 2.177 20 30 EEEDHM C#Cc1cccc(CNC(=O)C(C)(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573291343 946916967 /nfs/dbraw/zinc/91/69/67/946916967.db2.gz ZOCINNMJGUPWOJ-UHFFFAOYSA-N -1 3 345.406 2.442 20 30 EEEDHM C#Cc1cccc(CNC(=O)C(C)(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573291343 946916974 /nfs/dbraw/zinc/91/69/74/946916974.db2.gz ZOCINNMJGUPWOJ-UHFFFAOYSA-N -1 3 345.406 2.442 20 30 EEEDHM C=C(C)CCNC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001573293779 946966823 /nfs/dbraw/zinc/96/68/23/946966823.db2.gz JCGJZAUVRYWCKE-UHFFFAOYSA-N -1 3 337.387 2.057 20 30 EEEDHM C=C(C)CCNC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001573293779 946966831 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C=CCCCC(=O)NC/C=C/CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573336070 947497194 /nfs/dbraw/zinc/49/71/94/947497194.db2.gz ZSRTVAVBQOYYFG-VOTSOKGWSA-N -1 3 341.419 2.011 20 30 EEEDHM Fc1ccc(C=NOCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826374163 948160933 /nfs/dbraw/zinc/16/09/33/948160933.db2.gz ODLSDUKBKBKLBE-UHFFFAOYSA-N -1 3 327.319 2.435 20 30 EEEDHM Fc1ccc(C=NOCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826374163 948160938 /nfs/dbraw/zinc/16/09/38/948160938.db2.gz ODLSDUKBKBKLBE-UHFFFAOYSA-N -1 3 327.319 2.435 20 30 EEEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001565612970 948559193 /nfs/dbraw/zinc/55/91/93/948559193.db2.gz JEVKCYVCOPECOV-ZDUSSCGKSA-N -1 3 346.394 2.233 20 30 EEEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001565612970 948559198 /nfs/dbraw/zinc/55/91/98/948559198.db2.gz JEVKCYVCOPECOV-ZDUSSCGKSA-N -1 3 346.394 2.233 20 30 EEEDHM C[C@@H]1C[C@H](C(=O)[O-])CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC001589280270 953495478 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/nfs/dbraw/zinc/81/72/53/1351817253.db2.gz UWVPHNDGAYUEIM-UHFFFAOYSA-N -1 3 344.806 2.323 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC001609051093 1351823646 /nfs/dbraw/zinc/82/36/46/1351823646.db2.gz NUFXMYXGWAKAGE-ZFWWWQNUSA-N -1 3 342.403 2.278 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001609051093 1351823650 /nfs/dbraw/zinc/82/36/50/1351823650.db2.gz NUFXMYXGWAKAGE-ZFWWWQNUSA-N -1 3 342.403 2.278 20 30 EEEDHM C[C@H](C#N)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001324438003 1333683100 /nfs/dbraw/zinc/68/31/00/1333683100.db2.gz IQKNCMXHPAZQMW-ZCFIWIBFSA-N -1 3 327.715 2.192 20 30 EEEDHM C#CCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001325196723 1333846929 /nfs/dbraw/zinc/84/69/29/1333846929.db2.gz FYHPZBYEYIBAKO-UHFFFAOYSA-N -1 3 326.727 2.446 20 30 EEEDHM COC(=O)c1c(F)cccc1NN=Cc1cccc(-c2nn[n-]n2)c1 ZINC001609302209 1351925412 /nfs/dbraw/zinc/92/54/12/1351925412.db2.gz ZJLIGJREKWGYCV-UHFFFAOYSA-N -1 3 340.318 2.238 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1NC(=O)c1ccc(C)c(C#N)c1 ZINC001609335793 1351937121 /nfs/dbraw/zinc/93/71/21/1351937121.db2.gz DRNVJLXWKUGOMH-UHFFFAOYSA-N -1 3 334.339 2.308 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1NC(=O)c1ccc(C)c(C#N)c1 ZINC001609335793 1351937123 /nfs/dbraw/zinc/93/71/23/1351937123.db2.gz DRNVJLXWKUGOMH-UHFFFAOYSA-N -1 3 334.339 2.308 20 30 EEEDHM C=CCOCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001329877195 1334731225 /nfs/dbraw/zinc/73/12/25/1334731225.db2.gz DUYUNIZACDHWCD-UHFFFAOYSA-N -1 3 344.742 2.235 20 30 EEEDHM Cc1cc(C(N)=NOCc2ccccc2-c2nnn[n-]2)ccc1F ZINC001609396167 1351959067 /nfs/dbraw/zinc/95/90/67/1351959067.db2.gz FCLGOTWUMDINQH-UHFFFAOYSA-N -1 3 326.335 2.151 20 30 EEEDHM Cc1cc(C(N)=NOCc2ccccc2-c2nn[n-]n2)ccc1F ZINC001609396167 1351959070 /nfs/dbraw/zinc/95/90/70/1351959070.db2.gz FCLGOTWUMDINQH-UHFFFAOYSA-N -1 3 326.335 2.151 20 30 EEEDHM Cn1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c(C(F)F)n1 ZINC001609478660 1351992290 /nfs/dbraw/zinc/99/22/90/1351992290.db2.gz MPAQJTLRDKYQJE-WAYWQWQTSA-N -1 3 330.298 2.434 20 30 EEEDHM Cn1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c(C(F)F)n1 ZINC001609478660 1351992294 /nfs/dbraw/zinc/99/22/94/1351992294.db2.gz MPAQJTLRDKYQJE-WAYWQWQTSA-N -1 3 330.298 2.434 20 30 EEEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1=CCCCC1 ZINC001609493837 1351998556 /nfs/dbraw/zinc/99/85/56/1351998556.db2.gz TXZFCOVDLOXBQL-INIZCTEOSA-N -1 3 336.399 2.166 20 30 EEEDHM N#Cc1cc(F)ccc1NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001609498029 1351999299 /nfs/dbraw/zinc/99/92/99/1351999299.db2.gz YCULMQUDSWGDLO-UHFFFAOYSA-N -1 3 326.266 2.269 20 30 EEEDHM N#Cc1cc(F)ccc1NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001609498029 1351999302 /nfs/dbraw/zinc/99/93/02/1351999302.db2.gz YCULMQUDSWGDLO-UHFFFAOYSA-N -1 3 326.266 2.269 20 30 EEEDHM C=C[C@@H](CC)CC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001333787779 1336133363 /nfs/dbraw/zinc/13/33/63/1336133363.db2.gz AVRAMZQYQLJGBX-NSHDSACASA-N -1 3 328.409 2.416 20 30 EEEDHM Cc1cc(C)cc([C@H](NCc2cnc3c(C#N)cnn3c2)C(=O)[O-])c1 ZINC001610455951 1352225331 /nfs/dbraw/zinc/22/53/31/1352225331.db2.gz QAODRHZUUAEPOD-INIZCTEOSA-N -1 3 335.367 2.133 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1NC(=O)c1cc(C#N)ccc1C ZINC001579886843 1344427551 /nfs/dbraw/zinc/42/75/51/1344427551.db2.gz WMRGDQKVUXOECC-UHFFFAOYSA-N -1 3 334.339 2.308 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1NC(=O)c1cc(C#N)ccc1C ZINC001579886843 1344427555 /nfs/dbraw/zinc/42/75/55/1344427555.db2.gz WMRGDQKVUXOECC-UHFFFAOYSA-N -1 3 334.339 2.308 20 30 EEEDHM CSc1cccnc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001580236488 1344496691 /nfs/dbraw/zinc/49/66/91/1344496691.db2.gz KGFXGTPMQKYTAW-UHFFFAOYSA-N -1 3 337.368 2.108 20 30 EEEDHM CSc1cccnc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001580236488 1344496695 /nfs/dbraw/zinc/49/66/95/1344496695.db2.gz KGFXGTPMQKYTAW-UHFFFAOYSA-N -1 3 337.368 2.108 20 30 EEEDHM Cc1ccc(C(=O)Nc2cnc(Cl)cc2-c2nnn[n-]2)cc1C#N ZINC001581174398 1344594796 /nfs/dbraw/zinc/59/47/96/1344594796.db2.gz MKUONZXBLOHUSV-UHFFFAOYSA-N -1 3 339.746 2.348 20 30 EEEDHM Cc1ccc(C(=O)Nc2cnc(Cl)cc2-c2nn[n-]n2)cc1C#N ZINC001581174398 1344594802 /nfs/dbraw/zinc/59/48/02/1344594802.db2.gz MKUONZXBLOHUSV-UHFFFAOYSA-N -1 3 339.746 2.348 20 30 EEEDHM N#CCc1cccc(C(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001581859677 1344680577 /nfs/dbraw/zinc/68/05/77/1344680577.db2.gz PFUICKRLWBVGSJ-UHFFFAOYSA-N -1 3 336.330 2.002 20 30 EEEDHM N#CCc1cccc(C(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001581859677 1344680578 /nfs/dbraw/zinc/68/05/78/1344680578.db2.gz PFUICKRLWBVGSJ-UHFFFAOYSA-N -1 3 336.330 2.002 20 30 EEEDHM N#Cc1ccc(F)c(NC(=O)c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001581871189 1344682796 /nfs/dbraw/zinc/68/27/96/1344682796.db2.gz KUQKUZQKYVHWJI-UHFFFAOYSA-N -1 3 326.266 2.269 20 30 EEEDHM N#Cc1ccc(F)c(NC(=O)c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001581871189 1344682799 /nfs/dbraw/zinc/68/27/99/1344682799.db2.gz KUQKUZQKYVHWJI-UHFFFAOYSA-N -1 3 326.266 2.269 20 30 EEEDHM C#C[C@@H](C)N(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001588325572 1348886580 /nfs/dbraw/zinc/88/65/80/1348886580.db2.gz OZGATAPQGHYMGI-GFCCVEGCSA-N -1 3 348.366 2.148 20 30 EEEDHM C#C[C@@H](C)N(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001588325572 1348886582 /nfs/dbraw/zinc/88/65/82/1348886582.db2.gz OZGATAPQGHYMGI-GFCCVEGCSA-N -1 3 348.366 2.148 20 30 EEEDHM C#C[C@H](C)N(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1[C@H]1C[C@H]1C ZINC001588326431 1348887079 /nfs/dbraw/zinc/88/70/79/1348887079.db2.gz LNTSHZXZZLHBKF-XUJVJEKNSA-N -1 3 348.414 2.164 20 30 EEEDHM C#C[C@H](C)N(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1[C@H]1C[C@H]1C ZINC001588326431 1348887085 /nfs/dbraw/zinc/88/70/85/1348887085.db2.gz LNTSHZXZZLHBKF-XUJVJEKNSA-N -1 3 348.414 2.164 20 30 EEEDHM C#C[C@H](Nc1ccc(-c2nnn[n-]2)c(Br)c1)[C@H]1CCCO1 ZINC001588329023 1348887844 /nfs/dbraw/zinc/88/78/44/1348887844.db2.gz WHMDALRBHACMDD-QWHCGFSZSA-N -1 3 348.204 2.222 20 30 EEEDHM C#C[C@H](Nc1ccc(-c2nn[n-]n2)c(Br)c1)[C@H]1CCCO1 ZINC001588329023 1348887845 /nfs/dbraw/zinc/88/78/45/1348887845.db2.gz WHMDALRBHACMDD-QWHCGFSZSA-N -1 3 348.204 2.222 20 30 EEEDHM C#C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1C)c1ccc(F)cc1 ZINC001588330053 1348889234 /nfs/dbraw/zinc/88/92/34/1348889234.db2.gz UCSRQGUOSNEGGY-INIZCTEOSA-N -1 3 335.342 2.419 20 30 EEEDHM C#C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1C)c1ccc(F)cc1 ZINC001588330053 1348889237 /nfs/dbraw/zinc/88/92/37/1348889237.db2.gz UCSRQGUOSNEGGY-INIZCTEOSA-N -1 3 335.342 2.419 20 30 EEEDHM C#CC[C@@H](CCOC)Nc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001588331316 1348889441 /nfs/dbraw/zinc/88/94/41/1348889441.db2.gz NFVWJFPQOJFXEZ-JTQLQIEISA-N -1 3 328.401 2.317 20 30 EEEDHM C#CC[C@@H](CCOC)Nc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001588331316 1348889447 /nfs/dbraw/zinc/88/94/47/1348889447.db2.gz NFVWJFPQOJFXEZ-JTQLQIEISA-N -1 3 328.401 2.317 20 30 EEEDHM C#C[C@H]1CCCC[C@@H]1OC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588331803 1348890094 /nfs/dbraw/zinc/89/00/94/1348890094.db2.gz DDOOKIPVOOBRFK-FZMZJTMJSA-N -1 3 326.356 2.224 20 30 EEEDHM C#C[C@H]1CCCC[C@@H]1OC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588331803 1348890098 /nfs/dbraw/zinc/89/00/98/1348890098.db2.gz DDOOKIPVOOBRFK-FZMZJTMJSA-N -1 3 326.356 2.224 20 30 EEEDHM C#C[C@H]1CCCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC001588332952 1348890477 /nfs/dbraw/zinc/89/04/77/1348890477.db2.gz WTDIVPOGCQANJB-ZDUSSCGKSA-N -1 3 340.387 2.285 20 30 EEEDHM C#C[C@H]1CCCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC001588332952 1348890480 /nfs/dbraw/zinc/89/04/80/1348890480.db2.gz WTDIVPOGCQANJB-ZDUSSCGKSA-N -1 3 340.387 2.285 20 30 EEEDHM C#CCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCCc2ccccc21 ZINC001588348732 1348893194 /nfs/dbraw/zinc/89/31/94/1348893194.db2.gz KKQSEHYJSXVADH-KRWDZBQOSA-N -1 3 346.394 2.348 20 30 EEEDHM C#CCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCc2ccccc21 ZINC001588348732 1348893199 /nfs/dbraw/zinc/89/31/99/1348893199.db2.gz KKQSEHYJSXVADH-KRWDZBQOSA-N -1 3 346.394 2.348 20 30 EEEDHM C#CCN(C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)C1CC1 ZINC001588348527 1348894426 /nfs/dbraw/zinc/89/44/26/1348894426.db2.gz ZYSRSGOMVHWZIO-INIZCTEOSA-N -1 3 336.399 2.051 20 30 EEEDHM C#CCN(C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)C1CC1 ZINC001588348527 1348894433 /nfs/dbraw/zinc/89/44/33/1348894433.db2.gz ZYSRSGOMVHWZIO-INIZCTEOSA-N -1 3 336.399 2.051 20 30 EEEDHM C#Cc1ccc(C(=O)N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)nc1 ZINC001588367830 1348896714 /nfs/dbraw/zinc/89/67/14/1348896714.db2.gz NTAVJBVXLVNYJB-INIZCTEOSA-N -1 3 344.378 2.050 20 30 EEEDHM C#Cc1ccc(C(=O)N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)nc1 ZINC001588367830 1348896717 /nfs/dbraw/zinc/89/67/17/1348896717.db2.gz NTAVJBVXLVNYJB-INIZCTEOSA-N -1 3 344.378 2.050 20 30 EEEDHM C#Cc1ccccc1CC(=O)OCc1cc(-c2nnn[n-]2)ccc1OC ZINC001588377187 1348897663 /nfs/dbraw/zinc/89/76/63/1348897663.db2.gz RPNORPJORWEUKK-UHFFFAOYSA-N -1 3 348.362 2.143 20 30 EEEDHM C#Cc1ccccc1CC(=O)OCc1cc(-c2nn[n-]n2)ccc1OC ZINC001588377187 1348897671 /nfs/dbraw/zinc/89/76/71/1348897671.db2.gz RPNORPJORWEUKK-UHFFFAOYSA-N -1 3 348.362 2.143 20 30 EEEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001588401845 1348901401 /nfs/dbraw/zinc/90/14/01/1348901401.db2.gz ZBLRXLDNDKYUFN-BXUZGUMPSA-N -1 3 347.806 2.231 20 30 EEEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001588401845 1348901404 /nfs/dbraw/zinc/90/14/04/1348901404.db2.gz ZBLRXLDNDKYUFN-BXUZGUMPSA-N -1 3 347.806 2.231 20 30 EEEDHM C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001588475510 1348907079 /nfs/dbraw/zinc/90/70/79/1348907079.db2.gz MFQWGYRQJJJRMB-RYUDHWBXSA-N -1 3 343.435 2.169 20 30 EEEDHM C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001588475510 1348907082 /nfs/dbraw/zinc/90/70/82/1348907082.db2.gz MFQWGYRQJJJRMB-RYUDHWBXSA-N -1 3 343.435 2.169 20 30 EEEDHM C=CC(C)(C)CC(=O)N(CC)CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001588482174 1348907912 /nfs/dbraw/zinc/90/79/12/1348907912.db2.gz RSGWNEVZUSLXMG-UHFFFAOYSA-N -1 3 343.435 2.124 20 30 EEEDHM C=CC(C)(C)CC(=O)N(CC)CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001588482174 1348907917 /nfs/dbraw/zinc/90/79/17/1348907917.db2.gz RSGWNEVZUSLXMG-UHFFFAOYSA-N -1 3 343.435 2.124 20 30 EEEDHM C=C[C@](C)(CCOC)C(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588499624 1348909917 /nfs/dbraw/zinc/90/99/17/1348909917.db2.gz LBBSTDPPHUXHEM-QGZVFWFLSA-N -1 3 346.387 2.147 20 30 EEEDHM C=C[C@](C)(CCOC)C(=O)OCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588499624 1348909921 /nfs/dbraw/zinc/90/99/21/1348909921.db2.gz LBBSTDPPHUXHEM-QGZVFWFLSA-N -1 3 346.387 2.147 20 30 EEEDHM C=C[C@H](CC)CC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001588526639 1348913535 /nfs/dbraw/zinc/91/35/35/1348913535.db2.gz ZVKVDHRUFVISRQ-SNVBAGLBSA-N -1 3 331.332 2.420 20 30 EEEDHM C=C[C@H](CC)CC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001588526639 1348913538 /nfs/dbraw/zinc/91/35/38/1348913538.db2.gz ZVKVDHRUFVISRQ-SNVBAGLBSA-N -1 3 331.332 2.420 20 30 EEEDHM C=CCC(C)(C)C(=O)N[C@H](C)CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001588533307 1348914788 /nfs/dbraw/zinc/91/47/88/1348914788.db2.gz USCYKIIMMFCFFS-GFCCVEGCSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCC(C)(C)C(=O)N[C@H](C)CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001588533307 1348914791 /nfs/dbraw/zinc/91/47/91/1348914791.db2.gz USCYKIIMMFCFFS-GFCCVEGCSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCCC(=O)NC1(CNc2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001588571099 1348919066 /nfs/dbraw/zinc/91/90/66/1348919066.db2.gz GVOBTGITXMAWEB-UHFFFAOYSA-N -1 3 341.419 2.069 20 30 EEEDHM C=CCCC(=O)NC1(CNc2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001588571099 1348919072 /nfs/dbraw/zinc/91/90/72/1348919072.db2.gz GVOBTGITXMAWEB-UHFFFAOYSA-N -1 3 341.419 2.069 20 30 EEEDHM C=CCC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cc1Br ZINC001588578984 1348919753 /nfs/dbraw/zinc/91/97/53/1348919753.db2.gz HZZQWQFVYIXANZ-SNVBAGLBSA-N -1 3 338.209 2.368 20 30 EEEDHM C=CCCCC(=O)N(C)CCCNc1snc(C)c1-c1nnn[n-]1 ZINC001588582667 1348921383 /nfs/dbraw/zinc/92/13/83/1348921383.db2.gz NHKJYDSGMVCJJE-UHFFFAOYSA-N -1 3 349.464 2.248 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1ccc[nH]1 ZINC001588640474 1348926387 /nfs/dbraw/zinc/92/63/87/1348926387.db2.gz SYRZWOBPFOSZMN-HJWRWDBZSA-N -1 3 334.383 2.423 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1ccc[nH]1 ZINC001588640474 1348926388 /nfs/dbraw/zinc/92/63/88/1348926388.db2.gz SYRZWOBPFOSZMN-HJWRWDBZSA-N -1 3 334.383 2.423 20 30 EEEDHM CC(=Cc1ccccn1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001588771911 1348934383 /nfs/dbraw/zinc/93/43/83/1348934383.db2.gz DHYXYLLZHZDCHN-FLIBITNWSA-N -1 3 331.339 2.175 20 30 EEEDHM CC(=Cc1ccccn1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001588771911 1348934385 /nfs/dbraw/zinc/93/43/85/1348934385.db2.gz DHYXYLLZHZDCHN-FLIBITNWSA-N -1 3 331.339 2.175 20 30 EEEDHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1ccsc1C#N ZINC001588895030 1348943291 /nfs/dbraw/zinc/94/32/91/1348943291.db2.gz RWQOHKIBRWWYBG-UHFFFAOYSA-N -1 3 338.352 2.255 20 30 EEEDHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1ccsc1C#N ZINC001588895030 1348943292 /nfs/dbraw/zinc/94/32/92/1348943292.db2.gz RWQOHKIBRWWYBG-UHFFFAOYSA-N -1 3 338.352 2.255 20 30 EEEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1cncc(C#N)n1 ZINC001589626460 1349012538 /nfs/dbraw/zinc/01/25/38/1349012538.db2.gz WBTYFSUWKALODI-UHFFFAOYSA-N -1 3 334.387 2.191 20 30 EEEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1cncc(C#N)n1 ZINC001589626460 1349012541 /nfs/dbraw/zinc/01/25/41/1349012541.db2.gz WBTYFSUWKALODI-UHFFFAOYSA-N -1 3 334.387 2.191 20 30 EEEDHM C[C@@H](NC(=O)CC#Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589924302 1349063434 /nfs/dbraw/zinc/06/34/34/1349063434.db2.gz ZUOSBKDHVXZVNR-CQSZACIVSA-N -1 3 331.379 2.486 20 30 EEEDHM C[C@@H](NC(=O)CC#Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589924302 1349063437 /nfs/dbraw/zinc/06/34/37/1349063437.db2.gz ZUOSBKDHVXZVNR-CQSZACIVSA-N -1 3 331.379 2.486 20 30 EEEDHM C[C@H](OC1CCCCC1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001590015931 1349110490 /nfs/dbraw/zinc/11/04/90/1349110490.db2.gz NUZLPXXKRJPCMV-NSHDSACASA-N -1 3 340.387 2.415 20 30 EEEDHM C[C@H](OC1CCCCC1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001590015931 1349110499 /nfs/dbraw/zinc/11/04/99/1349110499.db2.gz NUZLPXXKRJPCMV-NSHDSACASA-N -1 3 340.387 2.415 20 30 EEEDHM 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EEEDHM COc1cc(-c2nn[n-]n2)ccc1CN1Cc2cccc(C#N)c2C1 ZINC001579882141 1344425866 /nfs/dbraw/zinc/42/58/66/1344425866.db2.gz FPLKUPLHIZXMHY-UHFFFAOYSA-N -1 3 332.367 2.263 20 30 EEEDHM N#CCc1ccsc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001581859250 1344680751 /nfs/dbraw/zinc/68/07/51/1344680751.db2.gz COJNABFBWXAJNF-UHFFFAOYSA-N -1 3 335.352 2.118 20 30 EEEDHM N#CCc1ccsc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001581859250 1344680757 /nfs/dbraw/zinc/68/07/57/1344680757.db2.gz COJNABFBWXAJNF-UHFFFAOYSA-N -1 3 335.352 2.118 20 30 EEEDHM C#CC1(F)CN(C(=O)Nc2scc(C(C)(C)C)c2-c2nnn[n-]2)C1 ZINC001588328808 1348887977 /nfs/dbraw/zinc/88/79/77/1348887977.db2.gz QWTNMNNLUOUWJD-UHFFFAOYSA-N -1 3 348.407 2.415 20 30 EEEDHM C#CC1(F)CN(C(=O)Nc2scc(C(C)(C)C)c2-c2nn[n-]n2)C1 ZINC001588328808 1348887982 /nfs/dbraw/zinc/88/79/82/1348887982.db2.gz QWTNMNNLUOUWJD-UHFFFAOYSA-N -1 3 348.407 2.415 20 30 EEEDHM C#C[C@@H](CCC)NC(=O)N(CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588327952 1348888069 /nfs/dbraw/zinc/88/80/69/1348888069.db2.gz VMWJNIVPENWSKX-INIZCTEOSA-N -1 3 338.415 2.366 20 30 EEEDHM C#C[C@@H](CCC)NC(=O)N(CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588327952 1348888076 /nfs/dbraw/zinc/88/80/76/1348888076.db2.gz VMWJNIVPENWSKX-INIZCTEOSA-N -1 3 338.415 2.366 20 30 EEEDHM C#C[C@@H]1CCCN(c2nc3cc(Cl)ccn3c2-c2nnn[n-]2)C1 ZINC001588332780 1348889505 /nfs/dbraw/zinc/88/95/05/1348889505.db2.gz SAONJMCPOWEERV-SNVBAGLBSA-N -1 3 327.779 2.017 20 30 EEEDHM C#C[C@@H]1CCCN(c2nc3cc(Cl)ccn3c2-c2nn[n-]n2)C1 ZINC001588332780 1348889509 /nfs/dbraw/zinc/88/95/09/1348889509.db2.gz SAONJMCPOWEERV-SNVBAGLBSA-N -1 3 327.779 2.017 20 30 EEEDHM C#C[C@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001588332858 1348890776 /nfs/dbraw/zinc/89/07/76/1348890776.db2.gz UQWHQMBXFZCJQF-JTQLQIEISA-N -1 3 330.779 2.397 20 30 EEEDHM C#C[C@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001588332858 1348890783 /nfs/dbraw/zinc/89/07/83/1348890783.db2.gz UQWHQMBXFZCJQF-JTQLQIEISA-N -1 3 330.779 2.397 20 30 EEEDHM C#CCCN(CC(F)(F)F)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001588346711 1348893470 /nfs/dbraw/zinc/89/34/70/1348893470.db2.gz USGNOKHYQSTGBP-UHFFFAOYSA-N -1 3 337.305 2.203 20 30 EEEDHM C#CCCN(CC(F)(F)F)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001588346711 1348893480 /nfs/dbraw/zinc/89/34/80/1348893480.db2.gz USGNOKHYQSTGBP-UHFFFAOYSA-N -1 3 337.305 2.203 20 30 EEEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588401107 1348900480 /nfs/dbraw/zinc/90/04/80/1348900480.db2.gz LXHHTFZDCUSIHM-BXUZGUMPSA-N -1 3 347.806 2.231 20 30 EEEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588401107 1348900482 /nfs/dbraw/zinc/90/04/82/1348900482.db2.gz LXHHTFZDCUSIHM-BXUZGUMPSA-N -1 3 347.806 2.231 20 30 EEEDHM C=C(C)C[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001588405954 1348900898 /nfs/dbraw/zinc/90/08/98/1348900898.db2.gz QRTAXMQWXARUNZ-NEPJUHHUSA-N -1 3 343.387 2.339 20 30 EEEDHM C=C(C)C[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001588405954 1348900900 /nfs/dbraw/zinc/90/09/00/1348900900.db2.gz QRTAXMQWXARUNZ-NEPJUHHUSA-N -1 3 343.387 2.339 20 30 EEEDHM C=C(C)CCC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588419624 1348904512 /nfs/dbraw/zinc/90/45/12/1348904512.db2.gz QNZFPOQUXCLJCZ-TXEJJXNPSA-N -1 3 344.394 2.421 20 30 EEEDHM C=C(C)CCC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588419624 1348904514 /nfs/dbraw/zinc/90/45/14/1348904514.db2.gz QNZFPOQUXCLJCZ-TXEJJXNPSA-N -1 3 344.394 2.421 20 30 EEEDHM C=C(CO)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588444295 1348906439 /nfs/dbraw/zinc/90/64/39/1348906439.db2.gz WBNMLFGZSYXIOP-CYBMUJFWSA-N -1 3 349.394 2.259 20 30 EEEDHM C=C(CO)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588444295 1348906444 /nfs/dbraw/zinc/90/64/44/1348906444.db2.gz WBNMLFGZSYXIOP-CYBMUJFWSA-N -1 3 349.394 2.259 20 30 EEEDHM C=C[C@](C)(CCOC)COC(=O)COc1ccccc1-c1nnn[n-]1 ZINC001588499924 1348910467 /nfs/dbraw/zinc/91/04/67/1348910467.db2.gz OUYFMGPJSQIFBV-QGZVFWFLSA-N -1 3 346.387 2.018 20 30 EEEDHM C=C[C@](C)(CCOC)COC(=O)COc1ccccc1-c1nn[n-]n1 ZINC001588499924 1348910469 /nfs/dbraw/zinc/91/04/69/1348910469.db2.gz OUYFMGPJSQIFBV-QGZVFWFLSA-N -1 3 346.387 2.018 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588518348 1348911278 /nfs/dbraw/zinc/91/12/78/1348911278.db2.gz ASZJBEBINRPAPA-OLZOCXBDSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588518348 1348911282 /nfs/dbraw/zinc/91/12/82/1348911282.db2.gz ASZJBEBINRPAPA-OLZOCXBDSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@@H](CC)CC(=O)NCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588523878 1348912605 /nfs/dbraw/zinc/91/26/05/1348912605.db2.gz MUMJQYQYRNKTPX-OLZOCXBDSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@@H](CC)CC(=O)NCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588523878 1348912606 /nfs/dbraw/zinc/91/26/06/1348912606.db2.gz MUMJQYQYRNKTPX-OLZOCXBDSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@@H](CC)CC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC001588526556 1348913832 /nfs/dbraw/zinc/91/38/32/1348913832.db2.gz YRHCNJCRGGUULK-NSHDSACASA-N -1 3 347.375 2.161 20 30 EEEDHM C=CCC1(C(=O)OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001588556485 1348915471 /nfs/dbraw/zinc/91/54/71/1348915471.db2.gz MHYUHGISUAJYLY-UHFFFAOYSA-N -1 3 341.371 2.095 20 30 EEEDHM C=CCC1(C(=O)OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001588556485 1348915474 /nfs/dbraw/zinc/91/54/74/1348915474.db2.gz MHYUHGISUAJYLY-UHFFFAOYSA-N -1 3 341.371 2.095 20 30 EEEDHM C=CCCCCCNC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588596153 1348923192 /nfs/dbraw/zinc/92/31/92/1348923192.db2.gz IXXPXJRXDBPEIH-ZDUSSCGKSA-N -1 3 329.404 2.497 20 30 EEEDHM C=CCCCCCNC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588596153 1348923194 /nfs/dbraw/zinc/92/31/94/1348923194.db2.gz IXXPXJRXDBPEIH-ZDUSSCGKSA-N -1 3 329.404 2.497 20 30 EEEDHM C=CCN(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001588626935 1348924308 /nfs/dbraw/zinc/92/43/08/1348924308.db2.gz WGUFCCVUGWOLMY-UHFFFAOYSA-N -1 3 336.355 2.312 20 30 EEEDHM C=CCN(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001588626935 1348924311 /nfs/dbraw/zinc/92/43/11/1348924311.db2.gz WGUFCCVUGWOLMY-UHFFFAOYSA-N -1 3 336.355 2.312 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1noc(C)n1 ZINC001588647682 1348926007 /nfs/dbraw/zinc/92/60/07/1348926007.db2.gz AFWNZPUIMYXYRZ-NSHDSACASA-N -1 3 325.376 2.307 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1noc(C)n1 ZINC001588647682 1348926010 /nfs/dbraw/zinc/92/60/10/1348926010.db2.gz AFWNZPUIMYXYRZ-NSHDSACASA-N -1 3 325.376 2.307 20 30 EEEDHM C=CCN(Cc1ncc(Cl)n1C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588651965 1348926958 /nfs/dbraw/zinc/92/69/58/1348926958.db2.gz BMLJXAIZVKLKNI-UHFFFAOYSA-N -1 3 343.822 2.442 20 30 EEEDHM C=CCN(Cc1ncc(Cl)n1C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588651965 1348926962 /nfs/dbraw/zinc/92/69/62/1348926962.db2.gz BMLJXAIZVKLKNI-UHFFFAOYSA-N -1 3 343.822 2.442 20 30 EEEDHM C=CCN(Cc1cnn(CCF)c1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588651990 1348927628 /nfs/dbraw/zinc/92/76/28/1348927628.db2.gz CLPLSARHKMVNDA-UHFFFAOYSA-N -1 3 341.394 2.221 20 30 EEEDHM C=CCOCCCOC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588682928 1348928833 /nfs/dbraw/zinc/92/88/33/1348928833.db2.gz LSTWGZFCWVBKHR-CYBMUJFWSA-N -1 3 330.388 2.181 20 30 EEEDHM C=CCOCCCOC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588682928 1348928838 /nfs/dbraw/zinc/92/88/38/1348928838.db2.gz LSTWGZFCWVBKHR-CYBMUJFWSA-N -1 3 330.388 2.181 20 30 EEEDHM C=CCn1c([C@@H]2C[C@@H]2C)nnc1N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001588703427 1348930359 /nfs/dbraw/zinc/93/03/59/1348930359.db2.gz PECXVBOYVZLRFO-SMDDNHRTSA-N -1 3 348.414 2.288 20 30 EEEDHM C=CCn1c([C@@H]2C[C@@H]2C)nnc1N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001588703427 1348930362 /nfs/dbraw/zinc/93/03/62/1348930362.db2.gz PECXVBOYVZLRFO-SMDDNHRTSA-N -1 3 348.414 2.288 20 30 EEEDHM CC(C)C[C@@H](C)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589550565 1349004284 /nfs/dbraw/zinc/00/42/84/1349004284.db2.gz LOKRCKGTGXTZTM-IUODEOHRSA-N -1 3 326.404 2.100 20 30 EEEDHM C[C@H](NC(=O)c1cccc(CC#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589945917 1349072404 /nfs/dbraw/zinc/07/24/04/1349072404.db2.gz JLLMMZVDVFJDDG-LBPRGKRZSA-N -1 3 332.367 2.424 20 30 EEEDHM C[C@H](NC(=O)c1cccc(CC#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589945917 1349072411 /nfs/dbraw/zinc/07/24/11/1349072411.db2.gz JLLMMZVDVFJDDG-LBPRGKRZSA-N -1 3 332.367 2.424 20 30 EEEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC001590023847 1349114492 /nfs/dbraw/zinc/11/44/92/1349114492.db2.gz RVBIPACMYJCEEB-GFCCVEGCSA-N -1 3 349.350 2.249 20 30 EEEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC001590023847 1349114508 /nfs/dbraw/zinc/11/45/08/1349114508.db2.gz RVBIPACMYJCEEB-GFCCVEGCSA-N -1 3 349.350 2.249 20 30 EEEDHM CC1(C)CCCN(CCOc2ccc(-c3nn[n-]n3)cc2)[C@H]1C#N ZINC001590097576 1349154277 /nfs/dbraw/zinc/15/42/77/1349154277.db2.gz SUYKUNQIJGLKAC-HNNXBMFYSA-N -1 3 326.404 2.260 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)cc(NC(=O)C=Cc2ccccc2C#N)n1 ZINC001591857874 1349548379 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EEEDHM N#Cc1ncccc1N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001592709753 1349710656 /nfs/dbraw/zinc/71/06/56/1349710656.db2.gz OGTXHTSKGISFOH-UHFFFAOYSA-N -1 3 347.382 2.181 20 30 EEEDHM N#Cc1ncccc1N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001592709753 1349710661 /nfs/dbraw/zinc/71/06/61/1349710661.db2.gz OGTXHTSKGISFOH-UHFFFAOYSA-N -1 3 347.382 2.181 20 30 EEEDHM O=C1C(=Cc2cccc3c2OCCO3)Cc2ccc(-c3nnn[n-]3)cc21 ZINC001593380296 1349795253 /nfs/dbraw/zinc/79/52/53/1349795253.db2.gz OBMQWVQHRNJMJD-NTEUORMPSA-N -1 3 346.346 2.460 20 30 EEEDHM O=C1C(=Cc2cccc3c2OCCO3)Cc2ccc(-c3nn[n-]n3)cc21 ZINC001593380296 1349795259 /nfs/dbraw/zinc/79/52/59/1349795259.db2.gz OBMQWVQHRNJMJD-NTEUORMPSA-N -1 3 346.346 2.460 20 30 EEEDHM c1cc(-c2nnn[n-]2)ccc1CNN=C1CCCC12CCOCC2 ZINC001593549020 1349843286 /nfs/dbraw/zinc/84/32/86/1349843286.db2.gz JITAHROCUDEYOI-UHFFFAOYSA-N -1 3 326.404 2.293 20 30 EEEDHM c1cc(-c2nn[n-]n2)ccc1CNN=C1CCCC12CCOCC2 ZINC001593549020 1349843290 /nfs/dbraw/zinc/84/32/90/1349843290.db2.gz JITAHROCUDEYOI-UHFFFAOYSA-N -1 3 326.404 2.293 20 30 EEEDHM N#Cc1ccc(NC(=O)CCN2C[C@@H](F)C[C@H]2C(=O)[O-])cc1Cl ZINC001601107076 1350210951 /nfs/dbraw/zinc/21/09/51/1350210951.db2.gz RCEUWXOXIUPAOW-GWCFXTLKSA-N -1 3 339.754 2.037 20 30 EEEDHM N#Cc1ccc2ncc(CN[C@H](C(=O)[O-])c3ccc4c(c3)CCO4)n2c1 ZINC001601116632 1350213726 /nfs/dbraw/zinc/21/37/26/1350213726.db2.gz YFHSZAHSTHWTGP-SFHVURJKSA-N -1 3 348.362 2.056 20 30 EEEDHM C=C(CN[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001602768175 1350584201 /nfs/dbraw/zinc/58/42/01/1350584201.db2.gz USDGIYOOXUIEMG-KRWDZBQOSA-N -1 3 349.394 2.384 20 30 EEEDHM C=C(CN[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001602768175 1350584206 /nfs/dbraw/zinc/58/42/06/1350584206.db2.gz USDGIYOOXUIEMG-KRWDZBQOSA-N -1 3 349.394 2.384 20 30 EEEDHM C=CCC(C)(C)CN[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC001602809943 1350589648 /nfs/dbraw/zinc/58/96/48/1350589648.db2.gz XZXHDFNBAOADAL-CQSZACIVSA-N -1 3 329.404 2.273 20 30 EEEDHM C=CCC(C)(C)CN[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC001602809943 1350589650 /nfs/dbraw/zinc/58/96/50/1350589650.db2.gz XZXHDFNBAOADAL-CQSZACIVSA-N -1 3 329.404 2.273 20 30 EEEDHM C=CCCCS(=O)(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001602839946 1350594469 /nfs/dbraw/zinc/59/44/69/1350594469.db2.gz NAAHYGCSKGWNAU-UHFFFAOYSA-N -1 3 327.797 2.228 20 30 EEEDHM C=CCCC(C)(C)NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001602832903 1350593510 /nfs/dbraw/zinc/59/35/10/1350593510.db2.gz AOBINULMIXATJA-UHFFFAOYSA-N -1 3 335.433 2.031 20 30 EEEDHM C=CCCC(C)(C)NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602832903 1350593513 /nfs/dbraw/zinc/59/35/13/1350593513.db2.gz AOBINULMIXATJA-UHFFFAOYSA-N -1 3 335.433 2.031 20 30 EEEDHM C=CC[S@@](=O)(=NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccccc1 ZINC001602870498 1350599124 /nfs/dbraw/zinc/59/91/24/1350599124.db2.gz NSEXZCISTRESEE-DEOSSOPVSA-N -1 3 342.384 2.048 20 30 EEEDHM C=CC[S@@](=O)(=NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccccc1 ZINC001602870498 1350599126 /nfs/dbraw/zinc/59/91/26/1350599126.db2.gz NSEXZCISTRESEE-DEOSSOPVSA-N -1 3 342.384 2.048 20 30 EEEDHM C[C@@H](COc1ccccc1)NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC001603572187 1350722343 /nfs/dbraw/zinc/72/23/43/1350722343.db2.gz WWQCJCYQWPBPAU-LBPRGKRZSA-N -1 3 340.362 2.397 20 30 EEEDHM C[C@@H](COc1ccccc1)NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC001603572187 1350722346 /nfs/dbraw/zinc/72/23/46/1350722346.db2.gz WWQCJCYQWPBPAU-LBPRGKRZSA-N -1 3 340.362 2.397 20 30 EEEDHM C[C@H]1CCCCN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001603889385 1350794855 /nfs/dbraw/zinc/79/48/55/1350794855.db2.gz BLCDAYQRRUXTNJ-BBRMVZONSA-N -1 3 338.415 2.198 20 30 EEEDHM CO[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1 ZINC001605030509 1351061818 /nfs/dbraw/zinc/06/18/18/1351061818.db2.gz VHZZCYMUGZQCTR-BXUZGUMPSA-N -1 3 340.387 2.272 20 30 EEEDHM CO[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1 ZINC001605030509 1351061822 /nfs/dbraw/zinc/06/18/22/1351061822.db2.gz VHZZCYMUGZQCTR-BXUZGUMPSA-N -1 3 340.387 2.272 20 30 EEEDHM Cc1cc(Cn2cnc(C#N)c2-c2nnn[n-]2)ccc1Br ZINC001605671897 1351214815 /nfs/dbraw/zinc/21/48/15/1351214815.db2.gz XLINSGMOPBFLPV-UHFFFAOYSA-N -1 3 344.176 2.054 20 30 EEEDHM N#CC[C@@H]1CC[C@H](NC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC001606351469 1351296650 /nfs/dbraw/zinc/29/66/50/1351296650.db2.gz LCSZJDFLEZOXES-WFASDCNBSA-N -1 3 336.399 2.097 20 30 EEEDHM N#CC[C@@H]1CC[C@H](NC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC001606351469 1351296653 /nfs/dbraw/zinc/29/66/53/1351296653.db2.gz LCSZJDFLEZOXES-WFASDCNBSA-N -1 3 336.399 2.097 20 30 EEEDHM N#Cc1ccn(Cc2ccc(Br)cc2-c2nnn[n-]2)c1 ZINC001606389508 1351300465 /nfs/dbraw/zinc/30/04/65/1351300465.db2.gz TYEKALSSIBHVDB-UHFFFAOYSA-N -1 3 329.161 2.351 20 30 EEEDHM N#Cc1ccn(Cc2ccc(Br)cc2-c2nn[n-]n2)c1 ZINC001606389508 1351300467 /nfs/dbraw/zinc/30/04/67/1351300467.db2.gz TYEKALSSIBHVDB-UHFFFAOYSA-N -1 3 329.161 2.351 20 30 EEEDHM O=C(NC1CC1)c1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001606653468 1351337485 /nfs/dbraw/zinc/33/74/85/1351337485.db2.gz KTLATJPDADZLCF-UHFFFAOYSA-N -1 3 347.382 2.205 20 30 EEEDHM CC(=O)N(C)c1ccc(C/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000864346223 1369593946 /nfs/dbraw/zinc/59/39/46/1369593946.db2.gz QUJHWDRUEGRDJD-VXLYETTFSA-N -1 3 327.384 2.190 20 30 EEEDHM C=C[C@@H](CC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000831133803 1372366721 /nfs/dbraw/zinc/36/67/21/1372366721.db2.gz DNRGXCBZMIYQTQ-ZDUSSCGKSA-N -1 3 340.345 2.483 20 30 EEEDHM N#Cc1ccc(OCC(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000837330738 1372781193 /nfs/dbraw/zinc/78/11/93/1372781193.db2.gz GAFNXFUSDVJIDC-UHFFFAOYSA-N -1 3 325.324 2.053 20 30 EEEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(C[C@H]1CCOC1)C1CC1 ZINC001342084355 1372940822 /nfs/dbraw/zinc/94/08/22/1372940822.db2.gz CAXPKUHHDZEYGH-GFCCVEGCSA-N -1 3 345.403 2.220 20 30 EEEDHM COc1cc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)ccc1C#N ZINC001579890120 1403791984 /nfs/dbraw/zinc/79/19/84/1403791984.db2.gz CHGAKKLERTYVAT-UHFFFAOYSA-N -1 3 334.339 2.024 20 30 EEEDHM COc1cc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)ccc1C#N ZINC001579890120 1403791990 /nfs/dbraw/zinc/79/19/90/1403791990.db2.gz CHGAKKLERTYVAT-UHFFFAOYSA-N -1 3 334.339 2.024 20 30 EEEDHM COc1cc(C(=O)N(C)c2ccccc2C#N)ccc1-c1nnn[n-]1 ZINC001579890143 1403792158 /nfs/dbraw/zinc/79/21/58/1403792158.db2.gz DHRRFEDFBZNHFD-UHFFFAOYSA-N -1 3 334.339 2.024 20 30 EEEDHM COc1cc(C(=O)N(C)c2ccccc2C#N)ccc1-c1nn[n-]n1 ZINC001579890143 1403792164 /nfs/dbraw/zinc/79/21/64/1403792164.db2.gz DHRRFEDFBZNHFD-UHFFFAOYSA-N -1 3 334.339 2.024 20 30 EEEDHM Cc1c(C(=O)N2Cc3ccc(C#N)cc3C2)cccc1-c1nnn[n-]1 ZINC001580534398 1403860914 /nfs/dbraw/zinc/86/09/14/1403860914.db2.gz IGSWWTRGXXLIIE-UHFFFAOYSA-N -1 3 330.351 2.203 20 30 EEEDHM Cc1c(C(=O)N2Cc3ccc(C#N)cc3C2)cccc1-c1nn[n-]n1 ZINC001580534398 1403860920 /nfs/dbraw/zinc/86/09/20/1403860920.db2.gz IGSWWTRGXXLIIE-UHFFFAOYSA-N -1 3 330.351 2.203 20 30 EEEDHM CCOC(=O)C1(CNc2c(C#N)cccc2-c2nnn[n-]2)CCCC1 ZINC001590754928 1403896645 /nfs/dbraw/zinc/89/66/45/1403896645.db2.gz IPDNSZWGDXXDBT-UHFFFAOYSA-N -1 3 340.387 2.274 20 30 EEEDHM CCOC(=O)C1(CNc2c(C#N)cccc2-c2nn[n-]n2)CCCC1 ZINC001590754928 1403896655 /nfs/dbraw/zinc/89/66/55/1403896655.db2.gz IPDNSZWGDXXDBT-UHFFFAOYSA-N -1 3 340.387 2.274 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C#N)C1CCCCC1 ZINC001591482487 1403918443 /nfs/dbraw/zinc/91/84/43/1403918443.db2.gz QRGPNMWTMMZQJZ-CQSZACIVSA-N -1 3 340.387 2.078 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C#N)C1CCCCC1 ZINC001591482487 1403918448 /nfs/dbraw/zinc/91/84/48/1403918448.db2.gz QRGPNMWTMMZQJZ-CQSZACIVSA-N -1 3 340.387 2.078 20 30 EEEDHM COc1cc(OCc2cc(F)ccc2-c2nnn[n-]2)ccc1C#N ZINC001591553197 1403930535 /nfs/dbraw/zinc/93/05/35/1403930535.db2.gz ZMXAFWQJANZNIH-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM COc1cc(OCc2cc(F)ccc2-c2nn[n-]n2)ccc1C#N ZINC001591553197 1403930542 /nfs/dbraw/zinc/93/05/42/1403930542.db2.gz ZMXAFWQJANZNIH-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C=C1CCc2nn(C)cc2C1=O ZINC001591839351 1403956348 /nfs/dbraw/zinc/95/63/48/1403956348.db2.gz LXPHIKQRUHEDDH-WQLSENKSSA-N -1 3 334.383 2.430 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C=C1CCc2nn(C)cc2C1=O ZINC001591839351 1403956353 /nfs/dbraw/zinc/95/63/53/1403956353.db2.gz LXPHIKQRUHEDDH-WQLSENKSSA-N -1 3 334.383 2.430 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC001591879636 1403967705 /nfs/dbraw/zinc/96/77/05/1403967705.db2.gz RPFVGEANUMKMJK-OAHLLOKOSA-N -1 3 347.382 2.345 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC001591879636 1403967711 /nfs/dbraw/zinc/96/77/11/1403967711.db2.gz RPFVGEANUMKMJK-OAHLLOKOSA-N -1 3 347.382 2.345 20 30 EEEDHM N#C[C@H](C(=O)c1cccc(-c2nn[n-]n2)c1)c1nc2ccccc2[nH]1 ZINC001592665437 1404707666 /nfs/dbraw/zinc/70/76/66/1404707666.db2.gz NUPZRTMTZIBOCB-GFCCVEGCSA-N -1 3 329.323 2.233 20 30 EEEDHM N#CCN1CCC(Nc2cccc(C(F)F)c2-c2nnn[n-]2)CC1 ZINC001592678074 1404713037 /nfs/dbraw/zinc/71/30/37/1404713037.db2.gz NYFGCNMGNJFHDM-UHFFFAOYSA-N -1 3 333.346 2.204 20 30 EEEDHM N#CCN1CCC(Nc2cccc(C(F)F)c2-c2nn[n-]n2)CC1 ZINC001592678074 1404713041 /nfs/dbraw/zinc/71/30/41/1404713041.db2.gz NYFGCNMGNJFHDM-UHFFFAOYSA-N -1 3 333.346 2.204 20 30 EEEDHM N#Cc1cnc(N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)c([N+](=O)[O-])c1 ZINC001592704807 1404717522 /nfs/dbraw/zinc/71/75/22/1404717522.db2.gz WGKNLUIVEYROJO-CYBMUJFWSA-N -1 3 348.326 2.141 20 30 EEEDHM N#Cc1cnc(N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)c([N+](=O)[O-])c1 ZINC001592704807 1404717526 /nfs/dbraw/zinc/71/75/26/1404717526.db2.gz WGKNLUIVEYROJO-CYBMUJFWSA-N -1 3 348.326 2.141 20 30 EEEDHM Cc1cc(NC(=O)N2CCC[C@@](C)(C#N)C2)cc(-c2nnn[n-]2)c1 ZINC001605708652 1404752021 /nfs/dbraw/zinc/75/20/21/1404752021.db2.gz DVUQDEUPGBLIRC-INIZCTEOSA-N -1 3 325.376 2.333 20 30 EEEDHM Cc1cc(NC(=O)N2CCC[C@@](C)(C#N)C2)cc(-c2nn[n-]n2)c1 ZINC001605708652 1404752025 /nfs/dbraw/zinc/75/20/25/1404752025.db2.gz DVUQDEUPGBLIRC-INIZCTEOSA-N -1 3 325.376 2.333 20 30 EEEDHM N#Cc1c(Cl)nsc1N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001606356017 1404801712 /nfs/dbraw/zinc/80/17/12/1404801712.db2.gz CEMKUTBUKUELHF-JTQLQIEISA-N -1 3 343.803 2.428 20 30 EEEDHM N#Cc1c(Cl)nsc1N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001606356017 1404801714 /nfs/dbraw/zinc/80/17/14/1404801714.db2.gz CEMKUTBUKUELHF-JTQLQIEISA-N -1 3 343.803 2.428 20 30 EEEDHM C=CCOCC(=O)NC[C@H]1CCCCCN1C(=O)c1ccccc1[O-] ZINC001756119225 1408150179 /nfs/dbraw/zinc/15/01/79/1408150179.db2.gz OZXMFOMLZSYPEU-OAHLLOKOSA-N -1 3 346.427 2.096 20 30 EEEDHM C=CCC1(C(=O)NCC[C@@H](NC(=O)c2cn[n-]n2)C(C)C)CCCC1 ZINC001756390523 1408406714 /nfs/dbraw/zinc/40/67/14/1408406714.db2.gz OPAQAQPIRYULAN-CQSZACIVSA-N -1 3 347.463 2.202 20 30 EEEDHM C=CC(C)(C)CC(=O)N(C)C[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001756457685 1408582850 /nfs/dbraw/zinc/58/28/50/1408582850.db2.gz DMUHBNYWRSIQTD-LBPRGKRZSA-N -1 3 343.431 2.137 20 30 EEEDHM C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CCN1C(=O)c1ccccc1[O-] ZINC001756554182 1408928764 /nfs/dbraw/zinc/92/87/64/1408928764.db2.gz RKAHNNRKNXPIHH-HIFRSBDPSA-N -1 3 328.412 2.161 20 30 EEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1nnc(C2CC2)o1 ZINC000920407585 770695082 /nfs/dbraw/zinc/69/50/82/770695082.db2.gz OUVJBMHRKCTAOT-UHFFFAOYSA-N -1 3 342.355 2.212 20 30 EEEDHM Cc1nc(-c2ccccc2)c(C(=O)N[C@H]2CCCN([O-])C2=O)s1 ZINC000816757434 784245094 /nfs/dbraw/zinc/24/50/94/784245094.db2.gz RUZIEKYNXAIIQD-LBPRGKRZSA-N -1 3 331.397 2.229 20 30 EEEDHM CC(C)(C(=O)N[C@@H]1CCCN([O-])C1=O)c1ccc(Cl)cc1F ZINC000820476091 785938604 /nfs/dbraw/zinc/93/86/04/785938604.db2.gz HLGAPELLQWZELV-GFCCVEGCSA-N -1 3 328.771 2.253 20 30 EEEDHM C=CCCC(=O)N1CCCC[C@@H]1CNC(=O)c1cccc2n[n-]nc21 ZINC001062059039 787286439 /nfs/dbraw/zinc/28/64/39/787286439.db2.gz HMECPDXNZAFVOA-CYBMUJFWSA-N -1 3 341.415 2.035 20 30 EEEDHM C=CCN(CCc1ccco1)C(=O)c1sccc1-c1nnn[n-]1 ZINC000823903639 787974234 /nfs/dbraw/zinc/97/42/34/787974234.db2.gz FVPRTZZNGNNNKX-UHFFFAOYSA-N -1 3 329.385 2.392 20 30 EEEDHM C=CCN(CCc1ccco1)C(=O)c1sccc1-c1nn[n-]n1 ZINC000823903639 787974239 /nfs/dbraw/zinc/97/42/39/787974239.db2.gz 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ZINC001061046427 797515976 /nfs/dbraw/zinc/51/59/76/797515976.db2.gz AIJMBDMBEDHKEW-CABCVRRESA-N -1 3 336.395 2.234 20 30 EEEDHM N#CC1(NC(=O)COC(=O)c2cc3sccc3c([O-])c2)CCC1 ZINC000786138571 806707206 /nfs/dbraw/zinc/70/72/06/806707206.db2.gz VSDANVMOKOGRAT-UHFFFAOYSA-N -1 3 330.365 2.326 20 30 EEEDHM C[C@]1(CNc2cnc(C#N)cn2)CCN(C(=O)c2ccccc2[O-])C1 ZINC001065389376 799004553 /nfs/dbraw/zinc/00/45/53/799004553.db2.gz FPHVHPVENTUSDA-GOSISDBHSA-N -1 3 337.383 2.018 20 30 EEEDHM N#Cc1c(F)cccc1S(=O)(=O)[N-]CCSC(F)(F)F ZINC000228536883 802410470 /nfs/dbraw/zinc/41/04/70/802410470.db2.gz WIFKEQDNBJJMOZ-UHFFFAOYSA-N -1 3 328.312 2.229 20 30 EEEDHM CC(C)(C)C(=O)Nc1ccc(/C=N/[O-])nc1NC[C@@H](O)C(F)(F)F ZINC001169454336 803758231 /nfs/dbraw/zinc/75/82/31/803758231.db2.gz MNGKMSCDOAZNMY-GFKCFBEASA-N -1 3 348.325 2.209 20 30 EEEDHM C#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573279904 946650026 /nfs/dbraw/zinc/65/00/26/946650026.db2.gz LLGVXPWMXGPDIE-RCCFBDPRSA-N -1 3 343.390 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CC(C)(C#N)CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC001589033936 1348954061 /nfs/dbraw/zinc/95/40/61/1348954061.db2.gz MQFSANILVXAKLH-UHFFFAOYSA-N -1 3 349.738 2.307 20 30 EEEDHM C[C@@H](CC(C)(C)C#N)OC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001589797102 1349045655 /nfs/dbraw/zinc/04/56/55/1349045655.db2.gz VCEJUZNDFFQIBD-NSHDSACASA-N -1 3 329.360 2.117 20 30 EEEDHM C[C@@H](CC(C)(C)C#N)OC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001589797102 1349045658 /nfs/dbraw/zinc/04/56/58/1349045658.db2.gz VCEJUZNDFFQIBD-NSHDSACASA-N -1 3 329.360 2.117 20 30 EEEDHM C[C@H](ON=Cc1cccs1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001590020631 1349111296 /nfs/dbraw/zinc/11/12/96/1349111296.db2.gz NTLTVBYVHXUEEZ-JTQLQIEISA-N -1 3 342.384 2.306 20 30 EEEDHM C[C@H](ON=Cc1cccs1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001590020631 1349111301 /nfs/dbraw/zinc/11/13/01/1349111301.db2.gz NTLTVBYVHXUEEZ-JTQLQIEISA-N -1 3 342.384 2.306 20 30 EEEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001590051675 1349131065 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EEEDHM CCN(CCC#N)C(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001590691341 1349392580 /nfs/dbraw/zinc/39/25/80/1349392580.db2.gz XEQCNMLKBAXNAZ-UHFFFAOYSA-N -1 3 330.367 2.046 20 30 EEEDHM CCN(CCC#N)C(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001590691341 1349392586 /nfs/dbraw/zinc/39/25/86/1349392586.db2.gz XEQCNMLKBAXNAZ-UHFFFAOYSA-N -1 3 330.367 2.046 20 30 EEEDHM Cc1cc(C#N)cc(C)c1C(=O)NOc1cccc(-c2nnn[n-]2)c1 ZINC001591905647 1349554504 /nfs/dbraw/zinc/55/45/04/1349554504.db2.gz CWPITOBQEXSXMC-UHFFFAOYSA-N -1 3 334.339 2.079 20 30 EEEDHM Cc1cc(C#N)cc(C)c1C(=O)NOc1cccc(-c2nn[n-]n2)c1 ZINC001591905647 1349554510 /nfs/dbraw/zinc/55/45/10/1349554510.db2.gz CWPITOBQEXSXMC-UHFFFAOYSA-N -1 3 334.339 2.079 20 30 EEEDHM N#Cc1c(F)cccc1N1CC(Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592686476 1349705412 /nfs/dbraw/zinc/70/54/12/1349705412.db2.gz KXMDXQAYTYJALS-UHFFFAOYSA-N -1 3 336.330 2.145 20 30 EEEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1cc(F)cc(F)c1 ZINC001592686454 1349705604 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O=C1C=C(NNc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@@H]2CCCCN12 ZINC001593377914 1349794366 /nfs/dbraw/zinc/79/43/66/1349794366.db2.gz MLCSKHUKYJJPCU-ZDUSSCGKSA-N -1 3 345.794 2.073 20 30 EEEDHM C#CCC[C@H](O)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001602703735 1350575879 /nfs/dbraw/zinc/57/58/79/1350575879.db2.gz ZHTJTMHGFLCWDR-JTQLQIEISA-N -1 3 325.294 2.072 20 30 EEEDHM C#CCC[C@H](O)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001602703735 1350575881 /nfs/dbraw/zinc/57/58/81/1350575881.db2.gz ZHTJTMHGFLCWDR-JTQLQIEISA-N -1 3 325.294 2.072 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001602752895 1350581600 /nfs/dbraw/zinc/58/16/00/1350581600.db2.gz IJULRZPZWYAVDQ-IINYFYTJSA-N -1 3 330.348 2.168 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001602752895 1350581604 /nfs/dbraw/zinc/58/16/04/1350581604.db2.gz IJULRZPZWYAVDQ-IINYFYTJSA-N -1 3 330.348 2.168 20 30 EEEDHM C=C(CN[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001602768176 1350584111 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C=CCN(Cc1cccc(C#N)c1)Cc1ccc(-c2nn[n-]n2)cn1 ZINC001602859947 1350597708 /nfs/dbraw/zinc/59/77/08/1350597708.db2.gz ORHGNVFUTSFXHO-UHFFFAOYSA-N -1 3 331.383 2.322 20 30 EEEDHM C=CC[S@](=O)(=NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccccc1 ZINC001602870503 1350598723 /nfs/dbraw/zinc/59/87/23/1350598723.db2.gz NSEXZCISTRESEE-XMMPIXPASA-N -1 3 342.384 2.048 20 30 EEEDHM C=CC[S@](=O)(=NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccccc1 ZINC001602870503 1350598728 /nfs/dbraw/zinc/59/87/28/1350598728.db2.gz NSEXZCISTRESEE-XMMPIXPASA-N -1 3 342.384 2.048 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC001602885337 1350601205 /nfs/dbraw/zinc/60/12/05/1350601205.db2.gz BADWUZDNUQUDKN-OCCSQVGLSA-N -1 3 343.387 2.184 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC001602885337 1350601207 /nfs/dbraw/zinc/60/12/07/1350601207.db2.gz BADWUZDNUQUDKN-OCCSQVGLSA-N -1 3 343.387 2.184 20 30 EEEDHM CC(C)(C)c1ccc(C#N)c(NCc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001603115801 1350643455 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N#Cc1cccc(OCCOc2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001606381559 1351299398 /nfs/dbraw/zinc/29/93/98/1351299398.db2.gz DCSWNPROSVGFGW-UHFFFAOYSA-N -1 3 325.303 2.335 20 30 EEEDHM N#Cc1cccc(OCCOc2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001606381559 1351299402 /nfs/dbraw/zinc/29/94/02/1351299402.db2.gz DCSWNPROSVGFGW-UHFFFAOYSA-N -1 3 325.303 2.335 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC001606379779 1351299570 /nfs/dbraw/zinc/29/95/70/1351299570.db2.gz MKUJGEXWBGRHOL-WBMJQRKESA-N -1 3 342.428 2.205 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC001606379779 1351299572 /nfs/dbraw/zinc/29/95/72/1351299572.db2.gz MKUJGEXWBGRHOL-WBMJQRKESA-N -1 3 342.428 2.205 20 30 EEEDHM N#Cc1ccncc1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001606388759 1351300648 /nfs/dbraw/zinc/30/06/48/1351300648.db2.gz FMMNBFUYIYFKJF-UHFFFAOYSA-N -1 3 325.719 2.039 20 30 EEEDHM N#Cc1ccncc1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001606388759 1351300650 /nfs/dbraw/zinc/30/06/50/1351300650.db2.gz FMMNBFUYIYFKJF-UHFFFAOYSA-N -1 3 325.719 2.039 20 30 EEEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccccc1-n1ccnn1 ZINC001606483401 1351309069 /nfs/dbraw/zinc/30/90/69/1351309069.db2.gz WORQOMRIVLITEJ-WAYWQWQTSA-N -1 3 349.379 2.405 20 30 EEEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccccc1-n1ccnn1 ZINC001606483401 1351309071 /nfs/dbraw/zinc/30/90/71/1351309071.db2.gz WORQOMRIVLITEJ-WAYWQWQTSA-N -1 3 349.379 2.405 20 30 EEEDHM O=C1C(=Cc2cccc3c2OCO3)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001607037416 1351402749 /nfs/dbraw/zinc/40/27/49/1351402749.db2.gz LJWLFUGWHNJCAX-XFFZJAGNSA-N -1 3 347.334 2.203 20 30 EEEDHM O=C1C(=Cc2cccc3c2OCO3)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001607037416 1351402751 /nfs/dbraw/zinc/40/27/51/1351402751.db2.gz LJWLFUGWHNJCAX-XFFZJAGNSA-N -1 3 347.334 2.203 20 30 EEEDHM Cc1cc(C(=O)Nc2ccc([O-])c(C#N)c2)nn1Cc1ccccn1 ZINC001199660218 1368691014 /nfs/dbraw/zinc/69/10/14/1368691014.db2.gz CLXOKJRMKSJYBJ-UHFFFAOYSA-N -1 3 333.351 2.464 20 30 EEEDHM CC(=O)N(C)c1ccc(C/N=C\c2c([O-])c(C)ncc2CO)cc1 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/nfs/dbraw/zinc/85/91/18/1351859118.db2.gz MSTMHXUFAICYPS-OAHLLOKOSA-N -1 3 330.779 2.286 20 30 EEEDHM C[C@]1(C#N)CCCN(C(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001609142130 1351859122 /nfs/dbraw/zinc/85/91/22/1351859122.db2.gz MSTMHXUFAICYPS-OAHLLOKOSA-N -1 3 330.779 2.286 20 30 EEEDHM CCCC(C#N)(CCC)NC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001609204105 1351889707 /nfs/dbraw/zinc/88/97/07/1351889707.db2.gz RGLAQHPACYYVLA-UHFFFAOYSA-N -1 3 327.392 2.163 20 30 EEEDHM CCCC(C#N)(CCC)NC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001609204105 1351889709 /nfs/dbraw/zinc/88/97/09/1351889709.db2.gz RGLAQHPACYYVLA-UHFFFAOYSA-N -1 3 327.392 2.163 20 30 EEEDHM Cc1cc(C#N)cnc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609393374 1351958092 /nfs/dbraw/zinc/95/80/92/1351958092.db2.gz RUJYSGCILYBPPX-NSHDSACASA-N -1 3 334.339 2.360 20 30 EEEDHM Cc1cc(C#N)cnc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609393374 1351958094 /nfs/dbraw/zinc/95/80/94/1351958094.db2.gz RUJYSGCILYBPPX-NSHDSACASA-N -1 3 334.339 2.360 20 30 EEEDHM Cc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c(C)n1C ZINC001609399633 1351961205 /nfs/dbraw/zinc/96/12/05/1351961205.db2.gz IXLRVQFEKZEJNL-UHFFFAOYSA-N -1 3 330.783 2.316 20 30 EEEDHM Cc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(C)n1C ZINC001609399633 1351961206 /nfs/dbraw/zinc/96/12/06/1351961206.db2.gz IXLRVQFEKZEJNL-UHFFFAOYSA-N -1 3 330.783 2.316 20 30 EEEDHM Cc1cc(OCC(=O)Nc2sccc2-c2nnn[n-]2)ccc1C#N ZINC001609410921 1351965838 /nfs/dbraw/zinc/96/58/38/1351965838.db2.gz HBQMZFPRUQFQJN-UHFFFAOYSA-N -1 3 340.368 2.126 20 30 EEEDHM Cc1cc(OCC(=O)Nc2sccc2-c2nn[n-]n2)ccc1C#N ZINC001609410921 1351965840 /nfs/dbraw/zinc/96/58/40/1351965840.db2.gz HBQMZFPRUQFQJN-UHFFFAOYSA-N -1 3 340.368 2.126 20 30 EEEDHM O=C(CC#Cc1ccccc1)OCc1ccc(-c2nnn[n-]2)cc1F ZINC001609519835 1352002617 /nfs/dbraw/zinc/00/26/17/1352002617.db2.gz PFHAZKWIJUABLG-UHFFFAOYSA-N -1 3 336.326 2.491 20 30 EEEDHM O=C(CC#Cc1ccccc1)OCc1ccc(-c2nn[n-]n2)cc1F ZINC001609519835 1352002622 /nfs/dbraw/zinc/00/26/22/1352002622.db2.gz PFHAZKWIJUABLG-UHFFFAOYSA-N -1 3 336.326 2.491 20 30 EEEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001342089683 1337309290 /nfs/dbraw/zinc/30/92/90/1337309290.db2.gz UOIWRAINABIDRA-CYBMUJFWSA-N -1 3 333.392 2.076 20 30 EEEDHM Cc1cc(F)c(C#N)c(NCCNc2ncccc2-c2nnn[n-]2)c1 ZINC001580933372 1344573517 /nfs/dbraw/zinc/57/35/17/1344573517.db2.gz MMRKIAKMPBSPRE-UHFFFAOYSA-N -1 3 338.350 2.105 20 30 EEEDHM Cc1cc(F)c(C#N)c(NCCNc2ncccc2-c2nn[n-]n2)c1 ZINC001580933372 1344573521 /nfs/dbraw/zinc/57/35/21/1344573521.db2.gz MMRKIAKMPBSPRE-UHFFFAOYSA-N -1 3 338.350 2.105 20 30 EEEDHM Cc1nc(N(C)CCOCc2ccc(-c3nnn[n-]3)cc2)ccc1C#N ZINC001581463712 1344628435 /nfs/dbraw/zinc/62/84/35/1344628435.db2.gz XWHDAVVHRGRKOO-UHFFFAOYSA-N -1 3 349.398 2.095 20 30 EEEDHM Cc1nc(N(C)CCOCc2ccc(-c3nn[n-]n3)cc2)ccc1C#N ZINC001581463712 1344628437 /nfs/dbraw/zinc/62/84/37/1344628437.db2.gz XWHDAVVHRGRKOO-UHFFFAOYSA-N -1 3 349.398 2.095 20 30 EEEDHM N#CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)C1 ZINC001581857932 1344679453 /nfs/dbraw/zinc/67/94/53/1344679453.db2.gz KSKJIEUUJWVPIR-VBNZEHGJSA-N -1 3 336.399 2.122 20 30 EEEDHM N#CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)C1 ZINC001581857932 1344679456 /nfs/dbraw/zinc/67/94/56/1344679456.db2.gz KSKJIEUUJWVPIR-VBNZEHGJSA-N -1 3 336.399 2.122 20 30 EEEDHM N#Cc1cc(C(=O)N2CCc3cc(-c4nnn[n-]4)ccc32)ccc1F ZINC001581864117 1344681528 /nfs/dbraw/zinc/68/15/28/1344681528.db2.gz HCCZRKDTIMFKGG-UHFFFAOYSA-N -1 3 334.314 2.080 20 30 EEEDHM N#Cc1cc(C(=O)N2CCc3cc(-c4nn[n-]n4)ccc32)ccc1F ZINC001581864117 1344681530 /nfs/dbraw/zinc/68/15/30/1344681530.db2.gz HCCZRKDTIMFKGG-UHFFFAOYSA-N -1 3 334.314 2.080 20 30 EEEDHM N#Cc1cc(NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)ccc1-c1nnn[n-]1 ZINC001581866481 1344682222 /nfs/dbraw/zinc/68/22/22/1344682222.db2.gz DYGJQAQMFGSKPL-IXDOHACOSA-N -1 3 342.362 2.263 20 30 EEEDHM N#Cc1cc(NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)ccc1-c1nn[n-]n1 ZINC001581866481 1344682225 /nfs/dbraw/zinc/68/22/25/1344682225.db2.gz DYGJQAQMFGSKPL-IXDOHACOSA-N -1 3 342.362 2.263 20 30 EEEDHM N#Cc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)n1 ZINC001581875024 1344684051 /nfs/dbraw/zinc/68/40/51/1344684051.db2.gz SDGXWZZXVNKYIF-UHFFFAOYSA-N -1 3 331.339 2.263 20 30 EEEDHM N#Cc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)n1 ZINC001581875024 1344684058 /nfs/dbraw/zinc/68/40/58/1344684058.db2.gz SDGXWZZXVNKYIF-UHFFFAOYSA-N -1 3 331.339 2.263 20 30 EEEDHM C#C[C@@H](C)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001588325074 1348886838 /nfs/dbraw/zinc/88/68/38/1348886838.db2.gz FLLGFNDKGMHLQZ-MRVPVSSYSA-N -1 3 338.293 2.371 20 30 EEEDHM C#C[C@@H](C)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001588325074 1348886845 /nfs/dbraw/zinc/88/68/45/1348886845.db2.gz FLLGFNDKGMHLQZ-MRVPVSSYSA-N -1 3 338.293 2.371 20 30 EEEDHM C#C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC)C(C)C ZINC001588329715 1348888739 /nfs/dbraw/zinc/88/87/39/1348888739.db2.gz MERRISSYJSFMHQ-GFCCVEGCSA-N -1 3 328.376 2.045 20 30 EEEDHM C#C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC)C(C)C ZINC001588329715 1348888743 /nfs/dbraw/zinc/88/87/43/1348888743.db2.gz MERRISSYJSFMHQ-GFCCVEGCSA-N -1 3 328.376 2.045 20 30 EEEDHM C#CCC[C@H](O)CNc1cc(C(F)(F)F)c(F)cc1-c1nnn[n-]1 ZINC001588336524 1348892989 /nfs/dbraw/zinc/89/29/89/1348892989.db2.gz BSOYDCNTUOFHDU-QMMMGPOBSA-N -1 3 343.284 2.211 20 30 EEEDHM C#CCC[C@H](O)CNc1cc(C(F)(F)F)c(F)cc1-c1nn[n-]n1 ZINC001588336524 1348892996 /nfs/dbraw/zinc/89/29/96/1348892996.db2.gz BSOYDCNTUOFHDU-QMMMGPOBSA-N -1 3 343.284 2.211 20 30 EEEDHM C#CCN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC001588348352 1348893826 /nfs/dbraw/zinc/89/38/26/1348893826.db2.gz RLGQEPYYDDGIBH-DLBZAZTESA-N -1 3 335.411 2.375 20 30 EEEDHM C#CCN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC001588348352 1348893830 /nfs/dbraw/zinc/89/38/30/1348893830.db2.gz RLGQEPYYDDGIBH-DLBZAZTESA-N -1 3 335.411 2.375 20 30 EEEDHM C#CCN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588351874 1348895086 /nfs/dbraw/zinc/89/50/86/1348895086.db2.gz OCEUHACXCUNGQC-UHFFFAOYSA-N -1 3 347.378 2.151 20 30 EEEDHM C#CCN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588351874 1348895089 /nfs/dbraw/zinc/89/50/89/1348895089.db2.gz OCEUHACXCUNGQC-UHFFFAOYSA-N -1 3 347.378 2.151 20 30 EEEDHM C#CCN(Cc1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588352106 1348895643 /nfs/dbraw/zinc/89/56/43/1348895643.db2.gz SVSHKLJPXNFAPL-UHFFFAOYSA-N -1 3 348.366 2.410 20 30 EEEDHM C#CCN(Cc1ccccc1)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588352106 1348895647 /nfs/dbraw/zinc/89/56/47/1348895647.db2.gz SVSHKLJPXNFAPL-UHFFFAOYSA-N -1 3 348.366 2.410 20 30 EEEDHM C#Cc1cccc(CNC(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001588374559 1348897727 /nfs/dbraw/zinc/89/77/27/1348897727.db2.gz BBQBCMNPIZFHHX-UHFFFAOYSA-N -1 3 336.330 2.309 20 30 EEEDHM C#Cc1cccc(CNC(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001588374559 1348897735 /nfs/dbraw/zinc/89/77/35/1348897735.db2.gz BBQBCMNPIZFHHX-UHFFFAOYSA-N -1 3 336.330 2.309 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001588401704 1348900852 /nfs/dbraw/zinc/90/08/52/1348900852.db2.gz XCJFKTGRQPSWIV-OZVIIMIRSA-N -1 3 329.404 2.204 20 30 EEEDHM C=C(C)CCC(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588411486 1348901870 /nfs/dbraw/zinc/90/18/70/1348901870.db2.gz DIADIJDJPNBCEJ-CQSZACIVSA-N -1 3 341.419 2.021 20 30 EEEDHM C=C(C)CCC(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588411486 1348901872 /nfs/dbraw/zinc/90/18/72/1348901872.db2.gz DIADIJDJPNBCEJ-CQSZACIVSA-N -1 3 341.419 2.021 20 30 EEEDHM C=C(C)CCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CCC1 ZINC001588417804 1348902895 /nfs/dbraw/zinc/90/28/95/1348902895.db2.gz HBMXMZMUQGBXMO-UHFFFAOYSA-N -1 3 341.419 2.069 20 30 EEEDHM C=C(C)CCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CCC1 ZINC001588417804 1348902902 /nfs/dbraw/zinc/90/29/02/1348902902.db2.gz HBMXMZMUQGBXMO-UHFFFAOYSA-N -1 3 341.419 2.069 20 30 EEEDHM C=C(C)CNC(=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001588430472 1348905355 /nfs/dbraw/zinc/90/53/55/1348905355.db2.gz QDUKTXGPOVFAFU-UHFFFAOYSA-N -1 3 349.398 2.180 20 30 EEEDHM C=C(C)CNC(=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001588430472 1348905358 /nfs/dbraw/zinc/90/53/58/1348905358.db2.gz QDUKTXGPOVFAFU-UHFFFAOYSA-N -1 3 349.398 2.180 20 30 EEEDHM C=C[C@H](CC)CC(=O)N1CCO[C@@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588521833 1348912902 /nfs/dbraw/zinc/91/29/02/1348912902.db2.gz UJCSFSKJVBONHJ-CZUORRHYSA-N -1 3 341.415 2.369 20 30 EEEDHM C=C[C@H](CC)CC(=O)N1CCO[C@@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588521833 1348912906 /nfs/dbraw/zinc/91/29/06/1348912906.db2.gz UJCSFSKJVBONHJ-CZUORRHYSA-N -1 3 341.415 2.369 20 30 EEEDHM C=CCCC[C@@H](C)NS(=O)(=O)Cc1csc(-c2nnn[n-]2)c1 ZINC001588593862 1348922196 /nfs/dbraw/zinc/92/21/96/1348922196.db2.gz IZFPTSBVMBCQKY-SNVBAGLBSA-N -1 3 341.462 2.092 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)c1csnn1 ZINC001588649074 1348926970 /nfs/dbraw/zinc/92/69/70/1348926970.db2.gz VKFLUZSAAIFCAV-LLVKDONJSA-N -1 3 327.417 2.467 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)c1csnn1 ZINC001588649074 1348926973 /nfs/dbraw/zinc/92/69/73/1348926973.db2.gz VKFLUZSAAIFCAV-LLVKDONJSA-N -1 3 327.417 2.467 20 30 EEEDHM C=CCN1CC[C@H](Sc2ccc(Cl)cc2-c2nnn[n-]2)C1=O ZINC001588657580 1348928286 /nfs/dbraw/zinc/92/82/86/1348928286.db2.gz QHKURZAZEQGXJG-LBPRGKRZSA-N -1 3 335.820 2.399 20 30 EEEDHM C=CCN1CC[C@H](Sc2ccc(Cl)cc2-c2nn[n-]n2)C1=O ZINC001588657580 1348928290 /nfs/dbraw/zinc/92/82/90/1348928290.db2.gz QHKURZAZEQGXJG-LBPRGKRZSA-N -1 3 335.820 2.399 20 30 EEEDHM C=CCOCCCOC(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588682598 1348929038 /nfs/dbraw/zinc/92/90/38/1348929038.db2.gz IEVVRIOXDFOKGJ-UHFFFAOYSA-N -1 3 348.378 2.419 20 30 EEEDHM C=CCOCCCOC(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588682598 1348929042 /nfs/dbraw/zinc/92/90/42/1348929042.db2.gz IEVVRIOXDFOKGJ-UHFFFAOYSA-N -1 3 348.378 2.419 20 30 EEEDHM CC(=NN[C@H]1CCOC(C)(C)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC001588776380 1348935567 /nfs/dbraw/zinc/93/55/67/1348935567.db2.gz KLCNPWSEYNVUDN-LBPRGKRZSA-N -1 3 332.383 2.277 20 30 EEEDHM CC(=NN[C@H]1CCOC(C)(C)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC001588776380 1348935570 /nfs/dbraw/zinc/93/55/70/1348935570.db2.gz KLCNPWSEYNVUDN-LBPRGKRZSA-N -1 3 332.383 2.277 20 30 EEEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)CC#N ZINC001589788474 1349043096 /nfs/dbraw/zinc/04/30/96/1349043096.db2.gz ZFFSWGDDLKESLT-JTQLQIEISA-N -1 3 329.364 2.078 20 30 EEEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)CC#N ZINC001589788474 1349043101 /nfs/dbraw/zinc/04/31/01/1349043101.db2.gz ZFFSWGDDLKESLT-JTQLQIEISA-N -1 3 329.364 2.078 20 30 EEEDHM C[C@@H](NC(=O)c1cccc(CC#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589945916 1349072997 /nfs/dbraw/zinc/07/29/97/1349072997.db2.gz JLLMMZVDVFJDDG-GFCCVEGCSA-N -1 3 332.367 2.424 20 30 EEEDHM C[C@@H](NC(=O)c1cccc(CC#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589945916 1349073004 /nfs/dbraw/zinc/07/30/04/1349073004.db2.gz JLLMMZVDVFJDDG-GFCCVEGCSA-N -1 3 332.367 2.424 20 30 EEEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccc(C#N)cc1 ZINC001590022355 1349113096 /nfs/dbraw/zinc/11/30/96/1349113096.db2.gz KVGZMGPUBAOLMQ-GFCCVEGCSA-N -1 3 349.350 2.249 20 30 EEEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(C#N)cc1 ZINC001590024916 1349114221 /nfs/dbraw/zinc/11/42/21/1349114221.db2.gz PHCOWXDHNMKLCZ-LLVKDONJSA-N -1 3 334.339 2.144 20 30 EEEDHM C[C@@H]1CCc2nc(NC(=O)CCCCC#N)c(-c3nnn[n-]3)cc2C1 ZINC001590283065 1349247131 /nfs/dbraw/zinc/24/71/31/1349247131.db2.gz SOFSUFGPUKNBHG-LLVKDONJSA-N -1 3 339.403 2.409 20 30 EEEDHM C[C@@H]1CCc2nc(NC(=O)CCCCC#N)c(-c3nn[n-]n3)cc2C1 ZINC001590283065 1349247135 /nfs/dbraw/zinc/24/71/35/1349247135.db2.gz SOFSUFGPUKNBHG-LLVKDONJSA-N -1 3 339.403 2.409 20 30 EEEDHM CN(C[C@@H](O)c1cccc(-c2nnn[n-]2)c1)[C@H](C#N)c1ccccc1 ZINC001591053015 1349434793 /nfs/dbraw/zinc/43/47/93/1349434793.db2.gz KSUIREVOUQWXRX-IAGOWNOFSA-N -1 3 334.383 2.097 20 30 EEEDHM CN(C[C@@H](O)c1cccc(-c2nn[n-]n2)c1)[C@H](C#N)c1ccccc1 ZINC001591053015 1349434798 /nfs/dbraw/zinc/43/47/98/1349434798.db2.gz KSUIREVOUQWXRX-IAGOWNOFSA-N -1 3 334.383 2.097 20 30 EEEDHM COc1cc2c(cc1C=NNc1ccc(-c3nn[n-]n3)cc1)OCO2 ZINC001591555694 1349507049 /nfs/dbraw/zinc/50/70/49/1349507049.db2.gz XCWGORKYSRNZKZ-UHFFFAOYSA-N -1 3 338.327 2.050 20 30 EEEDHM C[C@@H](O)CSc1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2 ZINC001591731646 1349535978 /nfs/dbraw/zinc/53/59/78/1349535978.db2.gz OTKYTADPXKFGLE-SNVBAGLBSA-N -1 3 344.444 2.265 20 30 EEEDHM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)ncc1C#N ZINC001592030850 1349584971 /nfs/dbraw/zinc/58/49/71/1349584971.db2.gz YCJDVMNWWQIXGN-UHFFFAOYSA-N -1 3 339.746 2.348 20 30 EEEDHM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)ncc1C#N ZINC001592030850 1349584975 /nfs/dbraw/zinc/58/49/75/1349584975.db2.gz YCJDVMNWWQIXGN-UHFFFAOYSA-N -1 3 339.746 2.348 20 30 EEEDHM N#Cc1ccc2c(c1)N(c1cc(-c3nnn[n-]3)ccc1[N+](=O)[O-])CC2 ZINC001592698222 1349707770 /nfs/dbraw/zinc/70/77/70/1349707770.db2.gz PIPGXCXPGMORQT-UHFFFAOYSA-N -1 3 333.311 2.341 20 30 EEEDHM N#Cc1ccc2c(c1)N(c1cc(-c3nn[n-]n3)ccc1[N+](=O)[O-])CC2 ZINC001592698222 1349707774 /nfs/dbraw/zinc/70/77/74/1349707774.db2.gz PIPGXCXPGMORQT-UHFFFAOYSA-N -1 3 333.311 2.341 20 30 EEEDHM N#Cc1cccc([N+](=O)[O-])c1COc1ccc(-c2nnn[n-]2)cc1F ZINC001592703465 1349708981 /nfs/dbraw/zinc/70/89/81/1349708981.db2.gz YBCOOUSIDCODHQ-UHFFFAOYSA-N -1 3 340.274 2.365 20 30 EEEDHM N#Cc1cccc([N+](=O)[O-])c1COc1ccc(-c2nn[n-]n2)cc1F ZINC001592703465 1349708982 /nfs/dbraw/zinc/70/89/82/1349708982.db2.gz YBCOOUSIDCODHQ-UHFFFAOYSA-N -1 3 340.274 2.365 20 30 EEEDHM O=C1C(=Cc2cccc(-c3nnn[n-]3)c2)COc2cc3c(cc21)OCO3 ZINC001593381140 1349794991 /nfs/dbraw/zinc/79/49/91/1349794991.db2.gz XFJZJAVEALWHMJ-XGICHPGQSA-N -1 3 348.318 2.254 20 30 EEEDHM O=C1C(=Cc2cccc(-c3nn[n-]n3)c2)COc2cc3c(cc21)OCO3 ZINC001593381140 1349795004 /nfs/dbraw/zinc/79/50/04/1349795004.db2.gz XFJZJAVEALWHMJ-XGICHPGQSA-N -1 3 348.318 2.254 20 30 EEEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3cc(=O)[n-]cn3)cc2)nc1 ZINC001597990066 1349934393 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Cc1ccc(C#N)cc1C(=O)N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001581137784 1344592018 /nfs/dbraw/zinc/59/20/18/1344592018.db2.gz HDHBALPNYBFMCF-UHFFFAOYSA-N -1 3 330.351 2.250 20 30 EEEDHM Cc1ccc(C#N)cc1C(=O)N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001581137784 1344592020 /nfs/dbraw/zinc/59/20/20/1344592020.db2.gz HDHBALPNYBFMCF-UHFFFAOYSA-N -1 3 330.351 2.250 20 30 EEEDHM N#CCc1cccc2c1CCN(C(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC001581859450 1344680318 /nfs/dbraw/zinc/68/03/18/1344680318.db2.gz IPWLVJPNWBOKNL-UHFFFAOYSA-N -1 3 344.378 2.131 20 30 EEEDHM N#CCc1cccc2c1CCN(C(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC001581859450 1344680322 /nfs/dbraw/zinc/68/03/22/1344680322.db2.gz IPWLVJPNWBOKNL-UHFFFAOYSA-N -1 3 344.378 2.131 20 30 EEEDHM N#Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1F ZINC001581866562 1344682237 /nfs/dbraw/zinc/68/22/37/1344682237.db2.gz JTGLBSPTKJFGFF-UHFFFAOYSA-N -1 3 326.266 2.269 20 30 EEEDHM N#Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1F ZINC001581866562 1344682240 /nfs/dbraw/zinc/68/22/40/1344682240.db2.gz JTGLBSPTKJFGFF-UHFFFAOYSA-N -1 3 326.266 2.269 20 30 EEEDHM N#Cc1cc(NC(=O)C[C@@H]2Cc3ccccc3O2)ccc1-c1nnn[n-]1 ZINC001581866532 1344682434 /nfs/dbraw/zinc/68/24/34/1344682434.db2.gz HYXMGQDIXMTWPA-AWEZNQCLSA-N -1 3 346.350 2.071 20 30 EEEDHM N#Cc1cc(NC(=O)C[C@@H]2Cc3ccccc3O2)ccc1-c1nn[n-]n1 ZINC001581866532 1344682438 /nfs/dbraw/zinc/68/24/38/1344682438.db2.gz HYXMGQDIXMTWPA-AWEZNQCLSA-N -1 3 346.350 2.071 20 30 EEEDHM C#C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001588328459 1348888769 /nfs/dbraw/zinc/88/87/69/1348888769.db2.gz HQDKWFWLBRTWEY-LBPRGKRZSA-N -1 3 327.344 2.172 20 30 EEEDHM C#C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001588328459 1348888771 /nfs/dbraw/zinc/88/87/71/1348888771.db2.gz HQDKWFWLBRTWEY-LBPRGKRZSA-N -1 3 327.344 2.172 20 30 EEEDHM C#C[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001588329791 1348888975 /nfs/dbraw/zinc/88/89/75/1348888975.db2.gz NOOURABKPXJOAC-BXUZGUMPSA-N -1 3 326.404 2.275 20 30 EEEDHM C#C[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001588329791 1348888979 /nfs/dbraw/zinc/88/89/79/1348888979.db2.gz NOOURABKPXJOAC-BXUZGUMPSA-N -1 3 326.404 2.275 20 30 EEEDHM C#CC1(NC(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)CCCC1 ZINC001588333351 1348890840 /nfs/dbraw/zinc/89/08/40/1348890840.db2.gz NCFDJMFKSOWXFN-UHFFFAOYSA-N -1 3 332.314 2.212 20 30 EEEDHM C#CC1(NC(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)CCCC1 ZINC001588333351 1348890845 /nfs/dbraw/zinc/89/08/45/1348890845.db2.gz NCFDJMFKSOWXFN-UHFFFAOYSA-N -1 3 332.314 2.212 20 30 EEEDHM C#CCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588340954 1348891914 /nfs/dbraw/zinc/89/19/14/1348891914.db2.gz NUKPICJGSADWNR-UHFFFAOYSA-N -1 3 334.177 2.371 20 30 EEEDHM C#CCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588340954 1348891920 /nfs/dbraw/zinc/89/19/20/1348891920.db2.gz NUKPICJGSADWNR-UHFFFAOYSA-N -1 3 334.177 2.371 20 30 EEEDHM C#CC[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(Br)c2)C1 ZINC001588337351 1348892483 /nfs/dbraw/zinc/89/24/83/1348892483.db2.gz NPANRDUSTXQGQG-JTQLQIEISA-N -1 3 332.205 2.479 20 30 EEEDHM C#CC[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(Br)c2)C1 ZINC001588337351 1348892489 /nfs/dbraw/zinc/89/24/89/1348892489.db2.gz NPANRDUSTXQGQG-JTQLQIEISA-N -1 3 332.205 2.479 20 30 EEEDHM C#CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(-c2nnn[n-]2)cc1 ZINC001588351999 1348894780 /nfs/dbraw/zinc/89/47/80/1348894780.db2.gz QTFKJAZKOADIKZ-KRWDZBQOSA-N -1 3 330.351 2.066 20 30 EEEDHM C#CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(-c2nn[n-]n2)cc1 ZINC001588351999 1348894784 /nfs/dbraw/zinc/89/47/84/1348894784.db2.gz QTFKJAZKOADIKZ-KRWDZBQOSA-N -1 3 330.351 2.066 20 30 EEEDHM C#CCN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001588352091 1348895283 /nfs/dbraw/zinc/89/52/83/1348895283.db2.gz SEPOJWHQBYIYRA-UHFFFAOYSA-N -1 3 347.378 2.151 20 30 EEEDHM C#CCN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001588352091 1348895289 /nfs/dbraw/zinc/89/52/89/1348895289.db2.gz SEPOJWHQBYIYRA-UHFFFAOYSA-N -1 3 347.378 2.151 20 30 EEEDHM C=C(C)CCC(=O)NC[C@@H](CC)Nc1ncc(-c2nnn[n-]2)cc1F 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2.395 20 30 EEEDHM C=C(Cl)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(C)CC ZINC001588448461 1348906227 /nfs/dbraw/zinc/90/62/27/1348906227.db2.gz ZWQWMPSJEIZIID-UHFFFAOYSA-N -1 3 344.810 2.334 20 30 EEEDHM C=C(Cl)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(C)CC ZINC001588448461 1348906230 /nfs/dbraw/zinc/90/62/30/1348906230.db2.gz ZWQWMPSJEIZIID-UHFFFAOYSA-N -1 3 344.810 2.334 20 30 EEEDHM C=C[C@H](CC)CC(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588523879 1348912135 /nfs/dbraw/zinc/91/21/35/1348912135.db2.gz MUMJQYQYRNKTPX-QWHCGFSZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@H](CC)CC(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588523879 1348912140 /nfs/dbraw/zinc/91/21/40/1348912140.db2.gz MUMJQYQYRNKTPX-QWHCGFSZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CC[C@H](CC)NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001588542255 1348915102 /nfs/dbraw/zinc/91/51/02/1348915102.db2.gz YQGKNGGGIOVDLB-ZDUSSCGKSA-N -1 3 329.404 2.495 20 30 EEEDHM C=CC[C@H](CC)NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588542255 1348915105 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C=CCN(CCC#N)C(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588632330 1348925299 /nfs/dbraw/zinc/92/52/99/1348925299.db2.gz VHSHJEKIZVWVEY-UHFFFAOYSA-N -1 3 342.378 2.212 20 30 EEEDHM C=CCN(CCC#N)C(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588632330 1348925301 /nfs/dbraw/zinc/92/53/01/1348925301.db2.gz VHSHJEKIZVWVEY-UHFFFAOYSA-N -1 3 342.378 2.212 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)c1nnc(C(C)C)n1C ZINC001588652287 1348927477 /nfs/dbraw/zinc/92/74/77/1348927477.db2.gz RHTQOGKVUIZHHK-UHFFFAOYSA-N -1 3 338.419 2.311 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)c1nnc(C(C)C)n1C ZINC001588652287 1348927480 /nfs/dbraw/zinc/92/74/80/1348927480.db2.gz RHTQOGKVUIZHHK-UHFFFAOYSA-N -1 3 338.419 2.311 20 30 EEEDHM C=CCOCCSCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC001588688868 1348928925 /nfs/dbraw/zinc/92/89/25/1348928925.db2.gz BOWNVFNPUWTZFQ-UHFFFAOYSA-N -1 3 336.417 2.190 20 30 EEEDHM C=CCOCCSCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC001588688868 1348928926 /nfs/dbraw/zinc/92/89/26/1348928926.db2.gz 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EEEDHM Cc1c(C(=O)N2CCc3cc(C#N)ccc32)cccc1-c1nnn[n-]1 ZINC001580532168 1344531472 /nfs/dbraw/zinc/53/14/72/1344531472.db2.gz QMYGFXVKXZDYTD-UHFFFAOYSA-N -1 3 330.351 2.250 20 30 EEEDHM Cc1c(C(=O)N2CCc3cc(C#N)ccc32)cccc1-c1nn[n-]n1 ZINC001580532168 1344531473 /nfs/dbraw/zinc/53/14/73/1344531473.db2.gz QMYGFXVKXZDYTD-UHFFFAOYSA-N -1 3 330.351 2.250 20 30 EEEDHM Cc1nsc(N(C)C(=O)c2ccc(C)c(-c3nnn[n-]3)c2)c1C#N ZINC001581142586 1344592946 /nfs/dbraw/zinc/59/29/46/1344592946.db2.gz LQRZKYHJVQXVQP-UHFFFAOYSA-N -1 3 339.384 2.088 20 30 EEEDHM Cc1nsc(N(C)C(=O)c2ccc(C)c(-c3nn[n-]n3)c2)c1C#N ZINC001581142586 1344592950 /nfs/dbraw/zinc/59/29/50/1344592950.db2.gz LQRZKYHJVQXVQP-UHFFFAOYSA-N -1 3 339.384 2.088 20 30 EEEDHM N#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC001581857124 1344678158 /nfs/dbraw/zinc/67/81/58/1344678158.db2.gz QKCUIBCDYWMEKA-ARFHVFGLSA-N -1 3 336.399 2.169 20 30 EEEDHM N#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC001581857124 1344678164 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C#C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001588327922 1348886291 /nfs/dbraw/zinc/88/62/91/1348886291.db2.gz URQJIESINJOXPK-QOHRORDFSA-N -1 3 329.363 2.371 20 30 EEEDHM C#C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001588327922 1348886296 /nfs/dbraw/zinc/88/62/96/1348886296.db2.gz URQJIESINJOXPK-QOHRORDFSA-N -1 3 329.363 2.371 20 30 EEEDHM C#C[C@H](C)N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC001588325607 1348886887 /nfs/dbraw/zinc/88/68/87/1348886887.db2.gz QFSAYOAMLSBCCC-NSHDSACASA-N -1 3 328.376 2.139 20 30 EEEDHM C#C[C@H](C)N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC001588325607 1348886891 /nfs/dbraw/zinc/88/68/91/1348886891.db2.gz QFSAYOAMLSBCCC-NSHDSACASA-N -1 3 328.376 2.139 20 30 EEEDHM C#C[C@@H](NC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C)C(C)C ZINC001588327015 1348886964 /nfs/dbraw/zinc/88/69/64/1348886964.db2.gz AAPKIWNPVMPDGA-ZBFHGGJFSA-N -1 3 341.415 2.044 20 30 EEEDHM C#C[C@@H](NC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C)C(C)C ZINC001588327015 1348886969 /nfs/dbraw/zinc/88/69/69/1348886969.db2.gz AAPKIWNPVMPDGA-ZBFHGGJFSA-N -1 3 341.415 2.044 20 30 EEEDHM C#Cc1ccccc1CC(=O)Nc1cc(-c2nn[n-]n2)ccc1NCC ZINC001588376812 1348897884 /nfs/dbraw/zinc/89/78/84/1348897884.db2.gz LVXPRTUJROUOAB-UHFFFAOYSA-N -1 3 346.394 2.461 20 30 EEEDHM C#Cc1cccc(CNC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC001588374961 1348898272 /nfs/dbraw/zinc/89/82/72/1348898272.db2.gz YKNSUMSKTHKRBK-UHFFFAOYSA-N -1 3 346.394 2.190 20 30 EEEDHM C#Cc1cccc(CNC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC001588374961 1348898280 /nfs/dbraw/zinc/89/82/80/1348898280.db2.gz YKNSUMSKTHKRBK-UHFFFAOYSA-N -1 3 346.394 2.190 20 30 EEEDHM C(=NNCCCOCc1ccccc1)c1csc(-c2nnn[n-]2)c1 ZINC001588381739 1348898732 /nfs/dbraw/zinc/89/87/32/1348898732.db2.gz RWVPDPSIKLWGQG-UHFFFAOYSA-N -1 3 342.428 2.459 20 30 EEEDHM C=C(C)C[C@H](C)C(=O)N(CCOC)c1ccc(-c2nnn[n-]2)cc1 ZINC001588400812 1348900294 /nfs/dbraw/zinc/90/02/94/1348900294.db2.gz GRMWZNDAGHRZQJ-ZDUSSCGKSA-N -1 3 329.404 2.448 20 30 EEEDHM C=C(C)C[C@H](C)C(=O)N(CCOC)c1ccc(-c2nn[n-]n2)cc1 ZINC001588400812 1348900296 /nfs/dbraw/zinc/90/02/96/1348900296.db2.gz GRMWZNDAGHRZQJ-ZDUSSCGKSA-N -1 3 329.404 2.448 20 30 EEEDHM C=C(C)CONC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC001588429654 1348903921 /nfs/dbraw/zinc/90/39/21/1348903921.db2.gz MDSPBFLFSGBXIB-UHFFFAOYSA-N -1 3 328.159 2.411 20 30 EEEDHM C=C(C)CONC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC001588429654 1348903924 /nfs/dbraw/zinc/90/39/24/1348903924.db2.gz MDSPBFLFSGBXIB-UHFFFAOYSA-N -1 3 328.159 2.411 20 30 EEEDHM C=CC(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588476373 1348908200 /nfs/dbraw/zinc/90/82/00/1348908200.db2.gz VWEBUOKFJHVKJS-IUCAKERBSA-N -1 3 349.464 2.149 20 30 EEEDHM C=CC(C)(C)CCNS(=O)(=O)c1c(C)cccc1-c1nnn[n-]1 ZINC001588488953 1348909277 /nfs/dbraw/zinc/90/92/77/1348909277.db2.gz RPJSIHRRWCFUIA-UHFFFAOYSA-N -1 3 335.433 2.056 20 30 EEEDHM C=CC(C)(C)CCNS(=O)(=O)c1c(C)cccc1-c1nn[n-]n1 ZINC001588488953 1348909281 /nfs/dbraw/zinc/90/92/81/1348909281.db2.gz RPJSIHRRWCFUIA-UHFFFAOYSA-N -1 3 335.433 2.056 20 30 EEEDHM C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588496356 1348910321 /nfs/dbraw/zinc/91/03/21/1348910321.db2.gz PWFRYGPEODSCHY-SJCJKPOMSA-N -1 3 329.404 2.273 20 30 EEEDHM C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588496356 1348910323 /nfs/dbraw/zinc/91/03/23/1348910323.db2.gz PWFRYGPEODSCHY-SJCJKPOMSA-N -1 3 329.404 2.273 20 30 EEEDHM C=CC[C@H](CC)NS(=O)(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588541913 1348914815 /nfs/dbraw/zinc/91/48/15/1348914815.db2.gz UUVDWWWQVRJLMM-AWEZNQCLSA-N -1 3 349.460 2.258 20 30 EEEDHM C=CC[C@H](CC)NS(=O)(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588541913 1348914817 /nfs/dbraw/zinc/91/48/17/1348914817.db2.gz UUVDWWWQVRJLMM-AWEZNQCLSA-N -1 3 349.460 2.258 20 30 EEEDHM C=CC[C@H]1CCN(C(=O)[C@@H](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588565244 1348917754 /nfs/dbraw/zinc/91/77/54/1348917754.db2.gz XDXKQIUANCHRQP-ZFWWWQNUSA-N -1 3 325.416 2.470 20 30 EEEDHM C=CC[C@H]1CCN(C(=O)[C@@H](C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588565244 1348917756 /nfs/dbraw/zinc/91/77/56/1348917756.db2.gz XDXKQIUANCHRQP-ZFWWWQNUSA-N -1 3 325.416 2.470 20 30 EEEDHM C=CCC[C@@H](NCc1c(C)cc(-c2nnn[n-]2)cc1C)C(=O)OCC ZINC001588578601 1348919758 /nfs/dbraw/zinc/91/97/58/1348919758.db2.gz BWHWFILGAPWPEI-MRXNPFEDSA-N -1 3 343.431 2.471 20 30 EEEDHM C=CCC[C@@H](NCc1c(C)cc(-c2nn[n-]n2)cc1C)C(=O)OCC ZINC001588578601 1348919760 /nfs/dbraw/zinc/91/97/60/1348919760.db2.gz BWHWFILGAPWPEI-MRXNPFEDSA-N -1 3 343.431 2.471 20 30 EEEDHM C=CCCCC(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588588451 1348921726 /nfs/dbraw/zinc/92/17/26/1348921726.db2.gz OBSRFYVWXFLZKV-CQSZACIVSA-N -1 3 341.419 2.021 20 30 EEEDHM C=CCCCC(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588588451 1348921729 /nfs/dbraw/zinc/92/17/29/1348921729.db2.gz OBSRFYVWXFLZKV-CQSZACIVSA-N -1 3 341.419 2.021 20 30 EEEDHM C=CCCO[C@H](C)C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588608442 1348923150 /nfs/dbraw/zinc/92/31/50/1348923150.db2.gz MGPDEUTWXFHINA-MLGOLLRUSA-N -1 3 341.415 2.342 20 30 EEEDHM C=CCCO[C@H](C)C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588608442 1348923153 /nfs/dbraw/zinc/92/31/53/1348923153.db2.gz MGPDEUTWXFHINA-MLGOLLRUSA-N -1 3 341.415 2.342 20 30 EEEDHM C=CCN(CC=C)C(=O)CSc1cccc(F)c1-c1nnn[n-]1 ZINC001588631374 1348924000 /nfs/dbraw/zinc/92/40/00/1348924000.db2.gz BQJNGCDCOWBOIX-UHFFFAOYSA-N -1 3 333.392 2.299 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccnc(C)c1 ZINC001588647635 1348926530 /nfs/dbraw/zinc/92/65/30/1348926530.db2.gz AMCKDHFKHOYRQK-UHFFFAOYSA-N -1 3 334.383 2.399 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccnc(C)c1 ZINC001588647635 1348926534 /nfs/dbraw/zinc/92/65/34/1348926534.db2.gz AMCKDHFKHOYRQK-UHFFFAOYSA-N -1 3 334.383 2.399 20 30 EEEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(-n2cncn2)cc1 ZINC001588780792 1348935367 /nfs/dbraw/zinc/93/53/67/1348935367.db2.gz OFTSLLCEUPYVIU-UHFFFAOYSA-N -1 3 345.370 2.284 20 30 EEEDHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(NCc2cncc(C#N)c2)n1 ZINC001589222735 1348972562 /nfs/dbraw/zinc/97/25/62/1348972562.db2.gz UOXUFLMGRKUIQW-UHFFFAOYSA-N -1 3 334.387 2.438 20 30 EEEDHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(NCc2cncc(C#N)c2)n1 ZINC001589222735 1348972565 /nfs/dbraw/zinc/97/25/65/1348972565.db2.gz UOXUFLMGRKUIQW-UHFFFAOYSA-N -1 3 334.387 2.438 20 30 EEEDHM CC(C)C(Cn1cccn1)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001589462107 1348992245 /nfs/dbraw/zinc/99/22/45/1348992245.db2.gz ZFJHUFXKCJBZSD-UHFFFAOYSA-N -1 3 345.798 2.236 20 30 EEEDHM CC(C)C(Cn1cccn1)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001589462107 1348992250 /nfs/dbraw/zinc/99/22/50/1348992250.db2.gz ZFJHUFXKCJBZSD-UHFFFAOYSA-N -1 3 345.798 2.236 20 30 EEEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CC#N)c1ccccc1 ZINC001590020043 1349110898 /nfs/dbraw/zinc/11/08/98/1349110898.db2.gz IYTBMKKDRHDCSN-ZDUSSCGKSA-N -1 3 348.366 2.191 20 30 EEEDHM C[C@@]1(C#N)CCCN(C(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC001590054488 1349133810 /nfs/dbraw/zinc/13/38/10/1349133810.db2.gz KURKXKLNULHYPF-KRWDZBQOSA-N -1 3 336.399 2.051 20 30 EEEDHM C[C@@]1(C#N)CCCN(C(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC001590054488 1349133816 /nfs/dbraw/zinc/13/38/16/1349133816.db2.gz KURKXKLNULHYPF-KRWDZBQOSA-N -1 3 336.399 2.051 20 30 EEEDHM CCC(=Nn1cc(Br)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590360094 1349283061 /nfs/dbraw/zinc/28/30/61/1349283061.db2.gz TZXYGKBABURNON-UHFFFAOYSA-N -1 3 346.192 2.488 20 30 EEEDHM CCC(=Nn1cc(Br)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590360094 1349283064 /nfs/dbraw/zinc/28/30/64/1349283064.db2.gz TZXYGKBABURNON-UHFFFAOYSA-N -1 3 346.192 2.488 20 30 EEEDHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2nc(C#N)cs2)n1 ZINC001591944294 1349565271 /nfs/dbraw/zinc/56/52/71/1349565271.db2.gz DRMXWPJPFFWPHZ-UHFFFAOYSA-N -1 3 329.414 2.499 20 30 EEEDHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2nc(C#N)cs2)n1 ZINC001591944294 1349565277 /nfs/dbraw/zinc/56/52/77/1349565277.db2.gz DRMXWPJPFFWPHZ-UHFFFAOYSA-N -1 3 329.414 2.499 20 30 EEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CC(=O)c1cc(C)c(C)cc1C ZINC001591945666 1349565373 /nfs/dbraw/zinc/56/53/73/1349565373.db2.gz NFGPVDRJKNGLON-UHFFFAOYSA-N -1 3 335.371 2.051 20 30 EEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CC(=O)c1cc(C)c(C)cc1C ZINC001591945666 1349565377 /nfs/dbraw/zinc/56/53/77/1349565377.db2.gz NFGPVDRJKNGLON-UHFFFAOYSA-N -1 3 335.371 2.051 20 30 EEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CCCOc1c(C)cccc1C ZINC001592227527 1349612465 /nfs/dbraw/zinc/61/24/65/1349612465.db2.gz HITASBRUZAXVMX-UHFFFAOYSA-N -1 3 337.387 2.329 20 30 EEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CCCOc1c(C)cccc1C ZINC001592227527 1349612466 /nfs/dbraw/zinc/61/24/66/1349612466.db2.gz HITASBRUZAXVMX-UHFFFAOYSA-N -1 3 337.387 2.329 20 30 EEEDHM N#C[C@@]1(F)CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)C1 ZINC001592670940 1349703698 /nfs/dbraw/zinc/70/36/98/1349703698.db2.gz VYMIBZLRPMCPCJ-HNNXBMFYSA-N -1 3 345.288 2.135 20 30 EEEDHM N#C[C@@]1(F)CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)C1 ZINC001592670940 1349703702 /nfs/dbraw/zinc/70/37/02/1349703702.db2.gz VYMIBZLRPMCPCJ-HNNXBMFYSA-N -1 3 345.288 2.135 20 30 EEEDHM N#Cc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Cl)ccn1 ZINC001592687991 1349705393 /nfs/dbraw/zinc/70/53/93/1349705393.db2.gz RBRIIEUZHHCCKC-UHFFFAOYSA-N -1 3 340.730 2.144 20 30 EEEDHM N#Cc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Cl)ccn1 ZINC001592687991 1349705394 /nfs/dbraw/zinc/70/53/94/1349705394.db2.gz RBRIIEUZHHCCKC-UHFFFAOYSA-N -1 3 340.730 2.144 20 30 EEEDHM N#Cc1ccc2c(c1)CN(C(=O)c1ccc(-c3nnn[n-]3)cc1F)C2 ZINC001592698129 1349707850 /nfs/dbraw/zinc/70/78/50/1349707850.db2.gz JMYKRTPDKFRHQP-UHFFFAOYSA-N -1 3 334.314 2.033 20 30 EEEDHM N#Cc1ccc2c(c1)CN(C(=O)c1ccc(-c3nn[n-]n3)cc1F)C2 ZINC001592698129 1349707853 /nfs/dbraw/zinc/70/78/53/1349707853.db2.gz JMYKRTPDKFRHQP-UHFFFAOYSA-N -1 3 334.314 2.033 20 30 EEEDHM N#Cc1sc(NC(=O)c2cccc(-c3nnn[n-]3)c2)nc1Cl ZINC001592712039 1349710421 /nfs/dbraw/zinc/71/04/21/1349710421.db2.gz WQBWTZDQBOIVAG-UHFFFAOYSA-N -1 3 331.748 2.101 20 30 EEEDHM N#Cc1sc(NC(=O)c2cccc(-c3nn[n-]n3)c2)nc1Cl ZINC001592712039 1349710426 /nfs/dbraw/zinc/71/04/26/1349710426.db2.gz WQBWTZDQBOIVAG-UHFFFAOYSA-N -1 3 331.748 2.101 20 30 EEEDHM O=C1C(=Cc2cn(C3CC3)cn2)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001593380247 1349795349 /nfs/dbraw/zinc/79/53/49/1349795349.db2.gz NJURLXKHDPHODZ-IZZDOVSWSA-N -1 3 333.355 2.006 20 30 EEEDHM O=C1C(=Cc2cn(C3CC3)cn2)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001593380247 1349795351 /nfs/dbraw/zinc/79/53/51/1349795351.db2.gz NJURLXKHDPHODZ-IZZDOVSWSA-N -1 3 333.355 2.006 20 30 EEEDHM C#CC[C@H](OC(=O)c1ccc(C)c(-c2nnn[n-]2)c1)c1ccccn1 ZINC001602696945 1350574795 /nfs/dbraw/zinc/57/47/95/1350574795.db2.gz HYWOOEWKGXYRKW-INIZCTEOSA-N -1 3 333.351 2.492 20 30 EEEDHM C#CC[C@H](OC(=O)c1ccc(C)c(-c2nn[n-]n2)c1)c1ccccn1 ZINC001602696945 1350574796 /nfs/dbraw/zinc/57/47/96/1350574796.db2.gz HYWOOEWKGXYRKW-INIZCTEOSA-N -1 3 333.351 2.492 20 30 EEEDHM C=CC(C)(C)CC(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001602785455 1350586177 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EEEDHM CCCNc1ccc(C#N)cc1NC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001609216258 1351897332 /nfs/dbraw/zinc/89/73/32/1351897332.db2.gz SZTQDYQPDUFXCS-UHFFFAOYSA-N -1 3 348.370 2.208 20 30 EEEDHM CCCNc1ccc(C#N)cc1NC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001609216258 1351897341 /nfs/dbraw/zinc/89/73/41/1351897341.db2.gz SZTQDYQPDUFXCS-UHFFFAOYSA-N -1 3 348.370 2.208 20 30 EEEDHM COc1cc(C=NNCc2cc(F)ccc2F)ccc1-c1nnn[n-]1 ZINC001609341396 1351938576 /nfs/dbraw/zinc/93/85/76/1351938576.db2.gz OCNQRJRXAPOYCL-UHFFFAOYSA-N -1 3 344.325 2.277 20 30 EEEDHM COc1cc(C=NNCc2cc(F)ccc2F)ccc1-c1nn[n-]n1 ZINC001609341396 1351938578 /nfs/dbraw/zinc/93/85/78/1351938578.db2.gz OCNQRJRXAPOYCL-UHFFFAOYSA-N -1 3 344.325 2.277 20 30 EEEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(C#N)c1C ZINC001609351463 1351942238 /nfs/dbraw/zinc/94/22/38/1351942238.db2.gz VOIHQSZCXXEAGQ-UHFFFAOYSA-N -1 3 334.339 2.308 20 30 EEEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(C#N)c1C ZINC001609351463 1351942241 /nfs/dbraw/zinc/94/22/41/1351942241.db2.gz 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C=C(CC)CNC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC001588442651 1348905104 /nfs/dbraw/zinc/90/51/04/1348905104.db2.gz QIGBITCTPAXOHD-UHFFFAOYSA-N -1 3 346.460 2.361 20 30 EEEDHM C=CC(C)(C)C(=O)N[C@H](C)CCNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588474604 1348906856 /nfs/dbraw/zinc/90/68/56/1348906856.db2.gz FCWLXJSFZQXUBC-GFCCVEGCSA-N -1 3 343.435 2.089 20 30 EEEDHM C=CC(C)(C)C(=O)N[C@H](C)CCNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588474604 1348906860 /nfs/dbraw/zinc/90/68/60/1348906860.db2.gz FCWLXJSFZQXUBC-GFCCVEGCSA-N -1 3 343.435 2.089 20 30 EEEDHM C=CC(C)(C)CC(=O)N(C)CCCNc1ccc(-c2nnn[n-]2)nc1 ZINC001588481980 1348907845 /nfs/dbraw/zinc/90/78/45/1348907845.db2.gz QDSQTSBSECDRHQ-UHFFFAOYSA-N -1 3 343.435 2.124 20 30 EEEDHM C=CC(C)(C)CC(=O)N(C)CCCNc1ccc(-c2nn[n-]n2)nc1 ZINC001588481980 1348907849 /nfs/dbraw/zinc/90/78/49/1348907849.db2.gz QDSQTSBSECDRHQ-UHFFFAOYSA-N -1 3 343.435 2.124 20 30 EEEDHM C=CC[C@@H]1CCCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588559987 1348917045 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EEEDHM C=CCC[C@H](NCc1c(C)cc(-c2nn[n-]n2)cc1C)C(=O)OCC ZINC001588578600 1348920016 /nfs/dbraw/zinc/92/00/16/1348920016.db2.gz BWHWFILGAPWPEI-INIZCTEOSA-N -1 3 343.431 2.471 20 30 EEEDHM C=CCN(C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)[C@@H](C)COC ZINC001588625451 1348924522 /nfs/dbraw/zinc/92/45/22/1348924522.db2.gz KMSWNSPVIPQAPD-STQMWFEESA-N -1 3 344.419 2.160 20 30 EEEDHM C=CCN(C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)[C@@H](C)COC ZINC001588625451 1348924525 /nfs/dbraw/zinc/92/45/25/1348924525.db2.gz KMSWNSPVIPQAPD-STQMWFEESA-N -1 3 344.419 2.160 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cc(C)nnc1C ZINC001588649264 1348926821 /nfs/dbraw/zinc/92/68/21/1348926821.db2.gz XVOJCNTXSDEYBF-UHFFFAOYSA-N -1 3 335.415 2.462 20 30 EEEDHM C[C@H](C#N)N(Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1)C1CC1 ZINC001588934468 1348949259 /nfs/dbraw/zinc/94/92/59/1348949259.db2.gz MYVATJUQLUSQCT-GFCCVEGCSA-N -1 3 334.387 2.064 20 30 EEEDHM C[C@H](C#N)N(Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1)C1CC1 ZINC001588934468 1348949261 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2.210 20 30 EEEDHM Cc1nsc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC001581683529 1344653225 /nfs/dbraw/zinc/65/32/25/1344653225.db2.gz CDBKHYFAHOYJCM-UHFFFAOYSA-N -1 3 339.384 2.075 20 30 EEEDHM Cc1nsc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC001581683529 1344653228 /nfs/dbraw/zinc/65/32/28/1344653228.db2.gz CDBKHYFAHOYJCM-UHFFFAOYSA-N -1 3 339.384 2.075 20 30 EEEDHM N#CCC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001581857566 1344678730 /nfs/dbraw/zinc/67/87/30/1344678730.db2.gz CVYRGQVPDZIPJA-JKSUJKDBSA-N -1 3 336.399 2.122 20 30 EEEDHM N#CCC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001581857566 1344678738 /nfs/dbraw/zinc/67/87/38/1344678738.db2.gz CVYRGQVPDZIPJA-JKSUJKDBSA-N -1 3 336.399 2.122 20 30 EEEDHM N#CCc1ccc(CNC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC001581859265 1344680937 /nfs/dbraw/zinc/68/09/37/1344680937.db2.gz DJPBYJFIEJXKRM-UHFFFAOYSA-N -1 3 336.330 2.002 20 30 EEEDHM N#CCc1ccc(CNC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC001581859265 1344680942 /nfs/dbraw/zinc/68/09/42/1344680942.db2.gz DJPBYJFIEJXKRM-UHFFFAOYSA-N -1 3 336.330 2.002 20 30 EEEDHM N#Cc1ccc(F)c(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC001581871334 1344683273 /nfs/dbraw/zinc/68/32/73/1344683273.db2.gz QBYJGWWTTWTMLS-UHFFFAOYSA-N -1 3 337.318 2.199 20 30 EEEDHM N#Cc1ccc(F)c(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC001581871334 1344683277 /nfs/dbraw/zinc/68/32/77/1344683277.db2.gz QBYJGWWTTWTMLS-UHFFFAOYSA-N -1 3 337.318 2.199 20 30 EEEDHM N#Cc1cccc(CNC(=O)Nc2sccc2-c2nnn[n-]2)c1 ZINC001581875049 1344683733 /nfs/dbraw/zinc/68/37/33/1344683733.db2.gz TVOYSHRTCCFNCM-UHFFFAOYSA-N -1 3 325.357 2.122 20 30 EEEDHM N#Cc1cccc(CNC(=O)Nc2sccc2-c2nn[n-]n2)c1 ZINC001581875049 1344683739 /nfs/dbraw/zinc/68/37/39/1344683739.db2.gz TVOYSHRTCCFNCM-UHFFFAOYSA-N -1 3 325.357 2.122 20 30 EEEDHM N#CCCn1ccc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)n1 ZINC001586592380 1348852583 /nfs/dbraw/zinc/85/25/83/1348852583.db2.gz GZZISXKBVNJOGL-UHFFFAOYSA-N -1 3 343.293 2.169 20 30 EEEDHM C#C[C@H](C)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001588325075 1348887299 /nfs/dbraw/zinc/88/72/99/1348887299.db2.gz FLLGFNDKGMHLQZ-QMMMGPOBSA-N -1 3 338.293 2.371 20 30 EEEDHM C#C[C@H](C)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001588325075 1348887302 /nfs/dbraw/zinc/88/73/02/1348887302.db2.gz FLLGFNDKGMHLQZ-QMMMGPOBSA-N -1 3 338.293 2.371 20 30 EEEDHM C#C[C@H]1CCCN(c2nc3cc(Cl)ccn3c2-c2nnn[n-]2)C1 ZINC001588332779 1348889125 /nfs/dbraw/zinc/88/91/25/1348889125.db2.gz SAONJMCPOWEERV-JTQLQIEISA-N -1 3 327.779 2.017 20 30 EEEDHM C#C[C@H]1CCCN(c2nc3cc(Cl)ccn3c2-c2nn[n-]n2)C1 ZINC001588332779 1348889126 /nfs/dbraw/zinc/88/91/26/1348889126.db2.gz SAONJMCPOWEERV-JTQLQIEISA-N -1 3 327.779 2.017 20 30 EEEDHM C#CCOc1ccc(C(=O)Nc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC001588361798 1348895363 /nfs/dbraw/zinc/89/53/63/1348895363.db2.gz JUICJNFDKIZYHL-UHFFFAOYSA-N -1 3 349.350 2.140 20 30 EEEDHM C#CCOc1ccc(C(=O)Nc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC001588361798 1348895366 /nfs/dbraw/zinc/89/53/66/1348895366.db2.gz JUICJNFDKIZYHL-UHFFFAOYSA-N -1 3 349.350 2.140 20 30 EEEDHM C#CCOc1ccc(COC(=O)c2cscc2-c2nnn[n-]2)cc1 ZINC001588361804 1348895522 /nfs/dbraw/zinc/89/55/22/1348895522.db2.gz KDQVEOKOTHHGDR-UHFFFAOYSA-N -1 3 340.364 2.297 20 30 EEEDHM C#CCOc1ccc(COC(=O)c2cscc2-c2nn[n-]n2)cc1 ZINC001588361804 1348895529 /nfs/dbraw/zinc/89/55/29/1348895529.db2.gz KDQVEOKOTHHGDR-UHFFFAOYSA-N -1 3 340.364 2.297 20 30 EEEDHM C(=NNCCCOCc1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC001588381570 1348899597 /nfs/dbraw/zinc/89/95/97/1348899597.db2.gz JBRGHGWONSAAPW-UHFFFAOYSA-N -1 3 342.428 2.459 20 30 EEEDHM C(=NNCCCOCc1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC001588381570 1348899605 /nfs/dbraw/zinc/89/96/05/1348899605.db2.gz JBRGHGWONSAAPW-UHFFFAOYSA-N -1 3 342.428 2.459 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N1CCO[C@@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588393601 1348899991 /nfs/dbraw/zinc/89/99/91/1348899991.db2.gz QAWRKTTWHLKOQX-OAHLLOKOSA-N -1 3 341.415 2.369 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N1CCO[C@@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588393601 1348899995 /nfs/dbraw/zinc/89/99/95/1348899995.db2.gz QAWRKTTWHLKOQX-OAHLLOKOSA-N -1 3 341.415 2.369 20 30 EEEDHM C=C(C)C[C@H](Nc1ncc(-c2nnn[n-]2)c2ccsc21)C(=O)OC ZINC001588410336 1348902022 /nfs/dbraw/zinc/90/20/22/1348902022.db2.gz OMSAVIIQDVNFEK-NSHDSACASA-N -1 3 344.400 2.396 20 30 EEEDHM C=C(C)C[C@H](Nc1ncc(-c2nn[n-]n2)c2ccsc21)C(=O)OC ZINC001588410336 1348902025 /nfs/dbraw/zinc/90/20/25/1348902025.db2.gz OMSAVIIQDVNFEK-NSHDSACASA-N -1 3 344.400 2.396 20 30 EEEDHM C=C(C)CCC(=O)N(C)CCN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588410875 1348902376 /nfs/dbraw/zinc/90/23/76/1348902376.db2.gz YLOMXPALQDHGHU-UHFFFAOYSA-N -1 3 346.410 2.257 20 30 EEEDHM C=C(C)CCC(=O)N(C)CCN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588410875 1348902379 /nfs/dbraw/zinc/90/23/79/1348902379.db2.gz YLOMXPALQDHGHU-UHFFFAOYSA-N -1 3 346.410 2.257 20 30 EEEDHM C=C(C)CCC(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588415527 1348902704 /nfs/dbraw/zinc/90/27/04/1348902704.db2.gz NCUMERVSQWURRP-RYUDHWBXSA-N -1 3 343.435 2.232 20 30 EEEDHM C=C(C)CCC(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588415527 1348902707 /nfs/dbraw/zinc/90/27/07/1348902707.db2.gz NCUMERVSQWURRP-RYUDHWBXSA-N -1 3 343.435 2.232 20 30 EEEDHM C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001588475512 1348907325 /nfs/dbraw/zinc/90/73/25/1348907325.db2.gz MFQWGYRQJJJRMB-VXGBXAGGSA-N -1 3 343.435 2.169 20 30 EEEDHM C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001588475512 1348907328 /nfs/dbraw/zinc/90/73/28/1348907328.db2.gz MFQWGYRQJJJRMB-VXGBXAGGSA-N -1 3 343.435 2.169 20 30 EEEDHM C=CC(C)(C)C(=O)NC[C@H](CC)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588474917 1348907514 /nfs/dbraw/zinc/90/75/14/1348907514.db2.gz KYUWAAIABURLDK-JTQLQIEISA-N -1 3 349.464 2.151 20 30 EEEDHM C=CC1(CC(=O)NCc2cncc(-c3nnn[n-]3)c2)CCCCC1 ZINC001588527895 1348913713 /nfs/dbraw/zinc/91/37/13/1348913713.db2.gz YUMNEYXCUZSNPX-UHFFFAOYSA-N -1 3 326.404 2.405 20 30 EEEDHM C=CC1(CC(=O)NCc2cncc(-c3nn[n-]n3)c2)CCCCC1 ZINC001588527895 1348913715 /nfs/dbraw/zinc/91/37/15/1348913715.db2.gz YUMNEYXCUZSNPX-UHFFFAOYSA-N -1 3 326.404 2.405 20 30 EEEDHM C=CC[C@@H](CO)CNc1cccc(Br)c1-c1nnn[n-]1 ZINC001588545685 1348914878 /nfs/dbraw/zinc/91/48/78/1348914878.db2.gz KOKMWLZDJKXVNC-SECBINFHSA-N -1 3 338.209 2.226 20 30 EEEDHM C=CC[C@@H](CO)CNc1cccc(Br)c1-c1nn[n-]n1 ZINC001588545685 1348914882 /nfs/dbraw/zinc/91/48/82/1348914882.db2.gz KOKMWLZDJKXVNC-SECBINFHSA-N -1 3 338.209 2.226 20 30 EEEDHM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588560738 1348916348 /nfs/dbraw/zinc/91/63/48/1348916348.db2.gz UNPKQSGEPTUKFT-DOMZBBRYSA-N -1 3 347.444 2.280 20 30 EEEDHM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588560738 1348916351 /nfs/dbraw/zinc/91/63/51/1348916351.db2.gz UNPKQSGEPTUKFT-DOMZBBRYSA-N -1 3 347.444 2.280 20 30 EEEDHM C=CC[C@@H]1CCCN(C(=O)NCc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588559259 1348916415 /nfs/dbraw/zinc/91/64/15/1348916415.db2.gz ILWILTHXVBZHAZ-LLVKDONJSA-N -1 3 332.433 2.426 20 30 EEEDHM C=CC[C@H]1CCN1C(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588563981 1348917493 /nfs/dbraw/zinc/91/74/93/1348917493.db2.gz HGHKCKUCTXUJNR-AWEZNQCLSA-N -1 3 329.379 2.460 20 30 EEEDHM C=CC[C@H]1CCN1C(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588563981 1348917498 /nfs/dbraw/zinc/91/74/98/1348917498.db2.gz HGHKCKUCTXUJNR-AWEZNQCLSA-N -1 3 329.379 2.460 20 30 EEEDHM C=CCCCC(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588590156 1348921938 /nfs/dbraw/zinc/92/19/38/1348921938.db2.gz AIPRUPHANWPDGX-LBPRGKRZSA-N -1 3 343.435 2.233 20 30 EEEDHM C=CCCCC(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588590156 1348921941 /nfs/dbraw/zinc/92/19/41/1348921941.db2.gz AIPRUPHANWPDGX-LBPRGKRZSA-N -1 3 343.435 2.233 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCC[C@H]1OC ZINC001588638939 1348925489 /nfs/dbraw/zinc/92/54/89/1348925489.db2.gz KATAHMLLONMROW-HZPDHXFCSA-N -1 3 341.415 2.196 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCC[C@H]1OC ZINC001588638939 1348925492 /nfs/dbraw/zinc/92/54/92/1348925492.db2.gz KATAHMLLONMROW-HZPDHXFCSA-N -1 3 341.415 2.196 20 30 EEEDHM C=CCN(Cc1cnn2c1CCC2)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588652354 1348927013 /nfs/dbraw/zinc/92/70/13/1348927013.db2.gz VHALUWUQVWLVQL-UHFFFAOYSA-N -1 3 335.415 2.198 20 30 EEEDHM C=CCOc1cccnc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001588688459 1348929411 /nfs/dbraw/zinc/92/94/11/1348929411.db2.gz GMXOYOTYKBAMJE-UHFFFAOYSA-N -1 3 340.318 2.218 20 30 EEEDHM C=CCOc1cccnc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001588688459 1348929413 /nfs/dbraw/zinc/92/94/13/1348929413.db2.gz GMXOYOTYKBAMJE-UHFFFAOYSA-N -1 3 340.318 2.218 20 30 EEEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001590022527 1349113257 /nfs/dbraw/zinc/11/32/57/1349113257.db2.gz DSPYLODGCPPOKZ-LLVKDONJSA-N -1 3 334.339 2.144 20 30 EEEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001590022527 1349113263 /nfs/dbraw/zinc/11/32/63/1349113263.db2.gz DSPYLODGCPPOKZ-LLVKDONJSA-N -1 3 334.339 2.144 20 30 EEEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H]1CCCC[C@H]1C#N ZINC001590031603 1349119411 /nfs/dbraw/zinc/11/94/11/1349119411.db2.gz QPTNBYXXIKKXOG-SGMGOOAPSA-N -1 3 341.371 2.260 20 30 EEEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H]1CCCC[C@H]1C#N ZINC001590031603 1349119418 /nfs/dbraw/zinc/11/94/18/1349119418.db2.gz QPTNBYXXIKKXOG-SGMGOOAPSA-N -1 3 341.371 2.260 20 30 EEEDHM CN(Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1ccc(F)c(C#N)c1 ZINC001591128524 1349440039 /nfs/dbraw/zinc/44/00/39/1349440039.db2.gz RNCPUOCVWSSFJI-UHFFFAOYSA-N -1 3 342.359 2.211 20 30 EEEDHM CN(Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1ccc(F)c(C#N)c1 ZINC001591128524 1349440043 /nfs/dbraw/zinc/44/00/43/1349440043.db2.gz RNCPUOCVWSSFJI-UHFFFAOYSA-N -1 3 342.359 2.211 20 30 EEEDHM COc1cc(CN=Nc2cc(Cl)nc(C)n2)ccc1-c1nnn[n-]1 ZINC001591522213 1349496656 /nfs/dbraw/zinc/49/66/56/1349496656.db2.gz DBJRJWWVJMZINY-UHFFFAOYSA-N -1 3 344.766 2.073 20 30 EEEDHM COc1cc(CN=Nc2cc(Cl)nc(C)n2)ccc1-c1nn[n-]n1 ZINC001591522213 1349496664 /nfs/dbraw/zinc/49/66/64/1349496664.db2.gz DBJRJWWVJMZINY-UHFFFAOYSA-N -1 3 344.766 2.073 20 30 EEEDHM COc1cc(C=C2c3ccc(C#N)cc3NC2=O)ccc1-c1nnn[n-]1 ZINC001591523137 1349497341 /nfs/dbraw/zinc/49/73/41/1349497341.db2.gz RYKUSYZHBIPNSF-MKMNVTDBSA-N -1 3 344.334 2.240 20 30 EEEDHM COc1cc(C=C2c3ccc(C#N)cc3NC2=O)ccc1-c1nn[n-]n1 ZINC001591523137 1349497345 /nfs/dbraw/zinc/49/73/45/1349497345.db2.gz RYKUSYZHBIPNSF-MKMNVTDBSA-N -1 3 344.334 2.240 20 30 EEEDHM Cc1cc(C#N)ccc1N1CC[C@H](Oc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001591906492 1349554404 /nfs/dbraw/zinc/55/44/04/1349554404.db2.gz LNTZYSAHESUMTI-HNNXBMFYSA-N -1 3 347.382 2.100 20 30 EEEDHM Cc1cc(C#N)ccc1N1CC[C@H](Oc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001591906492 1349554408 /nfs/dbraw/zinc/55/44/08/1349554408.db2.gz LNTZYSAHESUMTI-HNNXBMFYSA-N -1 3 347.382 2.100 20 30 EEEDHM Cc1csc(NC(=O)COc2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC001592316405 1349620893 /nfs/dbraw/zinc/62/08/93/1349620893.db2.gz ZLXBNPWMHOEZKF-UHFFFAOYSA-N -1 3 340.368 2.126 20 30 EEEDHM Cc1csc(NC(=O)COc2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC001592316405 1349620895 /nfs/dbraw/zinc/62/08/95/1349620895.db2.gz ZLXBNPWMHOEZKF-UHFFFAOYSA-N -1 3 340.368 2.126 20 30 EEEDHM N#C[C@@]1(F)CCN(c2ccc(-c3nnn[n-]3)c(Br)c2)C1 ZINC001592670646 1349703954 /nfs/dbraw/zinc/70/39/54/1349703954.db2.gz JEYPACVBMZFUBN-LBPRGKRZSA-N -1 3 337.156 2.071 20 30 EEEDHM N#C[C@@]1(F)CCN(c2ccc(-c3nn[n-]n3)c(Br)c2)C1 ZINC001592670646 1349703956 /nfs/dbraw/zinc/70/39/56/1349703956.db2.gz JEYPACVBMZFUBN-LBPRGKRZSA-N -1 3 337.156 2.071 20 30 EEEDHM N#CC1(c2ccccc2)CC(NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001592671175 1349703965 /nfs/dbraw/zinc/70/39/65/1349703965.db2.gz HNGHTOFIVMQYRQ-UHFFFAOYSA-N -1 3 337.412 2.037 20 30 EEEDHM N#CC1(c2ccccc2)CC(NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001592671175 1349703967 /nfs/dbraw/zinc/70/39/67/1349703967.db2.gz HNGHTOFIVMQYRQ-UHFFFAOYSA-N -1 3 337.412 2.037 20 30 EEEDHM 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Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1nc(-c2ccccc2)oc1C ZINC001606165179 1351279747 /nfs/dbraw/zinc/27/97/47/1351279747.db2.gz PHXPPJKVGPDYQV-UHFFFAOYSA-N -1 3 346.354 2.255 20 30 EEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1nc(-c2ccccc2)oc1C ZINC001606165179 1351279749 /nfs/dbraw/zinc/27/97/49/1351279749.db2.gz PHXPPJKVGPDYQV-UHFFFAOYSA-N -1 3 346.354 2.255 20 30 EEEDHM N#CC[C@H]1CCCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001606346428 1351295618 /nfs/dbraw/zinc/29/56/18/1351295618.db2.gz QNVPEPVAXFUQLW-SECBINFHSA-N -1 3 331.311 2.044 20 30 EEEDHM N#CC[C@H]1CCCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001606346428 1351295623 /nfs/dbraw/zinc/29/56/23/1351295623.db2.gz QNVPEPVAXFUQLW-SECBINFHSA-N -1 3 331.311 2.044 20 30 EEEDHM O=C1C(=Cc2ccc3c(c2)CCO3)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001607036491 1351402404 /nfs/dbraw/zinc/40/24/04/1351402404.db2.gz HRMHMMMXKMKPDD-ZSOIEALJSA-N -1 3 345.362 2.409 20 30 EEEDHM O=C1C(=Cc2ccc3c(c2)CCO3)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001607036491 1351402407 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COc1nc(Cl)ccc1S(=O)(=O)[N-][C@](C)(C#N)CC(C)C ZINC001198731125 1368641398 /nfs/dbraw/zinc/64/13/98/1368641398.db2.gz SWMXPEDSLRKRQU-ZDUSSCGKSA-N -1 3 331.825 2.350 20 30 EEEDHM C=C(Cl)CNCc1cc(=O)[n-]c(CNC(=O)c2ccccc2C)n1 ZINC001489070809 1369123919 /nfs/dbraw/zinc/12/39/19/1369123919.db2.gz LLHRZIZVWKKCNN-UHFFFAOYSA-N -1 3 346.818 2.263 20 30 EEEDHM CCCCCCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000862358883 1369531879 /nfs/dbraw/zinc/53/18/79/1369531879.db2.gz YXVQWMRYUXTXII-UHFFFAOYSA-N -1 3 330.425 2.434 20 30 EEEDHM CN(C(=O)c1ccccc1[O-])[C@H](CNc1cnc(C#N)cn1)C1CC1 ZINC001115472127 1371636485 /nfs/dbraw/zinc/63/64/85/1371636485.db2.gz MGLIFICEGZCJDX-OAHLLOKOSA-N -1 3 337.383 2.017 20 30 EEEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837372907 1372783099 /nfs/dbraw/zinc/78/30/99/1372783099.db2.gz RNIOAMWJHUQBFS-LLVKDONJSA-N -1 3 339.351 2.442 20 30 EEEDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ncc(C#N)cc2Cl)n1 ZINC001363465608 1373522809 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C=CCCNC(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001588609806 1348923175 /nfs/dbraw/zinc/92/31/75/1348923175.db2.gz UVJLZXHAXBCFRA-LLVKDONJSA-N -1 3 340.309 2.345 20 30 EEEDHM C=CCCNC(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001588609806 1348923178 /nfs/dbraw/zinc/92/31/78/1348923178.db2.gz UVJLZXHAXBCFRA-LLVKDONJSA-N -1 3 340.309 2.345 20 30 EEEDHM CC(C)(C(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589055374 1348955690 /nfs/dbraw/zinc/95/56/90/1348955690.db2.gz WNCYOTMSDZZSIU-WFASDCNBSA-N -1 3 338.415 2.343 20 30 EEEDHM CC(C)(C(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589055374 1348955692 /nfs/dbraw/zinc/95/56/92/1348955692.db2.gz WNCYOTMSDZZSIU-WFASDCNBSA-N -1 3 338.415 2.343 20 30 EEEDHM CC(C)(CCC#N)CNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001589273093 1348977985 /nfs/dbraw/zinc/97/79/85/1348977985.db2.gz VPAHKDASBCPHJF-UHFFFAOYSA-N -1 3 344.444 2.405 20 30 EEEDHM CC(C)(CCC#N)CNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001589273093 1348977987 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EEEDHM C=CCn1c(C(F)F)nnc1N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001602878475 1350599633 /nfs/dbraw/zinc/59/96/33/1350599633.db2.gz CFXLTEHVPMDITD-UHFFFAOYSA-N -1 3 344.329 2.102 20 30 EEEDHM C=CCn1c(C(F)F)nnc1N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001602878475 1350599635 /nfs/dbraw/zinc/59/96/35/1350599635.db2.gz CFXLTEHVPMDITD-UHFFFAOYSA-N -1 3 344.329 2.102 20 30 EEEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001603580266 1350723481 /nfs/dbraw/zinc/72/34/81/1350723481.db2.gz FXDPVUMNIMHYAW-YVEFUNNKSA-N -1 3 326.404 2.100 20 30 EEEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603580266 1350723484 /nfs/dbraw/zinc/72/34/84/1350723484.db2.gz FXDPVUMNIMHYAW-YVEFUNNKSA-N -1 3 326.404 2.100 20 30 EEEDHM CC[C@@H](OCCn1c(C)nc(C#N)c1-c1nnn[n-]1)c1ccccc1 ZINC001604071226 1350846798 /nfs/dbraw/zinc/84/67/98/1350846798.db2.gz KOPOJXDXSCZCPZ-OAHLLOKOSA-N -1 3 337.387 2.411 20 30 EEEDHM CC[C@@H](OCCn1c(C)nc(C#N)c1-c1nn[n-]n1)c1ccccc1 ZINC001604071226 1350846799 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/nfs/dbraw/zinc/95/61/72/1279956172.db2.gz PNYMQASHMSXJET-UHFFFAOYSA-N -1 3 337.740 2.088 20 30 EEEDHM N#Cc1ccc(C(=O)[N-]c2nonc2-c2nc3ccccc3[nH]2)nc1 ZINC001190581385 1280962934 /nfs/dbraw/zinc/96/29/34/1280962934.db2.gz IMKMGMKUNRDHOK-UHFFFAOYSA-N -1 3 331.295 2.132 20 30 EEEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C1(C#N)CCCC1 ZINC001190592328 1280967732 /nfs/dbraw/zinc/96/77/32/1280967732.db2.gz CDIBXVKJTXJOCB-UHFFFAOYSA-N -1 3 342.804 2.241 20 30 EEEDHM COc1ccc(F)c(S(=O)(=O)[N-]C2=CC(=O)CC(C)(C)C2)c1 ZINC001196789325 1284252627 /nfs/dbraw/zinc/25/26/27/1284252627.db2.gz ROZTUGKIJIJIJH-UHFFFAOYSA-N -1 3 327.377 2.386 20 30 EEEDHM [O-]c1cc(Br)ccc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000853324385 1292354878 /nfs/dbraw/zinc/35/48/78/1292354878.db2.gz DHYGZFMIGRNCFL-TXEJJXNPSA-N -1 3 337.221 2.349 20 30 EEEDHM C=CCC[C@@H](NC(=O)NC[C@H](C)N(C)Cc1ccccc1)C(=O)[O-] ZINC000316287187 1298566511 /nfs/dbraw/zinc/56/65/11/1298566511.db2.gz GYRFPDDYFBFLEE-GOEBONIOSA-N -1 3 333.432 2.226 20 30 EEEDHM CN(CCNC(=O)c1ccccc1[O-])c1nc(C#N)c(Cl)s1 ZINC001099981063 1299562301 /nfs/dbraw/zinc/56/23/01/1299562301.db2.gz OCAXIWBLRHFORU-UHFFFAOYSA-N -1 3 336.804 2.240 20 30 EEEDHM Cc1cc(=O)c(C#N)c(OC[C@H]2CN(Cc3ccccc3)CCO2)[n-]1 ZINC001225469717 1301011888 /nfs/dbraw/zinc/01/18/88/1301011888.db2.gz NHKQGMZRMUCTOM-MRXNPFEDSA-N -1 3 339.395 2.247 20 30 EEEDHM Cc1cc(=O)[n-]c(O[C@H]2COCCN(Cc3ccccc3)C2)c1C#N ZINC001226224064 1301309628 /nfs/dbraw/zinc/30/96/28/1301309628.db2.gz ZMXJVIFVHRQLKJ-MRXNPFEDSA-N -1 3 339.395 2.247 20 30 EEEDHM C[C@H](CS)Oc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2 ZINC001230185610 1303102159 /nfs/dbraw/zinc/10/21/59/1303102159.db2.gz HFNLMCYQSBJBPL-GFCCVEGCSA-N -1 3 331.441 2.438 20 30 EEEDHM N#Cc1cccnc1N1CCC[C@@H]1CCNC(=O)c1ccccc1[O-] ZINC001103717575 1303257097 /nfs/dbraw/zinc/25/70/97/1303257097.db2.gz XAHMCKNETHQEQU-OAHLLOKOSA-N -1 3 336.395 2.448 20 30 EEEDHM N#CC1(NC(=O)[C@@]23C[C@@H]2CCN3Cc2c([O-])cccc2F)CCC1 ZINC001277484309 1303613958 /nfs/dbraw/zinc/61/39/58/1303613958.db2.gz MMYGZHNOQOPNSN-KPZWWZAWSA-N -1 3 329.375 2.058 20 30 EEEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1COCc2ccccc21 ZINC000782240632 1303999197 /nfs/dbraw/zinc/99/91/97/1303999197.db2.gz VTMDJTKWTWXSGQ-UHFFFAOYSA-N -1 3 330.409 2.083 20 30 EEEDHM CCOC[C@H]1Cn2nccc2CN(Cc2cc(C#N)ccc2[O-])C1 ZINC001232676796 1304212075 /nfs/dbraw/zinc/21/20/75/1304212075.db2.gz DKYNJHBOTWCPON-OAHLLOKOSA-N -1 3 326.400 2.129 20 30 EEEDHM C=CCOCc1nn(C)c2c1CN(Cc1ccc(C#N)cc1[O-])CC2 ZINC001233384991 1304451920 /nfs/dbraw/zinc/45/19/20/1304451920.db2.gz PZBGLABYPBADDN-UHFFFAOYSA-N -1 3 338.411 2.258 20 30 EEEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000798467102 1305005093 /nfs/dbraw/zinc/00/50/93/1305005093.db2.gz KMYHHUCNJMZBFH-SECBINFHSA-N -1 3 332.809 2.155 20 30 EEEDHM C=CCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC001259932933 1319745170 /nfs/dbraw/zinc/74/51/70/1319745170.db2.gz COXCXJRCEIIWMX-NSHDSACASA-N -1 3 338.212 2.313 20 30 EEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCn1cc(Cl)cn1 ZINC000837391089 1315077675 /nfs/dbraw/zinc/07/76/75/1315077675.db2.gz NDZZFZLETAVCBF-UHFFFAOYSA-N -1 3 348.790 2.302 20 30 EEEDHM N#Cc1cnnc(-c2ccccc2)c1[N-]C(=O)c1cc2ncccn2n1 ZINC001150678224 1316339644 /nfs/dbraw/zinc/33/96/44/1316339644.db2.gz SNCVZBRQXYPKCL-UHFFFAOYSA-N -1 3 341.334 2.310 20 30 EEEDHM C=C[C@@H]1C[C@]1(NC(=O)c1c(O)cc2ccccc2c1[O-])C(=O)OCC ZINC001154031502 1316940713 /nfs/dbraw/zinc/94/07/13/1316940713.db2.gz YLHVUBMCGHYTDA-CWTRNNRKSA-N -1 3 341.363 2.489 20 30 EEEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)sc1C(=O)OC ZINC001261063796 1322007072 /nfs/dbraw/zinc/00/70/72/1322007072.db2.gz JZZAWJSHMWLKKK-SSDOTTSWSA-N -1 3 336.822 2.159 20 30 EEEDHM C#CCCOC(=O)Oc1ccc(Br)cc1-c1nnn[n-]1 ZINC001602714564 1350577238 /nfs/dbraw/zinc/57/72/38/1350577238.db2.gz VCHQGYRPWUQHPR-UHFFFAOYSA-N -1 3 337.133 2.168 20 30 EEEDHM C#CCCOC(=O)Oc1ccc(Br)cc1-c1nn[n-]n1 ZINC001602714564 1350577244 /nfs/dbraw/zinc/57/72/44/1350577244.db2.gz VCHQGYRPWUQHPR-UHFFFAOYSA-N -1 3 337.133 2.168 20 30 EEEDHM C=C(CCC(=O)[O-])C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001602782357 1350585818 /nfs/dbraw/zinc/58/58/18/1350585818.db2.gz LVMCLOYTUZNHRQ-YOEHRIQHSA-N -1 3 330.428 2.434 20 30 EEEDHM C#CCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC001609020162 1351816425 /nfs/dbraw/zinc/81/64/25/1351816425.db2.gz SUHLEXYPSUHBKV-UHFFFAOYSA-N -1 3 336.298 2.315 20 30 EEEDHM C#CCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC001609020162 1351816432 /nfs/dbraw/zinc/81/64/32/1351816432.db2.gz SUHLEXYPSUHBKV-UHFFFAOYSA-N -1 3 336.298 2.315 20 30 EEEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609051057 1351824094 /nfs/dbraw/zinc/82/40/94/1351824094.db2.gz MVZHQKMLSLEMIW-BXUZGUMPSA-N -1 3 330.348 2.168 20 30 EEEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609051057 1351824097 /nfs/dbraw/zinc/82/40/97/1351824097.db2.gz MVZHQKMLSLEMIW-BXUZGUMPSA-N -1 3 330.348 2.168 20 30 EEEDHM CC(C)[C@@](C)(C#N)NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001609086998 1351836343 /nfs/dbraw/zinc/83/63/43/1351836343.db2.gz XNXLWCULMDOTNE-MRXNPFEDSA-N -1 3 344.444 2.154 20 30 EEEDHM CC(C)[C@@](C)(C#N)NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001609086998 1351836347 /nfs/dbraw/zinc/83/63/47/1351836347.db2.gz XNXLWCULMDOTNE-MRXNPFEDSA-N -1 3 344.444 2.154 20 30 EEEDHM Cc1ncc(CO)c(/C=N/Cc2cc(OCC(F)F)ccn2)c1[O-] ZINC001323522143 1333481426 /nfs/dbraw/zinc/48/14/26/1333481426.db2.gz NUNRAHKYTZNPAH-FBCYGCLPSA-N -1 3 337.326 2.246 20 30 EEEDHM C[C@](O)(CNc1c(C#N)cccc1-c1nnn[n-]1)c1cccs1 ZINC001609127309 1351854182 /nfs/dbraw/zinc/85/41/82/1351854182.db2.gz CKOXBTCDJDJICM-HNNXBMFYSA-N -1 3 326.385 2.119 20 30 EEEDHM C[C@](O)(CNc1c(C#N)cccc1-c1nn[n-]n1)c1cccs1 ZINC001609127309 1351854184 /nfs/dbraw/zinc/85/41/84/1351854184.db2.gz CKOXBTCDJDJICM-HNNXBMFYSA-N -1 3 326.385 2.119 20 30 EEEDHM C[C@@](O)(CNc1c(C#N)cccc1-c1nnn[n-]1)c1cccs1 ZINC001609127310 1351854220 /nfs/dbraw/zinc/85/42/20/1351854220.db2.gz CKOXBTCDJDJICM-OAHLLOKOSA-N -1 3 326.385 2.119 20 30 EEEDHM C[C@@](O)(CNc1c(C#N)cccc1-c1nn[n-]n1)c1cccs1 ZINC001609127310 1351854222 /nfs/dbraw/zinc/85/42/22/1351854222.db2.gz CKOXBTCDJDJICM-OAHLLOKOSA-N -1 3 326.385 2.119 20 30 EEEDHM C=CCCn1cc(CNC[C@@H](Cc2cccc(C)c2)C(=O)[O-])nn1 ZINC001327068009 1334215493 /nfs/dbraw/zinc/21/54/93/1334215493.db2.gz XTAACMXRKDVOCA-MRXNPFEDSA-N -1 3 328.416 2.196 20 30 EEEDHM O=C(C=Cc1ccccc1-n1cncn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609519772 1352002499 /nfs/dbraw/zinc/00/24/99/1352002499.db2.gz LKKZARBOXMWQCC-KTKRTIGZSA-N -1 3 343.350 2.344 20 30 EEEDHM O=C(C=Cc1ccccc1-n1cncn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609519772 1352002501 /nfs/dbraw/zinc/00/25/01/1352002501.db2.gz LKKZARBOXMWQCC-KTKRTIGZSA-N -1 3 343.350 2.344 20 30 EEEDHM C=CCn1c(CCc2nnn[n-]2)nnc1N(C)c1cccc(CC)c1 ZINC001351573668 1337828099 /nfs/dbraw/zinc/82/80/99/1337828099.db2.gz HYZABLLJFJAVMU-UHFFFAOYSA-N -1 3 338.419 2.093 20 30 EEEDHM C=CCn1c(CCc2nn[n-]n2)nnc1N(C)c1cccc(CC)c1 ZINC001351573668 1337828105 /nfs/dbraw/zinc/82/81/05/1337828105.db2.gz HYZABLLJFJAVMU-UHFFFAOYSA-N -1 3 338.419 2.093 20 30 EEEDHM C=CC[C@@H](NC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1)C(=O)[O-] ZINC001354038827 1338401216 /nfs/dbraw/zinc/40/12/16/1338401216.db2.gz ISDITXDTNGWJEF-IAGOWNOFSA-N -1 3 345.443 2.460 20 30 EEEDHM Cc1cc(C(=O)N2CCCc3c(-c4nnn[n-]4)cccc32)ncc1C#N ZINC001580807962 1344561106 /nfs/dbraw/zinc/56/11/06/1344561106.db2.gz HCRJXUDCYPZUDB-UHFFFAOYSA-N -1 3 345.366 2.035 20 30 EEEDHM Cc1cc(C(=O)N2CCCc3c(-c4nn[n-]n4)cccc32)ncc1C#N ZINC001580807962 1344561111 /nfs/dbraw/zinc/56/11/11/1344561111.db2.gz HCRJXUDCYPZUDB-UHFFFAOYSA-N -1 3 345.366 2.035 20 30 EEEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC001581133235 1344590216 /nfs/dbraw/zinc/59/02/16/1344590216.db2.gz RUJKTZPMRVHTKK-UHFFFAOYSA-N -1 3 332.367 2.319 20 30 EEEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC001581133235 1344590217 /nfs/dbraw/zinc/59/02/17/1344590217.db2.gz RUJKTZPMRVHTKK-UHFFFAOYSA-N -1 3 332.367 2.319 20 30 EEEDHM N#CC[C@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001581858277 1344679771 /nfs/dbraw/zinc/67/97/71/1344679771.db2.gz YCXVTDHVGXVFMM-INIZCTEOSA-N -1 3 332.367 2.180 20 30 EEEDHM N#CC[C@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001581858277 1344679774 /nfs/dbraw/zinc/67/97/74/1344679774.db2.gz YCXVTDHVGXVFMM-INIZCTEOSA-N -1 3 332.367 2.180 20 30 EEEDHM C#C[C@@H](NC(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21)C(C)(C)C ZINC001588329484 1348888103 /nfs/dbraw/zinc/88/81/03/1348888103.db2.gz HJMOBVFYUXCGOI-LSDHHAIUSA-N -1 3 338.415 2.201 20 30 EEEDHM C#C[C@@H](NC(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21)C(C)(C)C ZINC001588329484 1348888106 /nfs/dbraw/zinc/88/81/06/1348888106.db2.gz HJMOBVFYUXCGOI-LSDHHAIUSA-N -1 3 338.415 2.201 20 30 EEEDHM C#CC[C@H](OC(=O)COc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC001588334990 1348891051 /nfs/dbraw/zinc/89/10/51/1348891051.db2.gz SRMVFNBXFFLFCS-AWEZNQCLSA-N -1 3 328.372 2.227 20 30 EEEDHM C#CC[C@H](OC(=O)COc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC001588334990 1348891056 /nfs/dbraw/zinc/89/10/56/1348891056.db2.gz SRMVFNBXFFLFCS-AWEZNQCLSA-N -1 3 328.372 2.227 20 30 EEEDHM C#CC[C@@H](OC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001588333815 1348891469 /nfs/dbraw/zinc/89/14/69/1348891469.db2.gz FHHDNUXCMULLAL-CQSZACIVSA-N -1 3 328.372 2.227 20 30 EEEDHM C=C(C)CCC(=O)NC/C=C\CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588418286 1348902669 /nfs/dbraw/zinc/90/26/69/1348902669.db2.gz YSCCCWDCAQKBBV-PLNGDYQASA-N -1 3 341.419 2.011 20 30 EEEDHM C=C(C)CCC(=O)NC/C=C\CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588418286 1348902671 /nfs/dbraw/zinc/90/26/71/1348902671.db2.gz YSCCCWDCAQKBBV-PLNGDYQASA-N -1 3 341.419 2.011 20 30 EEEDHM C=C(C)CCC(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588416699 1348903513 /nfs/dbraw/zinc/90/35/13/1348903513.db2.gz YOGVQZXAZPCHRM-LBPRGKRZSA-N -1 3 343.435 2.091 20 30 EEEDHM C=C(C)CCC(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588416699 1348903518 /nfs/dbraw/zinc/90/35/18/1348903518.db2.gz YOGVQZXAZPCHRM-LBPRGKRZSA-N -1 3 343.435 2.091 20 30 EEEDHM C=C(Cl)CNC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588448869 1348906301 /nfs/dbraw/zinc/90/63/01/1348906301.db2.gz ANRZTCISJCBSHM-CYBMUJFWSA-N -1 3 332.795 2.296 20 30 EEEDHM C=C(Cl)CNC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588448869 1348906305 /nfs/dbraw/zinc/90/63/05/1348906305.db2.gz ANRZTCISJCBSHM-CYBMUJFWSA-N -1 3 332.795 2.296 20 30 EEEDHM C=CC(C)(C)C(=O)N[C@@H](C)CCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588475849 1348908255 /nfs/dbraw/zinc/90/82/55/1348908255.db2.gz PCLIYDVGEDLINF-NSHDSACASA-N -1 3 343.435 2.089 20 30 EEEDHM C=CC(C)(C)C(=O)N[C@@H](C)CCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588475849 1348908256 /nfs/dbraw/zinc/90/82/56/1348908256.db2.gz PCLIYDVGEDLINF-NSHDSACASA-N -1 3 343.435 2.089 20 30 EEEDHM C=C[C@@H]1CCCCN1C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588527459 1348913522 /nfs/dbraw/zinc/91/35/22/1348913522.db2.gz KRDLMCODLYMVQS-TZMCWYRMSA-N -1 3 327.388 2.201 20 30 EEEDHM C=C[C@@H](O)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC001588525886 1348913764 /nfs/dbraw/zinc/91/37/64/1348913764.db2.gz MTQWIFKQASAPLB-CQSZACIVSA-N -1 3 337.339 2.144 20 30 EEEDHM C=C[C@@H](O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC001588525886 1348913765 /nfs/dbraw/zinc/91/37/65/1348913765.db2.gz MTQWIFKQASAPLB-CQSZACIVSA-N -1 3 337.339 2.144 20 30 EEEDHM C=CCC(C)(C)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588531467 1348913918 /nfs/dbraw/zinc/91/39/18/1348913918.db2.gz CBRVOBFDCSACCZ-LBPRGKRZSA-N -1 3 343.435 2.123 20 30 EEEDHM C=CCC(C)(C)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588531467 1348913920 /nfs/dbraw/zinc/91/39/20/1348913920.db2.gz CBRVOBFDCSACCZ-LBPRGKRZSA-N -1 3 343.435 2.123 20 30 EEEDHM C=CC[C@H](CO)CNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F ZINC001588545319 1348914976 /nfs/dbraw/zinc/91/49/76/1348914976.db2.gz FGQVDYOKHYHKIG-VIFPVBQESA-N -1 3 327.310 2.482 20 30 EEEDHM C=CC[C@H](CO)CNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC001588545319 1348914981 /nfs/dbraw/zinc/91/49/81/1348914981.db2.gz FGQVDYOKHYHKIG-VIFPVBQESA-N -1 3 327.310 2.482 20 30 EEEDHM C=CCCC(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588575902 1348919802 /nfs/dbraw/zinc/91/98/02/1348919802.db2.gz COPVBONHTJGACI-LBPRGKRZSA-N -1 3 344.394 2.057 20 30 EEEDHM C=CCCC(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588575902 1348919804 /nfs/dbraw/zinc/91/98/04/1348919804.db2.gz COPVBONHTJGACI-LBPRGKRZSA-N -1 3 344.394 2.057 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCOC(C)C ZINC001588639458 1348926289 /nfs/dbraw/zinc/92/62/89/1348926289.db2.gz APEWPHAOCKODQQ-UHFFFAOYSA-N -1 3 329.404 2.196 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCOC(C)C ZINC001588639458 1348926292 /nfs/dbraw/zinc/92/62/92/1348926292.db2.gz APEWPHAOCKODQQ-UHFFFAOYSA-N -1 3 329.404 2.196 20 30 EEEDHM C=CCN(Cc1ccccc1F)C(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001588653617 1348926895 /nfs/dbraw/zinc/92/68/95/1348926895.db2.gz QACBSHPTRHGSIC-UHFFFAOYSA-N -1 3 340.362 2.471 20 30 EEEDHM C=CCN(Cc1ccccc1F)C(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001588653617 1348926899 /nfs/dbraw/zinc/92/68/99/1348926899.db2.gz QACBSHPTRHGSIC-UHFFFAOYSA-N -1 3 340.362 2.471 20 30 EEEDHM C=CCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001588658475 1348928412 /nfs/dbraw/zinc/92/84/12/1348928412.db2.gz MAOHEOMXCBXMNW-UHFFFAOYSA-N -1 3 337.343 2.362 20 30 EEEDHM C=CCOCCCOC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588682930 1348929240 /nfs/dbraw/zinc/92/92/40/1348929240.db2.gz LSTWGZFCWVBKHR-ZDUSSCGKSA-N -1 3 330.388 2.181 20 30 EEEDHM C=CCOCCCOC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588682930 1348929242 /nfs/dbraw/zinc/92/92/42/1348929242.db2.gz LSTWGZFCWVBKHR-ZDUSSCGKSA-N -1 3 330.388 2.181 20 30 EEEDHM C=CCSCCNc1ncc(Br)cc1-c1nnn[n-]1 ZINC001588694747 1348930352 /nfs/dbraw/zinc/93/03/52/1348930352.db2.gz LZQNQUGGKBVUIK-UHFFFAOYSA-N -1 3 341.238 2.355 20 30 EEEDHM C=CCSCCNc1ncc(Br)cc1-c1nn[n-]n1 ZINC001588694747 1348930354 /nfs/dbraw/zinc/93/03/54/1348930354.db2.gz LZQNQUGGKBVUIK-UHFFFAOYSA-N -1 3 341.238 2.355 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588718359 1348930774 /nfs/dbraw/zinc/93/07/74/1348930774.db2.gz JRFRROKWYLHXQZ-CVEARBPZSA-N -1 3 341.415 2.447 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588718359 1348930777 /nfs/dbraw/zinc/93/07/77/1348930777.db2.gz JRFRROKWYLHXQZ-CVEARBPZSA-N -1 3 341.415 2.447 20 30 EEEDHM CC#CCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001588746804 1348931686 /nfs/dbraw/zinc/93/16/86/1348931686.db2.gz WZFIQGFWUNWFMB-UHFFFAOYSA-N -1 3 326.404 2.200 20 30 EEEDHM CC#CCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001588746804 1348931688 /nfs/dbraw/zinc/93/16/88/1348931688.db2.gz WZFIQGFWUNWFMB-UHFFFAOYSA-N -1 3 326.404 2.200 20 30 EEEDHM C[C@@H](C#N)CN(C(=O)c1cc(-c2nnn[n-]2)ccc1Cl)C1CC1 ZINC001588930766 1348948892 /nfs/dbraw/zinc/94/88/92/1348948892.db2.gz KNADOFIDZABERR-VIFPVBQESA-N -1 3 330.779 2.284 20 30 EEEDHM C[C@@H](C#N)CN(C(=O)c1cc(-c2nn[n-]n2)ccc1Cl)C1CC1 ZINC001588930766 1348948896 /nfs/dbraw/zinc/94/88/96/1348948896.db2.gz KNADOFIDZABERR-VIFPVBQESA-N -1 3 330.779 2.284 20 30 EEEDHM CC(C)(NC(=O)Nc1ccc(C#N)cn1)c1cccc(-c2nnn[n-]2)c1 ZINC001589317718 1348983366 /nfs/dbraw/zinc/98/33/66/1348983366.db2.gz VKLYVKNDCZPBSS-UHFFFAOYSA-N -1 3 348.370 2.190 20 30 EEEDHM CC(C)(NC(=O)Nc1ccc(C#N)cn1)c1cccc(-c2nn[n-]n2)c1 ZINC001589317718 1348983368 /nfs/dbraw/zinc/98/33/68/1348983368.db2.gz VKLYVKNDCZPBSS-UHFFFAOYSA-N -1 3 348.370 2.190 20 30 EEEDHM C[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC001589924339 1349063132 /nfs/dbraw/zinc/06/31/32/1349063132.db2.gz UAXXLIAUUZUVPF-LBPRGKRZSA-N -1 3 347.382 2.028 20 30 EEEDHM C[C@@H]([NH2+][C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1cccc(C#N)c1[O-] ZINC001589953467 1349076671 /nfs/dbraw/zinc/07/66/71/1349076671.db2.gz FPKYNIMQOAFATD-BDJLRTHQSA-N -1 3 346.394 2.262 20 30 EEEDHM C[C@@H]([NH2+][C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1cccc(C#N)c1[O-] ZINC001589953467 1349076678 /nfs/dbraw/zinc/07/66/78/1349076678.db2.gz FPKYNIMQOAFATD-BDJLRTHQSA-N -1 3 346.394 2.262 20 30 EEEDHM C[C@@]1(C#N)CCN(c2cc(Br)ccc2-c2nn[n-]n2)C1 ZINC001590056821 1349135269 /nfs/dbraw/zinc/13/52/69/1349135269.db2.gz TZBAULZURAVNNG-ZDUSSCGKSA-N -1 3 333.193 2.369 20 30 EEEDHM C[C@H](Oc1ccccc1C#N)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001590031617 1349119574 /nfs/dbraw/zinc/11/95/74/1349119574.db2.gz RNFWNZJHLZZZOI-NSHDSACASA-N -1 3 335.323 2.111 20 30 EEEDHM C[C@H](Oc1ccccc1C#N)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001590031617 1349119580 /nfs/dbraw/zinc/11/95/80/1349119580.db2.gz RNFWNZJHLZZZOI-NSHDSACASA-N -1 3 335.323 2.111 20 30 EEEDHM C[C@@]1(C#N)CCN(c2cc(Br)ccc2-c2nnn[n-]2)C1 ZINC001590056821 1349135261 /nfs/dbraw/zinc/13/52/61/1349135261.db2.gz TZBAULZURAVNNG-ZDUSSCGKSA-N -1 3 333.193 2.369 20 30 EEEDHM CCC(C#N)(CC)C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC ZINC001590367323 1349286809 /nfs/dbraw/zinc/28/68/09/1349286809.db2.gz MLEVKBBTICBFQD-UHFFFAOYSA-N -1 3 329.360 2.248 20 30 EEEDHM CCC(C#N)(CC)C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC ZINC001590367323 1349286815 /nfs/dbraw/zinc/28/68/15/1349286815.db2.gz MLEVKBBTICBFQD-UHFFFAOYSA-N -1 3 329.360 2.248 20 30 EEEDHM CN(Cc1cc(C#N)cs1)C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001591129889 1349440385 /nfs/dbraw/zinc/44/03/85/1349440385.db2.gz BQYYMXKFMGDFRP-UHFFFAOYSA-N -1 3 330.398 2.134 20 30 EEEDHM COC(=O)c1occc1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001591308652 1349459396 /nfs/dbraw/zinc/45/93/96/1349459396.db2.gz QBMMKEBUGPMLGL-KPKJPENVSA-N -1 3 336.307 2.069 20 30 EEEDHM COC(=O)c1occc1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001591308652 1349459403 /nfs/dbraw/zinc/45/94/03/1349459403.db2.gz QBMMKEBUGPMLGL-KPKJPENVSA-N -1 3 336.307 2.069 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1NC(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC001591491288 1349492395 /nfs/dbraw/zinc/49/23/95/1349492395.db2.gz CFHCMGHIYOCVBL-WCQYABFASA-N -1 3 341.375 2.031 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1NC(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC001591491288 1349492399 /nfs/dbraw/zinc/49/23/99/1349492399.db2.gz CFHCMGHIYOCVBL-WCQYABFASA-N -1 3 341.375 2.031 20 30 EEEDHM COc1cc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)ccc1-c1nnn[n-]1 ZINC001591512300 1349495606 /nfs/dbraw/zinc/49/56/06/1349495606.db2.gz BJNCVNUUWUNVQH-APPDUMDISA-N -1 3 340.387 2.078 20 30 EEEDHM COc1cc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)ccc1-c1nn[n-]n1 ZINC001591512300 1349495607 /nfs/dbraw/zinc/49/56/07/1349495607.db2.gz BJNCVNUUWUNVQH-APPDUMDISA-N -1 3 340.387 2.078 20 30 EEEDHM Cc1cc(C(=O)O[C@H](C)c2cccc(C#N)c2)ncc1-c1nnn[n-]1 ZINC001591937828 1349562813 /nfs/dbraw/zinc/56/28/13/1349562813.db2.gz OBHVEAVFHYBTEV-LLVKDONJSA-N -1 3 334.339 2.360 20 30 EEEDHM Cc1cc(C(=O)O[C@H](C)c2cccc(C#N)c2)ncc1-c1nn[n-]n1 ZINC001591937828 1349562824 /nfs/dbraw/zinc/56/28/24/1349562824.db2.gz OBHVEAVFHYBTEV-LLVKDONJSA-N -1 3 334.339 2.360 20 30 EEEDHM N#Cc1cc(NC(=O)N2Cc3cccc(-c4nnn[n-]4)c3C2)ccc1F ZINC001592689134 1349705585 /nfs/dbraw/zinc/70/55/85/1349705585.db2.gz FDEBWMDPNZINOH-UHFFFAOYSA-N -1 3 349.329 2.425 20 30 EEEDHM N#Cc1cc(NC(=O)N2Cc3cccc(-c4nn[n-]n4)c3C2)ccc1F ZINC001592689134 1349705591 /nfs/dbraw/zinc/70/55/91/1349705591.db2.gz FDEBWMDPNZINOH-UHFFFAOYSA-N -1 3 349.329 2.425 20 30 EEEDHM N#Cc1ccc(C(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)c(F)c1 ZINC001592690832 1349706437 /nfs/dbraw/zinc/70/64/37/1349706437.db2.gz FTRFMTYNEAVWMY-UHFFFAOYSA-N -1 3 334.314 2.033 20 30 EEEDHM N#Cc1ccc(C(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)c(F)c1 ZINC001592690832 1349706442 /nfs/dbraw/zinc/70/64/42/1349706442.db2.gz FTRFMTYNEAVWMY-UHFFFAOYSA-N -1 3 334.314 2.033 20 30 EEEDHM N#Cc1ccccc1C=CC(=O)N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001592703446 1349708990 /nfs/dbraw/zinc/70/89/90/1349708990.db2.gz XDWQTGHOMOGCLH-VURMDHGXSA-N -1 3 342.362 2.341 20 30 EEEDHM N#Cc1ccccc1C=CC(=O)N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001592703446 1349708992 /nfs/dbraw/zinc/70/89/92/1349708992.db2.gz XDWQTGHOMOGCLH-VURMDHGXSA-N -1 3 342.362 2.341 20 30 EEEDHM Cc1cc(C)cc(N(CCC#N)C(=O)CNC2(CC(=O)[O-])CC2)c1 ZINC001600174891 1349985543 /nfs/dbraw/zinc/98/55/43/1349985543.db2.gz ZEPIHVFKJOUCQV-UHFFFAOYSA-N -1 3 329.400 2.147 20 30 EEEDHM C#C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001602690735 1350573194 /nfs/dbraw/zinc/57/31/94/1350573194.db2.gz HKAVNOOCNAZKOK-CYBMUJFWSA-N -1 3 339.290 2.095 20 30 EEEDHM C#C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001602690735 1350573197 /nfs/dbraw/zinc/57/31/97/1350573197.db2.gz HKAVNOOCNAZKOK-CYBMUJFWSA-N -1 3 339.290 2.095 20 30 EEEDHM C#CCCN(Cc1ccc(-c2nnn[n-]2)c(F)c1)CC(F)(F)F ZINC001602712791 1350576093 /nfs/dbraw/zinc/57/60/93/1350576093.db2.gz UPBZXXLKQLVCEG-UHFFFAOYSA-N -1 3 327.285 2.393 20 30 EEEDHM C#CCCN(Cc1ccc(-c2nn[n-]n2)c(F)c1)CC(F)(F)F ZINC001602712791 1350576096 /nfs/dbraw/zinc/57/60/96/1350576096.db2.gz UPBZXXLKQLVCEG-UHFFFAOYSA-N -1 3 327.285 2.393 20 30 EEEDHM C=C(C)C[C@H](NC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1)C(=O)[O-] ZINC001602749316 1350580696 /nfs/dbraw/zinc/58/06/96/1350580696.db2.gz DSRRZRVQMZFDSL-HOTGVXAUSA-N -1 3 334.416 2.270 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNc1ncccc1-c1nnn[n-]1 ZINC001602751265 1350581663 /nfs/dbraw/zinc/58/16/63/1350581663.db2.gz FXUQMNWXMLBXKI-LBPRGKRZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNc1ncccc1-c1nn[n-]n1 ZINC001602751265 1350581665 /nfs/dbraw/zinc/58/16/65/1350581665.db2.gz FXUQMNWXMLBXKI-LBPRGKRZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C1CC(C)(C(=O)N2CCC(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001602770907 1350584810 /nfs/dbraw/zinc/58/48/10/1350584810.db2.gz YWPWPEPLTXRGCY-UHFFFAOYSA-N -1 3 338.415 2.324 20 30 EEEDHM C=C1CC(C)(C(=O)N2CCC(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001602770907 1350584815 /nfs/dbraw/zinc/58/48/15/1350584815.db2.gz YWPWPEPLTXRGCY-UHFFFAOYSA-N -1 3 338.415 2.324 20 30 EEEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001602823871 1350591710 /nfs/dbraw/zinc/59/17/10/1350591710.db2.gz MSGMILCFVIMJCH-LLVKDONJSA-N -1 3 331.401 2.068 20 30 EEEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001602823871 1350591713 /nfs/dbraw/zinc/59/17/13/1350591713.db2.gz MSGMILCFVIMJCH-LLVKDONJSA-N -1 3 331.401 2.068 20 30 EEEDHM C=CCn1c(CCC)nnc1N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001602880195 1350599844 /nfs/dbraw/zinc/59/98/44/1350599844.db2.gz RRDJPXREIBBVPS-UHFFFAOYSA-N -1 3 336.403 2.117 20 30 EEEDHM C=CCn1c(CCC)nnc1N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001602880195 1350599847 /nfs/dbraw/zinc/59/98/47/1350599847.db2.gz RRDJPXREIBBVPS-UHFFFAOYSA-N -1 3 336.403 2.117 20 30 EEEDHM C[C@@H](CNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001603521791 1350716226 /nfs/dbraw/zinc/71/62/26/1350716226.db2.gz ZHTZTHOYKNWGNU-SWLSCSKDSA-N -1 3 340.431 2.347 20 30 EEEDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(C#N)c(C)n1 ZINC001604509407 1350951744 /nfs/dbraw/zinc/95/17/44/1350951744.db2.gz CFORKZVDLNHVFB-UHFFFAOYSA-N -1 3 334.339 2.223 20 30 EEEDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(C#N)c(C)n1 ZINC001604509407 1350951749 /nfs/dbraw/zinc/95/17/49/1350951749.db2.gz CFORKZVDLNHVFB-UHFFFAOYSA-N -1 3 334.339 2.223 20 30 EEEDHM COc1cc(C#N)ccc1CNc1ccc(-c2nn[n-]n2)cc1OC ZINC001605191427 1351099633 /nfs/dbraw/zinc/09/96/33/1351099633.db2.gz UALUEKXFFKFWBL-UHFFFAOYSA-N -1 3 336.355 2.368 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)cc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1 ZINC001605529194 1351180475 /nfs/dbraw/zinc/18/04/75/1351180475.db2.gz JBABFNHFKUWPGE-INIZCTEOSA-N -1 3 347.382 2.020 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)cc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1 ZINC001605529194 1351180479 /nfs/dbraw/zinc/18/04/79/1351180479.db2.gz JBABFNHFKUWPGE-INIZCTEOSA-N -1 3 347.382 2.020 20 30 EEEDHM N#CCN(C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccn1 ZINC001606349938 1351296579 /nfs/dbraw/zinc/29/65/79/1351296579.db2.gz ZUBCMTZRVGKTBX-UHFFFAOYSA-N -1 3 339.746 2.085 20 30 EEEDHM N#CCN(C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccn1 ZINC001606349938 1351296582 /nfs/dbraw/zinc/29/65/82/1351296582.db2.gz ZUBCMTZRVGKTBX-UHFFFAOYSA-N -1 3 339.746 2.085 20 30 EEEDHM N#CCOc1cccc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC001606351612 1351296722 /nfs/dbraw/zinc/29/67/22/1351296722.db2.gz XIFGIPRHJQBNAI-HJWRWDBZSA-N -1 3 347.334 2.388 20 30 EEEDHM N#CCOc1cccc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC001606351612 1351296724 /nfs/dbraw/zinc/29/67/24/1351296724.db2.gz XIFGIPRHJQBNAI-HJWRWDBZSA-N -1 3 347.334 2.388 20 30 EEEDHM N#Cc1ccnc(N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)c1[N+](=O)[O-] ZINC001606388987 1351300699 /nfs/dbraw/zinc/30/06/99/1351300699.db2.gz INXLLLXDTDBSMN-CYBMUJFWSA-N -1 3 348.326 2.141 20 30 EEEDHM N#Cc1ccnc(N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)c1[N+](=O)[O-] ZINC001606388987 1351300700 /nfs/dbraw/zinc/30/07/00/1351300700.db2.gz INXLLLXDTDBSMN-CYBMUJFWSA-N -1 3 348.326 2.141 20 30 EEEDHM C=C(Br)CN[C@@H](CNC(=O)c1ncccc1[O-])C(C)C ZINC001374419174 1376798359 /nfs/dbraw/zinc/79/83/59/1376798359.db2.gz MQTAGFVBJFOPOC-NSHDSACASA-N -1 3 342.237 2.040 20 30 EEEDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)Cc1ccc(C#N)cc1 ZINC000821741042 1368090683 /nfs/dbraw/zinc/09/06/83/1368090683.db2.gz GLYPURYHTAPFPL-UHFFFAOYSA-N -1 3 349.350 2.033 20 30 EEEDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)Cc1ccc(C#N)cc1 ZINC000821741042 1368090690 /nfs/dbraw/zinc/09/06/90/1368090690.db2.gz GLYPURYHTAPFPL-UHFFFAOYSA-N -1 3 349.350 2.033 20 30 EEEDHM CC(=O)/C=C(/C)[N-]S(=O)(=O)c1cccc(F)c1Br ZINC001201789182 1368849459 /nfs/dbraw/zinc/84/94/59/1368849459.db2.gz YJKGRWOJNPFRBS-SREVYHEPSA-N -1 3 336.182 2.359 20 30 EEEDHM N#CC1([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)CCCCC1 ZINC000829748076 1369695960 /nfs/dbraw/zinc/69/59/60/1369695960.db2.gz DADTYBILHUEXNI-UHFFFAOYSA-N -1 3 340.792 2.381 20 30 EEEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccnc(NC(=O)C2CC2)c1 ZINC000796790656 1371469489 /nfs/dbraw/zinc/46/94/89/1371469489.db2.gz UGQPDCOSIYKWFU-OAHLLOKOSA-N -1 3 348.362 2.391 20 30 EEEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001121607461 1371906400 /nfs/dbraw/zinc/90/64/00/1371906400.db2.gz MYFGNWWGDQNRNL-QWRGUYRKSA-N -1 3 346.460 2.265 20 30 EEEDHM Cc1ncoc1C[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC001364970875 1373641529 /nfs/dbraw/zinc/64/15/29/1373641529.db2.gz PQSWWDKZPFNEES-UHFFFAOYSA-N -1 3 345.302 2.352 20 30 EEEDHM COc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1C#N ZINC001580042224 1403815351 /nfs/dbraw/zinc/81/53/51/1403815351.db2.gz UYLUOFODHWDNRF-UHFFFAOYSA-N -1 3 326.341 2.061 20 30 EEEDHM COc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1C#N ZINC001580042224 1403815360 /nfs/dbraw/zinc/81/53/60/1403815360.db2.gz UYLUOFODHWDNRF-UHFFFAOYSA-N -1 3 326.341 2.061 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC001591841239 1403958238 /nfs/dbraw/zinc/95/82/38/1403958238.db2.gz SKVGHMWCXCBJNE-CJNGLKHVSA-N -1 3 338.415 2.177 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC001591841239 1403958242 /nfs/dbraw/zinc/95/82/42/1403958242.db2.gz SKVGHMWCXCBJNE-CJNGLKHVSA-N -1 3 338.415 2.177 20 30 EEEDHM N#CCCCNC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC001592676277 1404712002 /nfs/dbraw/zinc/71/20/02/1404712002.db2.gz JXNAODIOHPBGHB-UHFFFAOYSA-N -1 3 325.159 2.207 20 30 EEEDHM N#CCCCNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC001592676277 1404712005 /nfs/dbraw/zinc/71/20/05/1404712005.db2.gz JXNAODIOHPBGHB-UHFFFAOYSA-N -1 3 325.159 2.207 20 30 EEEDHM N#CCCNC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC001592678239 1404712086 /nfs/dbraw/zinc/71/20/86/1404712086.db2.gz QOOVZKNXSSYFAX-UHFFFAOYSA-N -1 3 348.366 2.089 20 30 EEEDHM N#CCCNC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC001592678239 1404712091 /nfs/dbraw/zinc/71/20/91/1404712091.db2.gz QOOVZKNXSSYFAX-UHFFFAOYSA-N -1 3 348.366 2.089 20 30 EEEDHM N#Cc1c(F)cccc1C(=O)OCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001592686192 1404716171 /nfs/dbraw/zinc/71/61/71/1404716171.db2.gz GBUQUIGCDPMDRT-UHFFFAOYSA-N -1 3 341.277 2.374 20 30 EEEDHM N#Cc1c(F)cccc1C(=O)OCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001592686192 1404716176 /nfs/dbraw/zinc/71/61/76/1404716176.db2.gz GBUQUIGCDPMDRT-UHFFFAOYSA-N -1 3 341.277 2.374 20 30 EEEDHM N#Cc1ccc(NC(=O)c2cc(Cl)ncc2F)cc1-c1nnn[n-]1 ZINC001592695305 1404716485 /nfs/dbraw/zinc/71/64/85/1404716485.db2.gz RCGZYEHEEPPNFP-UHFFFAOYSA-N -1 3 343.709 2.178 20 30 EEEDHM N#Cc1ccc(NC(=O)c2cc(Cl)ncc2F)cc1-c1nn[n-]n1 ZINC001592695305 1404716491 /nfs/dbraw/zinc/71/64/91/1404716491.db2.gz RCGZYEHEEPPNFP-UHFFFAOYSA-N -1 3 343.709 2.178 20 30 EEEDHM N#Cc1nc(N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)sc1Cl ZINC001592707977 1404719348 /nfs/dbraw/zinc/71/93/48/1404719348.db2.gz MRMKMRIQOIQJFW-SNVBAGLBSA-N -1 3 343.803 2.428 20 30 EEEDHM N#Cc1nc(N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)sc1Cl ZINC001592707977 1404719350 /nfs/dbraw/zinc/71/93/50/1404719350.db2.gz MRMKMRIQOIQJFW-SNVBAGLBSA-N -1 3 343.803 2.428 20 30 EEEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cn2c(n1)CCCC2 ZINC001592791489 1404723417 /nfs/dbraw/zinc/72/34/17/1404723417.db2.gz KNSKKVRDTZPMKA-SNAWJCMRSA-N -1 3 326.385 2.357 20 30 EEEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cn2c(n1)CCCC2 ZINC001592791489 1404723422 /nfs/dbraw/zinc/72/34/22/1404723422.db2.gz KNSKKVRDTZPMKA-SNAWJCMRSA-N -1 3 326.385 2.357 20 30 EEEDHM C[C@H](CCCNC(=O)C#CC(C)(C)C)NC(=O)c1ccccc1[O-] ZINC001756279977 1408282480 /nfs/dbraw/zinc/28/24/80/1408282480.db2.gz YMKXHVJLINOJGZ-CQSZACIVSA-N -1 3 330.428 2.456 20 30 EEEDHM COCCOc1ccccc1C/N=C\c1c([O-])c(C)ncc1CO ZINC000918713218 769339200 /nfs/dbraw/zinc/33/92/00/769339200.db2.gz WVBIGHVEPLASBE-ODLFYWEKSA-N -1 3 330.384 2.232 20 30 EEEDHM C=C(Cl)CN1CCC[C@H]1CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001027949965 774894951 /nfs/dbraw/zinc/89/49/51/774894951.db2.gz HNRSDSNRCTZQRG-LBPRGKRZSA-N -1 3 336.823 2.006 20 30 EEEDHM C=C1CC(C)(C(=O)N2CC[C@@H](N(C)C(=O)c3ccccc3[O-])C2)C1 ZINC000939545461 776826507 /nfs/dbraw/zinc/82/65/07/776826507.db2.gz WIMFZBBAUJNEGE-CQSZACIVSA-N -1 3 328.412 2.421 20 30 EEEDHM CC(C)[C@@H](SCc1ccccc1)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816754560 784240032 /nfs/dbraw/zinc/24/00/32/784240032.db2.gz HJZTWRUXIXIEHD-HUUCEWRRSA-N -1 3 336.457 2.441 20 30 EEEDHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816753240 784240185 /nfs/dbraw/zinc/24/01/85/784240185.db2.gz COSUPHDQHUOEJV-GFCCVEGCSA-N -1 3 349.387 2.368 20 30 EEEDHM C=CCN1CCC(NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000907811087 784877211 /nfs/dbraw/zinc/87/72/11/784877211.db2.gz LWHFNCRKUSHNGT-APWZRJJASA-N -1 3 328.412 2.012 20 30 EEEDHM Cc1c(NC(=O)CNc2ccc(C#N)cc2)cccc1-c1nnn[n-]1 ZINC000822068409 787015627 /nfs/dbraw/zinc/01/56/27/787015627.db2.gz RKORRKMVEUZFBA-UHFFFAOYSA-N -1 3 333.355 2.097 20 30 EEEDHM Cc1c(NC(=O)CNc2ccc(C#N)cc2)cccc1-c1nn[n-]n1 ZINC000822068409 787015637 /nfs/dbraw/zinc/01/56/37/787015637.db2.gz RKORRKMVEUZFBA-UHFFFAOYSA-N -1 3 333.355 2.097 20 30 EEEDHM CC(C)Oc1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1-c1nnn[n-]1 ZINC000824329052 788142885 /nfs/dbraw/zinc/14/28/85/788142885.db2.gz GLNIJDDKDRSXHN-UHFFFAOYSA-N -1 3 337.343 2.106 20 30 EEEDHM CC(C)Oc1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1-c1nn[n-]n1 ZINC000824329052 788142890 /nfs/dbraw/zinc/14/28/90/788142890.db2.gz GLNIJDDKDRSXHN-UHFFFAOYSA-N -1 3 337.343 2.106 20 30 EEEDHM C=CCCO[C@H](C)C(=O)NC1(CNC(=O)c2ccccc2[O-])CCC1 ZINC001062567808 788241580 /nfs/dbraw/zinc/24/15/80/788241580.db2.gz AUWPAEIKZLOAFV-CQSZACIVSA-N -1 3 346.427 2.142 20 30 EEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)CCCC)ccc1F ZINC000045362410 789350900 /nfs/dbraw/zinc/35/09/00/789350900.db2.gz RNZWVKCICRJSHU-UHFFFAOYSA-N -1 3 328.409 2.162 20 30 EEEDHM C=C(C)CO[N-]C(=O)CCC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000846535685 790235377 /nfs/dbraw/zinc/23/53/77/790235377.db2.gz JYJWXBOJRLVJEB-UHFFFAOYSA-N -1 3 337.372 2.299 20 30 EEEDHM N#Cc1cc(NC(=O)C2=CN3C(=CC=C[C@H]3C(F)(F)F)N2)ccc1[O-] ZINC001148012069 792098171 /nfs/dbraw/zinc/09/81/71/792098171.db2.gz PNZIJDDLLYVTMP-ZDUSSCGKSA-N -1 3 348.284 2.291 20 30 EEEDHM N#CCN[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1c1cccc(F)c1 ZINC001079172232 794406506 /nfs/dbraw/zinc/40/65/06/794406506.db2.gz QZSSHTWETLOVRO-DLBZAZTESA-N -1 3 339.370 2.253 20 30 EEEDHM N#Cc1cc(NC(=O)CCc2nc(-c3ccccn3)no2)ccc1[O-] ZINC001177191110 798804020 /nfs/dbraw/zinc/80/40/20/798804020.db2.gz KWCAAEGSMXDIHI-UHFFFAOYSA-N -1 3 335.323 2.280 20 30 EEEDHM N#Cc1cnc(N2CCC[C@H]2CNC(=O)c2ccccc2[O-])c(F)c1 ZINC001061295260 799945693 /nfs/dbraw/zinc/94/56/93/799945693.db2.gz RUAUHVWUMJUMSP-ZDUSSCGKSA-N -1 3 340.358 2.197 20 30 EEEDHM CCOC(=O)c1cc(C#N)c(NC(=O)C(=O)[C@@H](C)CC)c(C)c1[O-] ZINC001184321468 801982733 /nfs/dbraw/zinc/98/27/33/801982733.db2.gz IQODJGGIMTWLTM-VIFPVBQESA-N -1 3 332.356 2.303 20 30 EEEDHM CC(C)C#CC(=O)N(C)CC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001113424378 808971900 /nfs/dbraw/zinc/97/19/00/808971900.db2.gz YOYACEXNLZINSW-UHFFFAOYSA-N -1 3 348.403 2.251 20 30 EEEDHM CC[C@H](NN=C(C)c1ccc(OC)c(CN2CCCC2)c1)C(=O)[O-] ZINC000793082028 810131905 /nfs/dbraw/zinc/13/19/05/810131905.db2.gz SVXHRYGGASBMBK-INIZCTEOSA-N -1 3 333.432 2.468 20 30 EEEDHM C#CCOc1ccc(C(=O)N2CCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001573289536 946884964 /nfs/dbraw/zinc/88/49/64/946884964.db2.gz NPQDTZBZOQPEEG-UHFFFAOYSA-N -1 3 345.362 2.082 20 30 EEEDHM C#CCOc1ccc(C(=O)N2CCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001573289536 946884973 /nfs/dbraw/zinc/88/49/73/946884973.db2.gz NPQDTZBZOQPEEG-UHFFFAOYSA-N -1 3 345.362 2.082 20 30 EEEDHM C#CCOc1ccccc1CNC(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001573289896 946894369 /nfs/dbraw/zinc/89/43/69/946894369.db2.gz QRMCPFYDFQNBGB-UHFFFAOYSA-N -1 3 347.378 2.117 20 30 EEEDHM C#CCOc1ccccc1CNC(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001573289896 946894379 /nfs/dbraw/zinc/89/43/79/946894379.db2.gz QRMCPFYDFQNBGB-UHFFFAOYSA-N -1 3 347.378 2.117 20 30 EEEDHM C=CC[C@H](Cc1ccccc1)NC(=O)c1cnccc1-c1nnn[n-]1 ZINC001573326124 947367276 /nfs/dbraw/zinc/36/72/76/947367276.db2.gz LNUKDATXYWOVSG-CQSZACIVSA-N -1 3 334.383 2.179 20 30 EEEDHM C=CC[C@H](Cc1ccccc1)NC(=O)c1cnccc1-c1nn[n-]n1 ZINC001573326124 947367280 /nfs/dbraw/zinc/36/72/80/947367280.db2.gz LNUKDATXYWOVSG-CQSZACIVSA-N -1 3 334.383 2.179 20 30 EEEDHM C=CCCC(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001573327343 947387988 /nfs/dbraw/zinc/38/79/88/947387988.db2.gz CMNYIZGFJKXXQN-CQSZACIVSA-N -1 3 343.435 2.089 20 30 EEEDHM C=CCCC(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001573327343 947388000 /nfs/dbraw/zinc/38/80/00/947388000.db2.gz CMNYIZGFJKXXQN-CQSZACIVSA-N -1 3 343.435 2.089 20 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EEEDHM C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001602788008 1350586835 /nfs/dbraw/zinc/58/68/35/1350586835.db2.gz CKTYJWQBABQTEP-NXEZZACHSA-N -1 3 343.836 2.017 20 30 EEEDHM C=C[C@H](CC)CC(=O)O[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC001602803863 1350588759 /nfs/dbraw/zinc/58/87/59/1350588759.db2.gz QKQMUROWLLNUFE-ABAIWWIYSA-N -1 3 344.371 2.226 20 30 EEEDHM C=C[C@H](CC)CC(=O)O[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC001602803863 1350588763 /nfs/dbraw/zinc/58/87/63/1350588763.db2.gz QKQMUROWLLNUFE-ABAIWWIYSA-N -1 3 344.371 2.226 20 30 EEEDHM C=CCCC(=O)N[C@H](C)CCCNc1nc(C)ccc1-c1nnn[n-]1 ZINC001602825396 1350591890 /nfs/dbraw/zinc/59/18/90/1350591890.db2.gz VYEYAQKRROEZOC-GFCCVEGCSA-N -1 3 343.435 2.233 20 30 EEEDHM C=CCCC(=O)N[C@H](C)CCCNc1nc(C)ccc1-c1nn[n-]n1 ZINC001602825396 1350591892 /nfs/dbraw/zinc/59/18/92/1350591892.db2.gz VYEYAQKRROEZOC-GFCCVEGCSA-N -1 3 343.435 2.233 20 30 EEEDHM C=CCCCC(=O)NC[C@H](C)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001602831575 1350593497 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C#CCN(CC)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1[C@@H]1C[C@@H]1C ZINC001602717804 1350576795 /nfs/dbraw/zinc/57/67/95/1350576795.db2.gz CBBYEYAVNVRHSG-SWLSCSKDSA-N -1 3 348.414 2.166 20 30 EEEDHM C#CCN(CC)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1[C@@H]1C[C@@H]1C ZINC001602717804 1350576799 /nfs/dbraw/zinc/57/67/99/1350576799.db2.gz CBBYEYAVNVRHSG-SWLSCSKDSA-N -1 3 348.414 2.166 20 30 EEEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNCC(F)(F)C(F)(F)F ZINC001606305207 1351290984 /nfs/dbraw/zinc/29/09/84/1351290984.db2.gz VWPCPHLYWBPFJA-UHFFFAOYSA-N -1 3 338.215 2.127 20 30 EEEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNCC(F)(F)C(F)(F)F ZINC001606305207 1351290986 /nfs/dbraw/zinc/29/09/86/1351290986.db2.gz VWPCPHLYWBPFJA-UHFFFAOYSA-N -1 3 338.215 2.127 20 30 EEEDHM O=C(c1cccn2nnnc12)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001306894255 1331496004 /nfs/dbraw/zinc/49/60/04/1331496004.db2.gz ROTFHDWFAZYDEO-UHFFFAOYSA-N -1 3 338.154 2.463 20 30 EEEDHM CS(=O)(=O)c1cc(C(=O)N([O-])Cc2ccccc2Cl)co1 ZINC001306894336 1331496027 /nfs/dbraw/zinc/49/60/27/1331496027.db2.gz JVQUGAXJXZGENP-UHFFFAOYSA-N -1 3 329.761 2.368 20 30 EEEDHM C#CCSCC[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001309210578 1331621945 /nfs/dbraw/zinc/62/19/45/1331621945.db2.gz QLNLSQCBXRWTJP-UHFFFAOYSA-N -1 3 338.479 2.455 20 30 EEEDHM C#C[C@H](NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC001609018640 1351815768 /nfs/dbraw/zinc/81/57/68/1351815768.db2.gz BXPKDDUVIVTMHI-RISCZKNCSA-N -1 3 326.404 2.275 20 30 EEEDHM C#C[C@H](NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001609018640 1351815769 /nfs/dbraw/zinc/81/57/69/1351815769.db2.gz BXPKDDUVIVTMHI-RISCZKNCSA-N -1 3 326.404 2.275 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609051060 1351823905 /nfs/dbraw/zinc/82/39/05/1351823905.db2.gz MVZHQKMLSLEMIW-SMDDNHRTSA-N -1 3 330.348 2.168 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609051060 1351823908 /nfs/dbraw/zinc/82/39/08/1351823908.db2.gz MVZHQKMLSLEMIW-SMDDNHRTSA-N -1 3 330.348 2.168 20 30 EEEDHM C=CCCCCN1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC001609053182 1351825185 /nfs/dbraw/zinc/82/51/85/1351825185.db2.gz BKFIYEBEZJFKEB-UHFFFAOYSA-N -1 3 343.435 2.210 20 30 EEEDHM CC#CCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC001609059699 1351827899 /nfs/dbraw/zinc/82/78/99/1351827899.db2.gz FNLFVXSWLWVFEV-UHFFFAOYSA-N -1 3 343.387 2.024 20 30 EEEDHM CC#CCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC001609059699 1351827900 /nfs/dbraw/zinc/82/79/00/1351827900.db2.gz FNLFVXSWLWVFEV-UHFFFAOYSA-N -1 3 343.387 2.024 20 30 EEEDHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001609136794 1351856661 /nfs/dbraw/zinc/85/66/61/1351856661.db2.gz UTZUTRHSMQMOTP-LLVKDONJSA-N -1 3 334.339 2.144 20 30 EEEDHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001609136794 1351856663 /nfs/dbraw/zinc/85/66/63/1351856663.db2.gz UTZUTRHSMQMOTP-LLVKDONJSA-N -1 3 334.339 2.144 20 30 EEEDHM Cc1nc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)sc1C ZINC001609447947 1351981579 /nfs/dbraw/zinc/98/15/79/1351981579.db2.gz JNBHAIQMURFECZ-UHFFFAOYSA-N -1 3 325.357 2.064 20 30 EEEDHM Cc1nc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)sc1C ZINC001609447947 1351981581 /nfs/dbraw/zinc/98/15/81/1351981581.db2.gz JNBHAIQMURFECZ-UHFFFAOYSA-N -1 3 325.357 2.064 20 30 EEEDHM Fc1ccc(CNN=C2CCCc3cc(-c4nnn[n-]4)cnc32)cc1 ZINC001609490527 1351997267 /nfs/dbraw/zinc/99/72/67/1351997267.db2.gz BCUIOABSEDAKFZ-UHFFFAOYSA-N -1 3 337.362 2.231 20 30 EEEDHM Fc1ccc(CNN=C2CCCc3cc(-c4nn[n-]n4)cnc32)cc1 ZINC001609490527 1351997270 /nfs/dbraw/zinc/99/72/70/1351997270.db2.gz BCUIOABSEDAKFZ-UHFFFAOYSA-N -1 3 337.362 2.231 20 30 EEEDHM N#CCc1ccccc1C(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC001609496326 1351999229 /nfs/dbraw/zinc/99/92/29/1351999229.db2.gz FLPMNGLHENGLLL-UHFFFAOYSA-N -1 3 349.350 2.169 20 30 EEEDHM N#CCc1ccccc1C(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC001609496326 1351999231 /nfs/dbraw/zinc/99/92/31/1351999231.db2.gz FLPMNGLHENGLLL-UHFFFAOYSA-N -1 3 349.350 2.169 20 30 EEEDHM C=CC[C@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C(=O)[O-] ZINC001334183412 1336218356 /nfs/dbraw/zinc/21/83/56/1336218356.db2.gz XIAQAEOZMWOJER-HOTGVXAUSA-N -1 3 331.416 2.152 20 30 EEEDHM CCC[C@H](C#N)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001335754350 1336422532 /nfs/dbraw/zinc/42/25/32/1336422532.db2.gz APXBBKFGXJERJI-SNVBAGLBSA-N -1 3 329.809 2.134 20 30 EEEDHM C=CCn1c(CCc2nnn[n-]2)nnc1N(C)[C@@H](C)C1CCCCC1 ZINC001340236241 1337143009 /nfs/dbraw/zinc/14/30/09/1337143009.db2.gz YWWFFIBUFATQIF-ZDUSSCGKSA-N -1 3 344.467 2.167 20 30 EEEDHM C=CCn1c(CCc2nn[n-]n2)nnc1N(C)[C@@H](C)C1CCCCC1 ZINC001340236241 1337143011 /nfs/dbraw/zinc/14/30/11/1337143011.db2.gz YWWFFIBUFATQIF-ZDUSSCGKSA-N -1 3 344.467 2.167 20 30 EEEDHM C#CCCCCCC(=O)NCCN(CC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100685306 1338638982 /nfs/dbraw/zinc/63/89/82/1338638982.db2.gz OCHLJBYEQGUARH-UHFFFAOYSA-N -1 3 348.403 2.222 20 30 EEEDHM COc1cc(C#N)ccc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC001433600134 1341635238 /nfs/dbraw/zinc/63/52/38/1341635238.db2.gz XPYIDSXSEFACKY-UHFFFAOYSA-N -1 3 345.380 2.191 20 30 EEEDHM Cc1ccc(C#N)cc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001581137716 1344591713 /nfs/dbraw/zinc/59/17/13/1344591713.db2.gz FFSVCSKWEGRZQI-UHFFFAOYSA-N -1 3 336.330 2.116 20 30 EEEDHM Cc1ccc(C#N)cc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001581137716 1344591715 /nfs/dbraw/zinc/59/17/15/1344591715.db2.gz FFSVCSKWEGRZQI-UHFFFAOYSA-N -1 3 336.330 2.116 20 30 EEEDHM N#C[C@H]1C[C@H]1C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC001581860318 1344680772 /nfs/dbraw/zinc/68/07/72/1344680772.db2.gz UYPKRQAPNLCTED-BXUZGUMPSA-N -1 3 334.339 2.153 20 30 EEEDHM N#C[C@H]1C[C@H]1C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC001581860318 1344680778 /nfs/dbraw/zinc/68/07/78/1344680778.db2.gz UYPKRQAPNLCTED-BXUZGUMPSA-N -1 3 334.339 2.153 20 30 EEEDHM N#Cc1cccc2c1CN(C(=O)c1ccc(F)c(-c3nnn[n-]3)c1)C2 ZINC001581875631 1344683995 /nfs/dbraw/zinc/68/39/95/1344683995.db2.gz ITLMYKGSLHKFCT-UHFFFAOYSA-N -1 3 334.314 2.033 20 30 EEEDHM N#Cc1cccc2c1CN(C(=O)c1ccc(F)c(-c3nn[n-]n3)c1)C2 ZINC001581875631 1344683997 /nfs/dbraw/zinc/68/39/97/1344683997.db2.gz ITLMYKGSLHKFCT-UHFFFAOYSA-N -1 3 334.314 2.033 20 30 EEEDHM C#C[C@@H]1CCCCN1c1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1 ZINC001588332269 1348889662 /nfs/dbraw/zinc/88/96/62/1348889662.db2.gz IFDCRWWPBWOMMM-CQSZACIVSA-N -1 3 347.382 2.441 20 30 EEEDHM C#C[C@@H]1CCCCN1c1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1 ZINC001588332269 1348889669 /nfs/dbraw/zinc/88/96/69/1348889669.db2.gz IFDCRWWPBWOMMM-CQSZACIVSA-N -1 3 347.382 2.441 20 30 EEEDHM C#CCN(C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588349481 1348894236 /nfs/dbraw/zinc/89/42/36/1348894236.db2.gz PRRAYONIDWSQCB-UHFFFAOYSA-N -1 3 332.367 2.316 20 30 EEEDHM C#Cc1ccccc1CC(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1 ZINC001588375397 1348897701 /nfs/dbraw/zinc/89/77/01/1348897701.db2.gz UFOGKFVXWRXBFL-UHFFFAOYSA-N -1 3 331.379 2.444 20 30 EEEDHM C#Cc1ccccc1CC(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC001588375397 1348897705 /nfs/dbraw/zinc/89/77/05/1348897705.db2.gz UFOGKFVXWRXBFL-UHFFFAOYSA-N -1 3 331.379 2.444 20 30 EEEDHM C=C(C)C[C@@H](C)C(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588400810 1348900351 /nfs/dbraw/zinc/90/03/51/1348900351.db2.gz GRKVBGJTDLCVJG-CQSZACIVSA-N -1 3 343.431 2.444 20 30 EEEDHM C=C(C)C[C@@H](C)C(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588400810 1348900354 /nfs/dbraw/zinc/90/03/54/1348900354.db2.gz GRKVBGJTDLCVJG-CQSZACIVSA-N -1 3 343.431 2.444 20 30 EEEDHM C=C(C)C(C)(C)C(=O)NC[C@@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001588395432 1348900381 /nfs/dbraw/zinc/90/03/81/1348900381.db2.gz HZMDGCPLZPBRAD-GFCCVEGCSA-N -1 3 343.435 2.089 20 30 EEEDHM C=C(C)C(C)(C)C(=O)NC[C@@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001588395432 1348900385 /nfs/dbraw/zinc/90/03/85/1348900385.db2.gz HZMDGCPLZPBRAD-GFCCVEGCSA-N -1 3 343.435 2.089 20 30 EEEDHM C=C(C)C(C)(C)C(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588396551 1348900440 /nfs/dbraw/zinc/90/04/40/1348900440.db2.gz LTUXLBYHXUEUHW-LBPRGKRZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C(C)C(C)(C)C(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588396551 1348900443 /nfs/dbraw/zinc/90/04/43/1348900443.db2.gz LTUXLBYHXUEUHW-LBPRGKRZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N(C)[C@@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001588392438 1348900549 /nfs/dbraw/zinc/90/05/49/1348900549.db2.gz ZVPQQZLVETUARS-LBPRGKRZSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N(C)[C@@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001588392438 1348900550 /nfs/dbraw/zinc/90/05/50/1348900550.db2.gz ZVPQQZLVETUARS-LBPRGKRZSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C(C)CN(CC)C(=O)[C@@H](C)Sc1ccncc1-c1nnn[n-]1 ZINC001588425854 1348904077 /nfs/dbraw/zinc/90/40/77/1348904077.db2.gz XRDZLCMJNRWXNP-LLVKDONJSA-N -1 3 332.433 2.167 20 30 EEEDHM C=C(C)CN(CC)C(=O)[C@@H](C)Sc1ccncc1-c1nn[n-]n1 ZINC001588425854 1348904080 /nfs/dbraw/zinc/90/40/80/1348904080.db2.gz XRDZLCMJNRWXNP-LLVKDONJSA-N -1 3 332.433 2.167 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC001588441914 1348905204 /nfs/dbraw/zinc/90/52/04/1348905204.db2.gz ITUCGSHIDIQMIM-TZMCWYRMSA-N -1 3 332.335 2.030 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC001588441914 1348905207 /nfs/dbraw/zinc/90/52/07/1348905207.db2.gz ITUCGSHIDIQMIM-TZMCWYRMSA-N -1 3 332.335 2.030 20 30 EEEDHM C=C(CC)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588442238 1348905270 /nfs/dbraw/zinc/90/52/70/1348905270.db2.gz LXHOCNKCRUIXDU-UHFFFAOYSA-N -1 3 327.388 2.203 20 30 EEEDHM C=C(CC)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588442238 1348905271 /nfs/dbraw/zinc/90/52/71/1348905271.db2.gz LXHOCNKCRUIXDU-UHFFFAOYSA-N -1 3 327.388 2.203 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Oc1ccc(-c2nnn[n-]2)cc1CC ZINC001588441701 1348905447 /nfs/dbraw/zinc/90/54/47/1348905447.db2.gz GSGAECDSJBXBHV-UKRRQHHQSA-N -1 3 328.372 2.316 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Oc1ccc(-c2nn[n-]n2)cc1CC ZINC001588441701 1348905450 /nfs/dbraw/zinc/90/54/50/1348905450.db2.gz GSGAECDSJBXBHV-UKRRQHHQSA-N -1 3 328.372 2.316 20 30 EEEDHM C=CC(C)(C)C(=O)NCC1(Nc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588475034 1348907017 /nfs/dbraw/zinc/90/70/17/1348907017.db2.gz LHEODAFGKUDXSV-UHFFFAOYSA-N -1 3 344.394 2.279 20 30 EEEDHM C=CC(C)(C)C(=O)NCC1(Nc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588475034 1348907020 /nfs/dbraw/zinc/90/70/20/1348907020.db2.gz LHEODAFGKUDXSV-UHFFFAOYSA-N -1 3 344.394 2.279 20 30 EEEDHM C=C[C@](C)(CCOC)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588495384 1348910632 /nfs/dbraw/zinc/91/06/32/1348910632.db2.gz CYXJVGXOXMZARU-QGZVFWFLSA-N -1 3 329.404 2.054 20 30 EEEDHM C=C[C@](C)(CCOC)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588495384 1348910637 /nfs/dbraw/zinc/91/06/37/1348910637.db2.gz CYXJVGXOXMZARU-QGZVFWFLSA-N -1 3 329.404 2.054 20 30 EEEDHM C=C[C@H](C)ONC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC001588519221 1348912394 /nfs/dbraw/zinc/91/23/94/1348912394.db2.gz VHTHUSOGIVUBPW-LURJTMIESA-N -1 3 328.159 2.409 20 30 EEEDHM C=C[C@H](C)ONC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC001588519221 1348912398 /nfs/dbraw/zinc/91/23/98/1348912398.db2.gz VHTHUSOGIVUBPW-LURJTMIESA-N -1 3 328.159 2.409 20 30 EEEDHM C=C[C@H]1CCCCN1C(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588527489 1348913891 /nfs/dbraw/zinc/91/38/91/1348913891.db2.gz LPCRTYDXQFMPCY-HOTGVXAUSA-N -1 3 338.415 2.084 20 30 EEEDHM C=C[C@H]1CCCCN1C(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588527489 1348913893 /nfs/dbraw/zinc/91/38/93/1348913893.db2.gz LPCRTYDXQFMPCY-HOTGVXAUSA-N -1 3 338.415 2.084 20 30 EEEDHM C=CCCCC(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588586104 1348920701 /nfs/dbraw/zinc/92/07/01/1348920701.db2.gz DPPHBORAQUEDTD-LBPRGKRZSA-N -1 3 343.435 2.091 20 30 EEEDHM C=CCCCC(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588586104 1348920706 /nfs/dbraw/zinc/92/07/06/1348920706.db2.gz DPPHBORAQUEDTD-LBPRGKRZSA-N -1 3 343.435 2.091 20 30 EEEDHM C=CCN(C(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1)C(C)C ZINC001588626099 1348924028 /nfs/dbraw/zinc/92/40/28/1348924028.db2.gz SOMFEWAYNRARKO-UHFFFAOYSA-N -1 3 337.387 2.089 20 30 EEEDHM C=CCN(C(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1)C(C)C ZINC001588626099 1348924032 /nfs/dbraw/zinc/92/40/32/1348924032.db2.gz SOMFEWAYNRARKO-UHFFFAOYSA-N -1 3 337.387 2.089 20 30 EEEDHM C=CCOCCOC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001588682508 1348928916 /nfs/dbraw/zinc/92/89/16/1348928916.db2.gz GMGWSXASESLMTQ-UHFFFAOYSA-N -1 3 342.399 2.424 20 30 EEEDHM C=CCOCCOC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588682508 1348928919 /nfs/dbraw/zinc/92/89/19/1348928919.db2.gz GMGWSXASESLMTQ-UHFFFAOYSA-N -1 3 342.399 2.424 20 30 EEEDHM C=CCOc1ccc(COC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC001588689967 1348929352 /nfs/dbraw/zinc/92/93/52/1348929352.db2.gz QKKORHFDPSKQQK-UHFFFAOYSA-N -1 3 325.328 2.117 20 30 EEEDHM C=CCOc1ccc(COC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC001588689967 1348929355 /nfs/dbraw/zinc/92/93/55/1348929355.db2.gz QKKORHFDPSKQQK-UHFFFAOYSA-N -1 3 325.328 2.117 20 30 EEEDHM C=CCn1c(SCc2cncc(-c3nnn[n-]3)c2)nnc1C1CC1 ZINC001588711641 1348929739 /nfs/dbraw/zinc/92/97/39/1348929739.db2.gz UZNZODZQQIAIHP-UHFFFAOYSA-N -1 3 340.416 2.209 20 30 EEEDHM C=CCn1c(SCc2cncc(-c3nn[n-]n3)c2)nnc1C1CC1 ZINC001588711641 1348929743 /nfs/dbraw/zinc/92/97/43/1348929743.db2.gz UZNZODZQQIAIHP-UHFFFAOYSA-N -1 3 340.416 2.209 20 30 EEEDHM CC#CCCOC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001588746513 1348932212 /nfs/dbraw/zinc/93/22/12/1348932212.db2.gz SLMACUQJTWXXNM-OAHLLOKOSA-N -1 3 328.372 2.227 20 30 EEEDHM CC#CCCOC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001588746513 1348932214 /nfs/dbraw/zinc/93/22/14/1348932214.db2.gz SLMACUQJTWXXNM-OAHLLOKOSA-N -1 3 328.372 2.227 20 30 EEEDHM CC(C)Cn1nccc1C=C1CCc2cc(-c3nnn[n-]3)cnc2C1=O ZINC001589671407 1349018687 /nfs/dbraw/zinc/01/86/87/1349018687.db2.gz FXHSAHLCAMJXBJ-MDWZMJQESA-N -1 3 349.398 2.327 20 30 EEEDHM CC(C)Cn1nccc1C=C1CCc2cc(-c3nn[n-]n3)cnc2C1=O ZINC001589671407 1349018690 /nfs/dbraw/zinc/01/86/90/1349018690.db2.gz FXHSAHLCAMJXBJ-MDWZMJQESA-N -1 3 349.398 2.327 20 30 EEEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1coc(C#N)c1 ZINC001589755349 1349029874 /nfs/dbraw/zinc/02/98/74/1349029874.db2.gz ONWYVKIDBJPFNF-UHFFFAOYSA-N -1 3 338.327 2.371 20 30 EEEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1coc(C#N)c1 ZINC001589755349 1349029878 /nfs/dbraw/zinc/02/98/78/1349029878.db2.gz ONWYVKIDBJPFNF-UHFFFAOYSA-N -1 3 338.327 2.371 20 30 EEEDHM C[C@@H](NCc1c(C#N)cccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC001589966136 1349084744 /nfs/dbraw/zinc/08/47/44/1349084744.db2.gz XRIWUQKIVADCNI-LLVKDONJSA-N -1 3 349.354 2.497 20 30 EEEDHM C[C@@H](NCc1c(C#N)cccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC001589966136 1349084752 /nfs/dbraw/zinc/08/47/52/1349084752.db2.gz XRIWUQKIVADCNI-LLVKDONJSA-N -1 3 349.354 2.497 20 30 EEEDHM COc1cc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)ccc1-c1nnn[n-]1 ZINC001591512302 1349494379 /nfs/dbraw/zinc/49/43/79/1349494379.db2.gz BJNCVNUUWUNVQH-GTNSWQLSSA-N -1 3 340.387 2.078 20 30 EEEDHM COc1cc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)ccc1-c1nn[n-]n1 ZINC001591512302 1349494384 /nfs/dbraw/zinc/49/43/84/1349494384.db2.gz BJNCVNUUWUNVQH-GTNSWQLSSA-N -1 3 340.387 2.078 20 30 EEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CCCOc1ccc(Cl)cc1 ZINC001592341229 1349623084 /nfs/dbraw/zinc/62/30/84/1349623084.db2.gz SXDMVKJLCSBXBB-UHFFFAOYSA-N -1 3 343.778 2.366 20 30 EEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CCCOc1ccc(Cl)cc1 ZINC001592341229 1349623085 /nfs/dbraw/zinc/62/30/85/1349623085.db2.gz SXDMVKJLCSBXBB-UHFFFAOYSA-N -1 3 343.778 2.366 20 30 EEEDHM N#Cc1ccc(C2=CCN(Cc3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC001592691977 1349706330 /nfs/dbraw/zinc/70/63/30/1349706330.db2.gz LPVNYYDWZPNPBO-UHFFFAOYSA-N -1 3 343.394 2.423 20 30 EEEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)nc1Cl ZINC001592690709 1349707090 /nfs/dbraw/zinc/70/70/90/1349707090.db2.gz UDMTVSRORVWNKS-UHFFFAOYSA-N -1 3 325.719 2.039 20 30 EEEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)nc1Cl ZINC001592690709 1349707091 /nfs/dbraw/zinc/70/70/91/1349707091.db2.gz UDMTVSRORVWNKS-UHFFFAOYSA-N -1 3 325.719 2.039 20 30 EEEDHM N#Cc1ncn(CCOc2cccc3ccccc32)c1-c1nnn[n-]1 ZINC001592709383 1349710270 /nfs/dbraw/zinc/71/02/70/1349710270.db2.gz DIGDSEBERWAUTO-UHFFFAOYSA-N -1 3 331.339 2.167 20 30 EEEDHM O=C1c2cc([N+](=O)[O-])ccc2OCC1=Cc1ccccc1-c1nnn[n-]1 ZINC001593380053 1349795097 /nfs/dbraw/zinc/79/50/97/1349795097.db2.gz LPLNQIACHBBDMV-YRNVUSSQSA-N -1 3 349.306 2.434 20 30 EEEDHM O=C1c2cc([N+](=O)[O-])ccc2OCC1=Cc1ccccc1-c1nn[n-]n1 ZINC001593380053 1349795103 /nfs/dbraw/zinc/79/51/03/1349795103.db2.gz LPLNQIACHBBDMV-YRNVUSSQSA-N -1 3 349.306 2.434 20 30 EEEDHM c1ccc(CCNN=C2CCCc3cc(-c4nnn[n-]4)ccc32)nc1 ZINC001593575589 1349859950 /nfs/dbraw/zinc/85/99/50/1349859950.db2.gz WIILEYCDZFVRMT-UHFFFAOYSA-N -1 3 333.399 2.134 20 30 EEEDHM c1ccc(CCNN=C2CCCc3cc(-c4nn[n-]n4)ccc32)nc1 ZINC001593575589 1349859952 /nfs/dbraw/zinc/85/99/52/1349859952.db2.gz WIILEYCDZFVRMT-UHFFFAOYSA-N -1 3 333.399 2.134 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001602753180 1350581447 /nfs/dbraw/zinc/58/14/47/1350581447.db2.gz MRHJVENZSHJTSR-RISCZKNCSA-N -1 3 347.806 2.231 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001602753180 1350581450 /nfs/dbraw/zinc/58/14/50/1350581450.db2.gz MRHJVENZSHJTSR-RISCZKNCSA-N -1 3 347.806 2.231 20 30 EEEDHM C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001602756363 1350582199 /nfs/dbraw/zinc/58/21/99/1350582199.db2.gz LWUUJKYDTLJTJI-OLZOCXBDSA-N -1 3 343.435 2.313 20 30 EEEDHM C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001602756363 1350582202 /nfs/dbraw/zinc/58/22/02/1350582202.db2.gz LWUUJKYDTLJTJI-OLZOCXBDSA-N -1 3 343.435 2.313 20 30 EEEDHM C=CC[C@@H]1CCN1C(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001602822974 1350591213 /nfs/dbraw/zinc/59/12/13/1350591213.db2.gz GZTNVLNRUPWDTR-CJNGLKHVSA-N -1 3 341.415 2.447 20 30 EEEDHM C=CC[C@@H]1CCN1C(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001602822974 1350591215 /nfs/dbraw/zinc/59/12/15/1350591215.db2.gz GZTNVLNRUPWDTR-CJNGLKHVSA-N -1 3 341.415 2.447 20 30 EEEDHM C=CCCC(=O)NC[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001602826871 1350592554 /nfs/dbraw/zinc/59/25/54/1350592554.db2.gz MTPPIDMRYNTKHA-JTQLQIEISA-N -1 3 349.826 2.046 20 30 EEEDHM C=CCCC(=O)NC[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001602826871 1350592555 /nfs/dbraw/zinc/59/25/55/1350592555.db2.gz MTPPIDMRYNTKHA-JTQLQIEISA-N -1 3 349.826 2.046 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](OC)C(C)C ZINC001602854253 1350596703 /nfs/dbraw/zinc/59/67/03/1350596703.db2.gz ZPOFZSPYJKIOTC-OAHLLOKOSA-N -1 3 329.404 2.052 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](OC)C(C)C ZINC001602854253 1350596707 /nfs/dbraw/zinc/59/67/07/1350596707.db2.gz ZPOFZSPYJKIOTC-OAHLLOKOSA-N -1 3 329.404 2.052 20 30 EEEDHM C=CCSCCNC(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001602870906 1350598822 /nfs/dbraw/zinc/59/88/22/1350598822.db2.gz OVVCBJMKXGLKKQ-UHFFFAOYSA-N -1 3 331.445 2.061 20 30 EEEDHM C=CCSCCNC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001602870906 1350598826 /nfs/dbraw/zinc/59/88/26/1350598826.db2.gz OVVCBJMKXGLKKQ-UHFFFAOYSA-N -1 3 331.445 2.061 20 30 EEEDHM C[C@H]1OCCC1N=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001603955098 1350813114 /nfs/dbraw/zinc/81/31/14/1350813114.db2.gz LUCLIKUJYNBICO-SSDOTTSWSA-N -1 3 326.282 2.462 20 30 EEEDHM C[C@H]1OCCC1N=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001603955098 1350813119 /nfs/dbraw/zinc/81/31/19/1350813119.db2.gz LUCLIKUJYNBICO-SSDOTTSWSA-N -1 3 326.282 2.462 20 30 EEEDHM C[C@](CC(=O)[O-])(NCCOc1ccccc1C#N)c1ccccn1 ZINC001604089819 1350853016 /nfs/dbraw/zinc/85/30/16/1350853016.db2.gz ILIRCCAPEUNDLK-GOSISDBHSA-N -1 3 325.368 2.312 20 30 EEEDHM CCc1ccc([C@@H](O)CNc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001604522428 1350954261 /nfs/dbraw/zinc/95/42/61/1350954261.db2.gz URGZPJGUKLCUFV-INIZCTEOSA-N -1 3 334.383 2.446 20 30 EEEDHM CCc1ccc([C@@H](O)CNc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001604522428 1350954264 /nfs/dbraw/zinc/95/42/64/1350954264.db2.gz URGZPJGUKLCUFV-INIZCTEOSA-N -1 3 334.383 2.446 20 30 EEEDHM COc1ccc(C(C)=NNCc2ccc(-c3nnn[n-]3)cc2)cc1O ZINC001605263305 1351119193 /nfs/dbraw/zinc/11/91/93/1351119193.db2.gz KYOHWQDOARGAKY-UHFFFAOYSA-N -1 3 338.371 2.095 20 30 EEEDHM COc1ccc(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)cc1O ZINC001605263305 1351119194 /nfs/dbraw/zinc/11/91/94/1351119194.db2.gz KYOHWQDOARGAKY-UHFFFAOYSA-N -1 3 338.371 2.095 20 30 EEEDHM Cc1cc(NC(=O)NCC2CCC(C#N)CC2)ncc1-c1nnn[n-]1 ZINC001605712823 1351217565 /nfs/dbraw/zinc/21/75/65/1351217565.db2.gz WRMKWDPPSMTXHP-UHFFFAOYSA-N -1 3 340.391 2.022 20 30 EEEDHM Cc1cc(NC(=O)NCC2CCC(C#N)CC2)ncc1-c1nn[n-]n1 ZINC001605712823 1351217567 /nfs/dbraw/zinc/21/75/67/1351217567.db2.gz WRMKWDPPSMTXHP-UHFFFAOYSA-N -1 3 340.391 2.022 20 30 EEEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2ccnn2C2CCC2)n1 ZINC001606185844 1351282818 /nfs/dbraw/zinc/28/28/18/1351282818.db2.gz XOUHMMQYQGKLAE-UHFFFAOYSA-N -1 3 343.782 2.283 20 30 EEEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2ccnn2C2CCC2)n1 ZINC001606185844 1351282822 /nfs/dbraw/zinc/28/28/22/1351282822.db2.gz XOUHMMQYQGKLAE-UHFFFAOYSA-N -1 3 343.782 2.283 20 30 EEEDHM N#CCCCC(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001606346149 1351295633 /nfs/dbraw/zinc/29/56/33/1351295633.db2.gz MEKZAARCHREWDU-LBPRGKRZSA-N -1 3 338.293 2.280 20 30 EEEDHM N#CCCCC(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001606346149 1351295635 /nfs/dbraw/zinc/29/56/35/1351295635.db2.gz MEKZAARCHREWDU-LBPRGKRZSA-N -1 3 338.293 2.280 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@H]1CCO[C@@H](c2ccncc2)C1 ZINC001606379589 1351298679 /nfs/dbraw/zinc/29/86/79/1351298679.db2.gz FQNYKVZZRZIGAM-GOEBONIOSA-N -1 3 347.382 2.466 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@H]1CCO[C@@H](c2ccncc2)C1 ZINC001606379589 1351298681 /nfs/dbraw/zinc/29/86/81/1351298681.db2.gz FQNYKVZZRZIGAM-GOEBONIOSA-N -1 3 347.382 2.466 20 30 EEEDHM N#Cc1ccsc1C(=O)N1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001606388401 1351300764 /nfs/dbraw/zinc/30/07/64/1351300764.db2.gz ASUICZMJFKATBJ-UHFFFAOYSA-N -1 3 336.380 2.393 20 30 EEEDHM N#Cc1ccsc1C(=O)N1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001606388401 1351300768 /nfs/dbraw/zinc/30/07/68/1351300768.db2.gz ASUICZMJFKATBJ-UHFFFAOYSA-N -1 3 336.380 2.393 20 30 EEEDHM O=C1c2cc(-c3nnn[n-]3)ccc2CC1=Cc1cnn(CC(F)F)c1 ZINC001607036305 1351402109 /nfs/dbraw/zinc/40/21/09/1351402109.db2.gz COZSNZVCVCINSF-KGVSQERTSA-N -1 3 342.309 2.151 20 30 EEEDHM O=C1c2cc(-c3nn[n-]n3)ccc2CC1=Cc1cnn(CC(F)F)c1 ZINC001607036305 1351402111 /nfs/dbraw/zinc/40/21/11/1351402111.db2.gz COZSNZVCVCINSF-KGVSQERTSA-N -1 3 342.309 2.151 20 30 EEEDHM Cc1ccc(N(CCC#N)C(=O)CN2CC[C@H](C(=O)[O-])[C@H]2C)cc1C ZINC001607791390 1351559352 /nfs/dbraw/zinc/55/93/52/1351559352.db2.gz AZDCDSFRPUTSPA-WBVHZDCISA-N -1 3 343.427 2.345 20 30 EEEDHM C=CCCCC(=O)N1CCC[C@@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001071213164 1370420944 /nfs/dbraw/zinc/42/09/44/1370420944.db2.gz ZWGSXHVBFMGDQC-CYBMUJFWSA-N -1 3 341.415 2.035 20 30 EEEDHM CCCCCCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001072718116 1370775453 /nfs/dbraw/zinc/77/54/53/1370775453.db2.gz VDMNBHRODVIVIN-HIFRSBDPSA-N -1 3 335.452 2.132 20 30 EEEDHM C=CCN1CC[C@@H](N(C)Cc2cccc(Br)c2[O-])C1=O ZINC000798957114 1371623204 /nfs/dbraw/zinc/62/32/04/1371623204.db2.gz UZBQMGBHCYIIOJ-CYBMUJFWSA-N -1 3 339.233 2.373 20 30 EEEDHM C=C[C@](C)(CC)C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCCCC1 ZINC001115712477 1371697147 /nfs/dbraw/zinc/69/71/47/1371697147.db2.gz NKJMSKGNRGXWIM-MRXNPFEDSA-N -1 3 335.452 2.021 20 30 EEEDHM CS(=O)(=O)[N-]c1cc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)ccc1F ZINC000839058569 1372885963 /nfs/dbraw/zinc/88/59/63/1372885963.db2.gz WZAWZJZNJZBDOZ-CMPLNLGQSA-N -1 3 340.376 2.436 20 30 EEEDHM CNC(=O)c1cccc(C([O-])=C(C#N)c2ccc3ccccc3n2)n1 ZINC001341923965 1372939042 /nfs/dbraw/zinc/93/90/42/1372939042.db2.gz GBEFXDJJRSAXJN-CYBMUJFWSA-N -1 3 330.347 2.479 20 30 EEEDHM C=CCn1c(CCc2nnn[n-]2)nnc1N1CCC[C@H](C(C)(C)C)C1 ZINC001355901503 1373182424 /nfs/dbraw/zinc/18/24/24/1373182424.db2.gz YCHWGRHYPLXGHM-ZDUSSCGKSA-N -1 3 344.467 2.025 20 30 EEEDHM C=CCn1c(CCc2nn[n-]n2)nnc1N1CCC[C@H](C(C)(C)C)C1 ZINC001355901503 1373182430 /nfs/dbraw/zinc/18/24/30/1373182430.db2.gz YCHWGRHYPLXGHM-ZDUSSCGKSA-N -1 3 344.467 2.025 20 30 EEEDHM Cc1ncc(C[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)o1 ZINC001363944436 1373559411 /nfs/dbraw/zinc/55/94/11/1373559411.db2.gz QMSBKTAITAIDFC-UHFFFAOYSA-N -1 3 345.302 2.352 20 30 EEEDHM C#Cc1ccc(C(=O)N[C@H](C)CN(C)C(=O)c2ccccc2[O-])cc1 ZINC001756432517 1408443677 /nfs/dbraw/zinc/44/36/77/1408443677.db2.gz PVIDPTBCTGHBOF-CQSZACIVSA-N -1 3 336.391 2.264 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N[C@H](CNC(=O)c1cnc[n-]c1=O)C(C)(C)C ZINC001756717340 1409246943 /nfs/dbraw/zinc/24/69/43/1409246943.db2.gz NXWQCAYQRYDVGS-CYBMUJFWSA-N -1 3 348.447 2.045 20 30 EEEDHM Cn1ncc(Br)c1C([O-])=C(C#N)c1ncc(Cl)n1C ZINC001772375015 1410158311 /nfs/dbraw/zinc/15/83/11/1410158311.db2.gz SMGIOYNGSUNEJO-LURJTMIESA-N -1 3 342.584 2.060 20 30 EEEDHM Cc1nc(N[C@H](C)CCNC(=O)c2cccc3n[n-]nc32)ccc1C#N ZINC001099531664 780899335 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C=CCCC[C@H](C)NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823894133 787985006 /nfs/dbraw/zinc/98/50/06/787985006.db2.gz IICKILNQMVJYKX-JTQLQIEISA-N -1 3 339.396 2.029 20 30 EEEDHM N#Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000913298757 788755607 /nfs/dbraw/zinc/75/56/07/788755607.db2.gz CESBPUZVGTYMFT-UHFFFAOYSA-N -1 3 336.307 2.337 20 30 EEEDHM N#Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000913298757 788755613 /nfs/dbraw/zinc/75/56/13/788755613.db2.gz CESBPUZVGTYMFT-UHFFFAOYSA-N -1 3 336.307 2.337 20 30 EEEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc[nH]c(=O)c2)c(C)c1[O-] ZINC001146907544 791570743 /nfs/dbraw/zinc/57/07/43/791570743.db2.gz RFFLVDSXZNQYBE-UHFFFAOYSA-N -1 3 341.323 2.102 20 30 EEEDHM N#Cc1ccc(N2CC[C@H]3CCN(C(=O)c4ccccc4[O-])C[C@H]32)cn1 ZINC001064664052 793503397 /nfs/dbraw/zinc/50/33/97/793503397.db2.gz IJCXKZMENJQJRA-RDTXWAMCSA-N -1 3 348.406 2.400 20 30 EEEDHM N#Cc1cc([O-])cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c1 ZINC000913686509 794103085 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C[C@H](Nc1cnc(C#N)cn1)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001065657366 799299617 /nfs/dbraw/zinc/29/96/17/799299617.db2.gz QTHHZNNFCFOZJP-QWHCGFSZSA-N -1 3 337.383 2.017 20 30 EEEDHM C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)c1ncccc1[O-] ZINC001178529349 799509623 /nfs/dbraw/zinc/50/96/23/799509623.db2.gz DJRLRXGBKZIWAQ-RDJZCZTQSA-N -1 3 335.407 2.032 20 30 EEEDHM CC(C)C#CC(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001066143204 800098184 /nfs/dbraw/zinc/09/81/84/800098184.db2.gz YFMPAFXMRFNVDZ-HNNXBMFYSA-N -1 3 328.412 2.163 20 30 EEEDHM C=CCCOCC(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001066266296 800602469 /nfs/dbraw/zinc/60/24/69/800602469.db2.gz WLIDRSMGGLDLLI-HNNXBMFYSA-N -1 3 346.427 2.096 20 30 EEEDHM C=C(Cl)CN1CC[C@@H]1CN(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001085705128 801094752 /nfs/dbraw/zinc/09/47/52/801094752.db2.gz ICLDHMJRZNVKEO-CYBMUJFWSA-N -1 3 345.830 2.427 20 30 EEEDHM C[C@@H](CNc1ccc(C#N)nc1)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001108592994 804265609 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Cc1ccc(C(=O)C=CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001464878060 948531029 /nfs/dbraw/zinc/53/10/29/948531029.db2.gz DSNSSUBLVJNEDX-KHPPLWFESA-N -1 3 347.378 2.230 20 30 EEEDHM Cc1ccc(C(=O)C=CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001464878060 948531032 /nfs/dbraw/zinc/53/10/32/948531032.db2.gz DSNSSUBLVJNEDX-KHPPLWFESA-N -1 3 347.378 2.230 20 30 EEEDHM N#Cc1ccc(C(=O)N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)c(F)c1 ZINC001570948142 949597742 /nfs/dbraw/zinc/59/77/42/949597742.db2.gz DKSARGBWAMYMKP-MRXNPFEDSA-N -1 3 348.341 2.295 20 30 EEEDHM N#Cc1ccc(C(=O)N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)c(F)c1 ZINC001570948142 949597756 /nfs/dbraw/zinc/59/77/56/949597756.db2.gz DKSARGBWAMYMKP-MRXNPFEDSA-N -1 3 348.341 2.295 20 30 EEEDHM CC(C)OC(=O)C1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC001591677865 975459827 /nfs/dbraw/zinc/45/98/27/975459827.db2.gz FTMBYPHDGFHGBD-MRXNPFEDSA-N -1 3 330.384 2.348 20 30 EEEDHM N#Cc1ccc(O[C@@H]2CCN(Cc3ccc(C(=O)[O-])s3)C2)nc1 ZINC000903689717 981014761 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C=C(C)[C@@H](CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)OCC ZINC000270205319 201237723 /nfs/dbraw/zinc/23/77/23/201237723.db2.gz KEOXGRWSOHBMSV-QGZVFWFLSA-N -1 3 346.427 2.048 20 30 EEEDHM C=C(C)[C@H](CC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)OCC ZINC000273092007 201253981 /nfs/dbraw/zinc/25/39/81/201253981.db2.gz OAMCJWVXPOWPIL-STQMWFEESA-N -1 3 330.425 2.319 20 30 EEEDHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCO1 ZINC000274802911 201272707 /nfs/dbraw/zinc/27/27/07/201272707.db2.gz RALRGPIZWVXJBM-ZYHUDNBSSA-N -1 3 328.821 2.305 20 30 EEEDHM Cc1nc(C2([N-]S(=O)(=O)Cc3cccc(C#N)c3)CCCC2)no1 ZINC000071990921 203157684 /nfs/dbraw/zinc/15/76/84/203157684.db2.gz FLKQWIDGPUEXEF-UHFFFAOYSA-N -1 3 346.412 2.139 20 30 EEEDHM C#C[C@H](CC)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000491655777 533306581 /nfs/dbraw/zinc/30/65/81/533306581.db2.gz HQKSRUWGNCVWNL-GFCCVEGCSA-N -1 3 340.420 2.044 20 30 EEEDHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000355834967 153159906 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2.027 20 30 EEEDHM CCc1nc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)cs1 ZINC001609255120 1351911540 /nfs/dbraw/zinc/91/15/40/1351911540.db2.gz YZGOBLNNGJDSBX-UHFFFAOYSA-N -1 3 344.429 2.027 20 30 EEEDHM O=C(CCOc1cc(Cl)ccc1Cl)N[C@@H]1CCCN([O-])C1=O ZINC001329068760 1334578747 /nfs/dbraw/zinc/57/87/47/1334578747.db2.gz BWCKFZLHRKOJPD-LLVKDONJSA-N -1 3 347.198 2.259 20 30 EEEDHM COc1cc(OCCCC2(C#N)CCOCC2)cc(-c2nnn[n-]2)c1 ZINC001609348154 1351941494 /nfs/dbraw/zinc/94/14/94/1351941494.db2.gz HLUGULRZWKKAMC-UHFFFAOYSA-N -1 3 343.387 2.355 20 30 EEEDHM COc1cc(OCCCC2(C#N)CCOCC2)cc(-c2nn[n-]n2)c1 ZINC001609348154 1351941496 /nfs/dbraw/zinc/94/14/96/1351941496.db2.gz HLUGULRZWKKAMC-UHFFFAOYSA-N -1 3 343.387 2.355 20 30 EEEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1=CCCCC1 ZINC001609493838 1351998427 /nfs/dbraw/zinc/99/84/27/1351998427.db2.gz TXZFCOVDLOXBQL-MRXNPFEDSA-N -1 3 336.399 2.166 20 30 EEEDHM O=[N+]([O-])c1cccc(NN=Cc2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC001609602728 1352032043 /nfs/dbraw/zinc/03/20/43/1352032043.db2.gz FWMQBVKWHIGCAZ-UHFFFAOYSA-N -1 3 345.269 2.499 20 30 EEEDHM O=[N+]([O-])c1cccc(NN=Cc2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC001609602728 1352032045 /nfs/dbraw/zinc/03/20/45/1352032045.db2.gz FWMQBVKWHIGCAZ-UHFFFAOYSA-N -1 3 345.269 2.499 20 30 EEEDHM S=C1N=NC(c2ccccc2)N1N=Cc1cccc(-c2nnn[n-]2)c1 ZINC001609612387 1352037457 /nfs/dbraw/zinc/03/74/57/1352037457.db2.gz NIVNGMITYSHDOV-UHFFFAOYSA-N -1 3 348.395 2.296 20 30 EEEDHM S=C1N=NC(c2ccccc2)N1N=Cc1cccc(-c2nn[n-]n2)c1 ZINC001609612387 1352037462 /nfs/dbraw/zinc/03/74/62/1352037462.db2.gz NIVNGMITYSHDOV-UHFFFAOYSA-N -1 3 348.395 2.296 20 30 EEEDHM C#C[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001588327205 1348887140 /nfs/dbraw/zinc/88/71/40/1348887140.db2.gz DRSWVKKQRQZTNG-SUMWQHHRSA-N -1 3 347.378 2.125 20 30 EEEDHM C#C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Br)c1)[C@@H]1CCCO1 ZINC001588329022 1348888481 /nfs/dbraw/zinc/88/84/81/1348888481.db2.gz WHMDALRBHACMDD-OLZOCXBDSA-N -1 3 348.204 2.222 20 30 EEEDHM C#C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Br)c1)[C@@H]1CCCO1 ZINC001588329022 1348888485 /nfs/dbraw/zinc/88/84/85/1348888485.db2.gz WHMDALRBHACMDD-OLZOCXBDSA-N -1 3 348.204 2.222 20 30 EEEDHM C#C[C@H]1CCCC[C@H]1OC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588331807 1348889890 /nfs/dbraw/zinc/88/98/90/1348889890.db2.gz DDOOKIPVOOBRFK-SMDDNHRTSA-N -1 3 326.356 2.224 20 30 EEEDHM C#C[C@H]1CCCC[C@H]1OC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588331807 1348889896 /nfs/dbraw/zinc/88/98/96/1348889896.db2.gz DDOOKIPVOOBRFK-SMDDNHRTSA-N -1 3 326.356 2.224 20 30 EEEDHM C#CC[C@@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001588335390 1348890969 /nfs/dbraw/zinc/89/09/69/1348890969.db2.gz LMBJHSZHQIBACU-LLVKDONJSA-N -1 3 328.351 2.273 20 30 EEEDHM C#CC[C@@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001588335390 1348890976 /nfs/dbraw/zinc/89/09/76/1348890976.db2.gz LMBJHSZHQIBACU-LLVKDONJSA-N -1 3 328.351 2.273 20 30 EEEDHM C#CC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(Br)c2)C1 ZINC001588337352 1348892796 /nfs/dbraw/zinc/89/27/96/1348892796.db2.gz NPANRDUSTXQGQG-SNVBAGLBSA-N -1 3 332.205 2.479 20 30 EEEDHM C#CC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(Br)c2)C1 ZINC001588337352 1348892803 /nfs/dbraw/zinc/89/28/03/1348892803.db2.gz NPANRDUSTXQGQG-SNVBAGLBSA-N -1 3 332.205 2.479 20 30 EEEDHM C#CCn1ccc(CN(CC)Cc2ccc(C)c(-c3nn[n-]n3)c2)n1 ZINC001588364171 1348896761 /nfs/dbraw/zinc/89/67/61/1348896761.db2.gz XRYALVFUYOEETO-UHFFFAOYSA-N -1 3 335.415 2.027 20 30 EEEDHM C#Cc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC001588373882 1348896823 /nfs/dbraw/zinc/89/68/23/1348896823.db2.gz VXXCPJIZJAUIHU-UHFFFAOYSA-N -1 3 348.366 2.178 20 30 EEEDHM C#Cc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC001588373882 1348896831 /nfs/dbraw/zinc/89/68/31/1348896831.db2.gz VXXCPJIZJAUIHU-UHFFFAOYSA-N -1 3 348.366 2.178 20 30 EEEDHM C=C(C)C(C)(C)C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001588402609 1348901034 /nfs/dbraw/zinc/90/10/34/1348901034.db2.gz IYVRGWPVEICNTF-LLVKDONJSA-N -1 3 343.387 2.339 20 30 EEEDHM C=C(C)C(C)(C)C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001588402609 1348901039 /nfs/dbraw/zinc/90/10/39/1348901039.db2.gz IYVRGWPVEICNTF-LLVKDONJSA-N -1 3 343.387 2.339 20 30 EEEDHM C=C(C)C(C)(C)C(=O)OCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC001588402360 1348901509 /nfs/dbraw/zinc/90/15/09/1348901509.db2.gz FPSWMNBQXUDRDV-UHFFFAOYSA-N -1 3 344.371 2.299 20 30 EEEDHM C=C(C)C(C)(C)C(=O)OCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC001588402360 1348901512 /nfs/dbraw/zinc/90/15/12/1348901512.db2.gz FPSWMNBQXUDRDV-UHFFFAOYSA-N -1 3 344.371 2.299 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588443526 1348904852 /nfs/dbraw/zinc/90/48/52/1348904852.db2.gz SUVVWBOGECGZSE-KCPJHIHWSA-N -1 3 327.388 2.025 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588443526 1348904856 /nfs/dbraw/zinc/90/48/56/1348904856.db2.gz SUVVWBOGECGZSE-KCPJHIHWSA-N -1 3 327.388 2.025 20 30 EEEDHM C=CC(C)(C)CC(=O)N(C)[C@@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001588482442 1348908396 /nfs/dbraw/zinc/90/83/96/1348908396.db2.gz WPSJAPGNTKJFAD-LBPRGKRZSA-N -1 3 343.435 2.123 20 30 EEEDHM C=CC(C)(C)CC(=O)N(C)[C@@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001588482442 1348908400 /nfs/dbraw/zinc/90/84/00/1348908400.db2.gz WPSJAPGNTKJFAD-LBPRGKRZSA-N -1 3 343.435 2.123 20 30 EEEDHM C=CC(C)(C)CC(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588481992 1348908418 /nfs/dbraw/zinc/90/84/18/1348908418.db2.gz QNHMHSKNADQZPL-LBPRGKRZSA-N -1 3 343.435 2.123 20 30 EEEDHM C=CC(C)(C)CC(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588481992 1348908420 /nfs/dbraw/zinc/90/84/20/1348908420.db2.gz QNHMHSKNADQZPL-LBPRGKRZSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@H](CC)CC(=O)NCCCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588524025 1348912348 /nfs/dbraw/zinc/91/23/48/1348912348.db2.gz NKOSFCPAIXHJHQ-CYBMUJFWSA-N -1 3 343.435 2.091 20 30 EEEDHM C=C[C@H](CC)CC(=O)NCCCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588524025 1348912352 /nfs/dbraw/zinc/91/23/52/1348912352.db2.gz NKOSFCPAIXHJHQ-CYBMUJFWSA-N -1 3 343.435 2.091 20 30 EEEDHM C=C[C@@H](CC)CC(=O)NCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001588523850 1348912964 /nfs/dbraw/zinc/91/29/64/1348912964.db2.gz MQUDQWCROPDQDJ-OLZOCXBDSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@@H](CC)CC(=O)NCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001588523850 1348912966 /nfs/dbraw/zinc/91/29/66/1348912966.db2.gz MQUDQWCROPDQDJ-OLZOCXBDSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCC1(O)CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC001588558667 1348916756 /nfs/dbraw/zinc/91/67/56/1348916756.db2.gz BMZUVRXOSNPWSX-UHFFFAOYSA-N -1 3 336.399 2.322 20 30 EEEDHM C=CCC1(O)CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC001588558667 1348916758 /nfs/dbraw/zinc/91/67/58/1348916758.db2.gz BMZUVRXOSNPWSX-UHFFFAOYSA-N -1 3 336.399 2.322 20 30 EEEDHM C=CC[C@@H]1CCN(C(=O)C(F)(F)c2ccccc2-c2nnn[n-]2)C1 ZINC001588564054 1348917671 /nfs/dbraw/zinc/91/76/71/1348917671.db2.gz ILACYCGAAUDGIJ-LLVKDONJSA-N -1 3 333.342 2.383 20 30 EEEDHM C=CC[C@@H]1CCN(C(=O)C(F)(F)c2ccccc2-c2nn[n-]n2)C1 ZINC001588564054 1348917673 /nfs/dbraw/zinc/91/76/73/1348917673.db2.gz ILACYCGAAUDGIJ-LLVKDONJSA-N -1 3 333.342 2.383 20 30 EEEDHM C=CCCCC(=O)NCC[C@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588590560 1348922216 /nfs/dbraw/zinc/92/22/16/1348922216.db2.gz ROFCDXZFABNDIY-JTQLQIEISA-N -1 3 349.464 2.295 20 30 EEEDHM C=CCCN(OCc1ccccc1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588603812 1348922914 /nfs/dbraw/zinc/92/29/14/1348922914.db2.gz WRBWFGPNKYUMME-UHFFFAOYSA-N -1 3 338.371 2.345 20 30 EEEDHM C=CCCN(OCc1ccccc1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588603812 1348922917 /nfs/dbraw/zinc/92/29/17/1348922917.db2.gz WRBWFGPNKYUMME-UHFFFAOYSA-N -1 3 338.371 2.345 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC1(CC)COC1 ZINC001588640119 1348926029 /nfs/dbraw/zinc/92/60/29/1348926029.db2.gz LIPZPPZVVAWMEV-UHFFFAOYSA-N -1 3 341.415 2.198 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC1(CC)COC1 ZINC001588640119 1348926033 /nfs/dbraw/zinc/92/60/33/1348926033.db2.gz LIPZPPZVVAWMEV-UHFFFAOYSA-N -1 3 341.415 2.198 20 30 EEEDHM C=CCN(Cc1ncnn1C(C)C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588652122 1348927243 /nfs/dbraw/zinc/92/72/43/1348927243.db2.gz KJCRFIKFZARUBN-UHFFFAOYSA-N -1 3 338.419 2.227 20 30 EEEDHM C=CCN(Cc1ncnn1C(C)C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588652122 1348927247 /nfs/dbraw/zinc/92/72/47/1348927247.db2.gz KJCRFIKFZARUBN-UHFFFAOYSA-N -1 3 338.419 2.227 20 30 EEEDHM C=CCOCCNc1cc(Br)c(-c2nnn[n-]2)cc1F ZINC001588682520 1348929052 /nfs/dbraw/zinc/92/90/52/1348929052.db2.gz HFHFFEIKBCPFFG-UHFFFAOYSA-N -1 3 342.172 2.383 20 30 EEEDHM C=CCOCCNc1cc(Br)c(-c2nn[n-]n2)cc1F ZINC001588682520 1348929056 /nfs/dbraw/zinc/92/90/56/1348929056.db2.gz HFHFFEIKBCPFFG-UHFFFAOYSA-N -1 3 342.172 2.383 20 30 EEEDHM CC(=NN[C@@H]1CCOC1(C)C)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588776402 1348935282 /nfs/dbraw/zinc/93/52/82/1348935282.db2.gz LXLAOBXALLUKIQ-CYBMUJFWSA-N -1 3 334.811 2.401 20 30 EEEDHM CC(=NN[C@@H]1CCOC1(C)C)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588776402 1348935284 /nfs/dbraw/zinc/93/52/84/1348935284.db2.gz LXLAOBXALLUKIQ-CYBMUJFWSA-N -1 3 334.811 2.401 20 30 EEEDHM CC(C)(C)OC(=O)NC1CC(N=Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001589177071 1348967216 /nfs/dbraw/zinc/96/72/16/1348967216.db2.gz VELCBELGFAZBGY-UHFFFAOYSA-N -1 3 343.391 2.322 20 30 EEEDHM CC(C)(C)OC(=O)NC1CC(N=Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001589177071 1348967219 /nfs/dbraw/zinc/96/72/19/1348967219.db2.gz VELCBELGFAZBGY-UHFFFAOYSA-N -1 3 343.391 2.322 20 30 EEEDHM CC(C)(C)n1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)nn1 ZINC001589259536 1348976837 /nfs/dbraw/zinc/97/68/37/1348976837.db2.gz ZIZKJBMALVZWGT-FNORWQNLSA-N -1 3 341.350 2.248 20 30 EEEDHM CC(C)(C)n1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)nn1 ZINC001589259536 1348976841 /nfs/dbraw/zinc/97/68/41/1348976841.db2.gz ZIZKJBMALVZWGT-FNORWQNLSA-N -1 3 341.350 2.248 20 30 EEEDHM CC(C)[C@]1(C)C[C@H]1NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589491058 1348995610 /nfs/dbraw/zinc/99/56/10/1348995610.db2.gz OPRIBLBBEVEWKT-RKVPGOIHSA-N -1 3 338.415 2.100 20 30 EEEDHM C[C@H](Nc1nc2c(cc1-c1nnn[n-]1)COCC2)c1ccc(C#N)cc1 ZINC001589989799 1349095655 /nfs/dbraw/zinc/09/56/55/1349095655.db2.gz DJNALAPIPJLCOR-NSHDSACASA-N -1 3 347.382 2.379 20 30 EEEDHM C[C@H](Nc1nc2c(cc1-c1nn[n-]n1)COCC2)c1ccc(C#N)cc1 ZINC001589989799 1349095659 /nfs/dbraw/zinc/09/56/59/1349095659.db2.gz DJNALAPIPJLCOR-NSHDSACASA-N -1 3 347.382 2.379 20 30 EEEDHM C[C@@H](O)c1ncc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC001590002877 1349102187 /nfs/dbraw/zinc/10/21/87/1349102187.db2.gz IGIPGDQELQIKPJ-SSDOTTSWSA-N -1 3 349.807 2.476 20 30 EEEDHM C[C@@H](O)c1ncc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC001590002877 1349102193 /nfs/dbraw/zinc/10/21/93/1349102193.db2.gz IGIPGDQELQIKPJ-SSDOTTSWSA-N -1 3 349.807 2.476 20 30 EEEDHM CC1(C)C[C@H](NN=Cc2c(F)cc(-c3nnn[n-]3)cc2F)CCO1 ZINC001590083383 1349144103 /nfs/dbraw/zinc/14/41/03/1349144103.db2.gz FVDYGTYPWPYJLK-SNVBAGLBSA-N -1 3 336.346 2.026 20 30 EEEDHM CC1(C)C[C@H](NN=Cc2c(F)cc(-c3nn[n-]n3)cc2F)CCO1 ZINC001590083383 1349144110 /nfs/dbraw/zinc/14/41/10/1349144110.db2.gz FVDYGTYPWPYJLK-SNVBAGLBSA-N -1 3 336.346 2.026 20 30 EEEDHM CCCC(C#N)(CCC)NC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001590538951 1349365502 /nfs/dbraw/zinc/36/55/02/1349365502.db2.gz UPXDIYSNEKCWJB-UHFFFAOYSA-N -1 3 342.403 2.468 20 30 EEEDHM CCCC(C#N)(CCC)NC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001590538951 1349365513 /nfs/dbraw/zinc/36/55/13/1349365513.db2.gz UPXDIYSNEKCWJB-UHFFFAOYSA-N -1 3 342.403 2.468 20 30 EEEDHM CN(C(=O)C=Cc1ccccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC001590978884 1349426734 /nfs/dbraw/zinc/42/67/34/1349426734.db2.gz YAAIDAHDFHCEKP-KTKRTIGZSA-N -1 3 330.351 2.415 20 30 EEEDHM CN(C(=O)C=Cc1ccccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC001590978884 1349426743 /nfs/dbraw/zinc/42/67/43/1349426743.db2.gz YAAIDAHDFHCEKP-KTKRTIGZSA-N -1 3 330.351 2.415 20 30 EEEDHM COc1ccc(CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(C)c1 ZINC001591583989 1349508997 /nfs/dbraw/zinc/50/89/97/1349508997.db2.gz RPLYDLITVDWDFF-UHFFFAOYSA-N -1 3 348.366 2.237 20 30 EEEDHM COc1ccc(CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(C)c1 ZINC001591583989 1349509001 /nfs/dbraw/zinc/50/90/01/1349509001.db2.gz RPLYDLITVDWDFF-UHFFFAOYSA-N -1 3 348.366 2.237 20 30 EEEDHM Cc1csc(NC(=O)N(CCC#N)CC2CC2)c1-c1nnn[n-]1 ZINC001592317032 1349620798 /nfs/dbraw/zinc/62/07/98/1349620798.db2.gz HIJDHSPZOIUKPL-UHFFFAOYSA-N -1 3 331.405 2.394 20 30 EEEDHM Cc1csc(NC(=O)N(CCC#N)CC2CC2)c1-c1nn[n-]n1 ZINC001592317032 1349620800 /nfs/dbraw/zinc/62/08/00/1349620800.db2.gz HIJDHSPZOIUKPL-UHFFFAOYSA-N -1 3 331.405 2.394 20 30 EEEDHM N#C[C@@]1(NC(=O)c2cccc(-c3nnn[n-]3)c2)CCc2ccccc2C1 ZINC001592671082 1349703857 /nfs/dbraw/zinc/70/38/57/1349703857.db2.gz DYOORXODPBMLLS-LJQANCHMSA-N -1 3 344.378 2.048 20 30 EEEDHM N#C[C@@]1(NC(=O)c2cccc(-c3nn[n-]n3)c2)CCc2ccccc2C1 ZINC001592671082 1349703865 /nfs/dbraw/zinc/70/38/65/1349703865.db2.gz DYOORXODPBMLLS-LJQANCHMSA-N -1 3 344.378 2.048 20 30 EEEDHM N#Cc1ccc(C(=O)NC2(c3ccc(-c4nnn[n-]4)cc3)CCC2)o1 ZINC001592690951 1349706521 /nfs/dbraw/zinc/70/65/21/1349706521.db2.gz TWEIBQGEWLVXMG-UHFFFAOYSA-N -1 3 334.339 2.141 20 30 EEEDHM N#Cc1ccc(C(=O)NC2(c3ccc(-c4nn[n-]n4)cc3)CCC2)o1 ZINC001592690951 1349706524 /nfs/dbraw/zinc/70/65/24/1349706524.db2.gz TWEIBQGEWLVXMG-UHFFFAOYSA-N -1 3 334.339 2.141 20 30 EEEDHM N#Cc1ccc(NC(=O)C[C@H]2CC[C@H](C3CC3)O2)cc1-c1nnn[n-]1 ZINC001592695314 1349707969 /nfs/dbraw/zinc/70/79/69/1349707969.db2.gz MLQHIMWGGBACPT-UKRRQHHQSA-N -1 3 338.371 2.025 20 30 EEEDHM N#Cc1ccc(NC(=O)C[C@H]2CC[C@H](C3CC3)O2)cc1-c1nn[n-]n1 ZINC001592695314 1349707972 /nfs/dbraw/zinc/70/79/72/1349707972.db2.gz MLQHIMWGGBACPT-UKRRQHHQSA-N -1 3 338.371 2.025 20 30 EEEDHM N#Cc1ccc2c(c1)CN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)C2 ZINC001592698176 1349708014 /nfs/dbraw/zinc/70/80/14/1349708014.db2.gz MDJAYQOLCXZMIM-FPLPWBNLSA-N -1 3 342.362 2.294 20 30 EEEDHM N#Cc1ccc2c(c1)CN(C(=O)C=Cc1ccccc1-c1nn[n-]n1)C2 ZINC001592698176 1349708018 /nfs/dbraw/zinc/70/80/18/1349708018.db2.gz MDJAYQOLCXZMIM-FPLPWBNLSA-N -1 3 342.362 2.294 20 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COc1cccc(C2(C(=O)N[C@H]3CCCN([O-])C3=O)CCCC2)c1 ZINC000820482808 785942185 /nfs/dbraw/zinc/94/21/85/785942185.db2.gz RZUOACIUUKLCGC-HNNXBMFYSA-N -1 3 332.400 2.003 20 30 EEEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000820544133 785960611 /nfs/dbraw/zinc/96/06/11/785960611.db2.gz FBMGOAIFGHQADX-MRXNPFEDSA-N -1 3 331.416 2.177 20 30 EEEDHM N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001136496535 786898224 /nfs/dbraw/zinc/89/82/24/786898224.db2.gz HSNMALLSQJVMSY-JKSUJKDBSA-N -1 3 330.351 2.481 20 30 EEEDHM N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001136496535 786898233 /nfs/dbraw/zinc/89/82/33/786898233.db2.gz HSNMALLSQJVMSY-JKSUJKDBSA-N -1 3 330.351 2.481 20 30 EEEDHM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC000846551204 790231077 /nfs/dbraw/zinc/23/10/77/790231077.db2.gz UAIULNFXFXTFLE-HZPDHXFCSA-N -1 3 346.427 2.316 20 30 EEEDHM C=C(C)CO[N-]C(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC000846540226 790237351 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N#CC1([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)Cc2ccccc2C1 ZINC001185177699 802376067 /nfs/dbraw/zinc/37/60/67/802376067.db2.gz QMLBJUSTNDVDAS-UHFFFAOYSA-N -1 3 348.374 2.445 20 30 EEEDHM N#Cc1c(F)cccc1NC[C@H]1CC[C@H](NC(=O)c2cn[n-]n2)CC1 ZINC001066453120 802566463 /nfs/dbraw/zinc/56/64/63/802566463.db2.gz DVWNURJBGORXNM-HAQNSBGRSA-N -1 3 342.378 2.216 20 30 EEEDHM C[C@@H](OC(=O)c1cccc2nn[n-]c21)C(=O)Nc1ccccc1C#N ZINC000790075367 808367665 /nfs/dbraw/zinc/36/76/65/808367665.db2.gz WBHUIXHBMUHWIB-SNVBAGLBSA-N -1 3 335.323 2.014 20 30 EEEDHM C[C@@H](OC(=O)c1cccc2[n-]nnc21)C(=O)Nc1ccccc1C#N ZINC000790075367 808367672 /nfs/dbraw/zinc/36/76/72/808367672.db2.gz WBHUIXHBMUHWIB-SNVBAGLBSA-N -1 3 335.323 2.014 20 30 EEEDHM C[C@@H](OC(=O)c1cccc2n[n-]nc21)C(=O)Nc1ccccc1C#N ZINC000790075367 808367677 /nfs/dbraw/zinc/36/76/77/808367677.db2.gz WBHUIXHBMUHWIB-SNVBAGLBSA-N -1 3 335.323 2.014 20 30 EEEDHM C=C(C)CCC(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)[C@H]1C ZINC001573299053 947086612 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C=CCC(C)(C)C(=O)N(CC)CCNc1ncccc1-c1nnn[n-]1 ZINC001573319078 947322282 /nfs/dbraw/zinc/32/22/82/947322282.db2.gz JWDRGAAJRKTCIG-UHFFFAOYSA-N -1 3 343.435 2.124 20 30 EEEDHM C=CCC(C)(C)C(=O)N(CC)CCNc1ncccc1-c1nn[n-]n1 ZINC001573319078 947322298 /nfs/dbraw/zinc/32/22/98/947322298.db2.gz JWDRGAAJRKTCIG-UHFFFAOYSA-N -1 3 343.435 2.124 20 30 EEEDHM N#CC1(c2ccc(COC(=O)c3c[nH]c(-c4nnn[n-]4)c3)cc2)CC1 ZINC000826381077 948177737 /nfs/dbraw/zinc/17/77/37/948177737.db2.gz WRYPCGJWDNUBIM-UHFFFAOYSA-N -1 3 334.339 2.107 20 30 EEEDHM N#CC1(c2ccc(COC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cc2)CC1 ZINC000826381077 948177742 /nfs/dbraw/zinc/17/77/42/948177742.db2.gz WRYPCGJWDNUBIM-UHFFFAOYSA-N -1 3 334.339 2.107 20 30 EEEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(CC#N)ccn1 ZINC001575188655 952450346 /nfs/dbraw/zinc/45/03/46/952450346.db2.gz KBVXBZBQPIMQBQ-LBPRGKRZSA-N -1 3 347.382 2.145 20 30 EEEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(CC#N)ccn1 ZINC001575188655 952450348 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EEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCO[C@@H]1C(C)C ZINC000267474627 256062666 /nfs/dbraw/zinc/06/26/66/256062666.db2.gz UDSZFXHRWQEMOD-RDTXWAMCSA-N -1 3 345.443 2.386 20 30 EEEDHM CC(C)[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(C)(C)O ZINC000277120758 256499135 /nfs/dbraw/zinc/49/91/35/256499135.db2.gz VHPBZZCYBXIHSB-ZDUSSCGKSA-N -1 3 330.837 2.285 20 30 EEEDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cc(C#N)ccc1F ZINC000173739895 152193189 /nfs/dbraw/zinc/19/31/89/152193189.db2.gz KODQVFNZZCIWEJ-UHFFFAOYSA-N -1 3 349.343 2.393 20 30 EEEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@@H]23)c1 ZINC000249942194 160386903 /nfs/dbraw/zinc/38/69/03/160386903.db2.gz TWJIBHQPIINVMW-UHTWSYAYSA-N -1 3 326.805 2.057 20 30 EEEDHM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000341212968 160974572 /nfs/dbraw/zinc/97/45/72/160974572.db2.gz IBVFXIUPTKPJGX-ZWNOBZJWSA-N -1 3 328.821 2.305 20 30 EEEDHM CC[C@H](C)N[C@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccco1 ZINC000344822108 161248721 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CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000490546934 267113362 /nfs/dbraw/zinc/11/33/62/267113362.db2.gz KDJJKQYYKJMDCH-UHFFFAOYSA-N -1 3 338.429 2.100 20 30 EEEDHM Cc1csc([C@@H]([N-]S(=O)(=O)c2cncc(C#N)c2)C2CC2)n1 ZINC000289527237 267551648 /nfs/dbraw/zinc/55/16/48/267551648.db2.gz RYGSYJQTMIGWFG-ZDUSSCGKSA-N -1 3 334.426 2.148 20 30 EEEDHM COCCOc1ccc(C#N)cc1NC([O-])=NO[C@H]1CCCCO1 ZINC000274891041 269070874 /nfs/dbraw/zinc/07/08/74/269070874.db2.gz POTBMQOLBLKJCV-HNNXBMFYSA-N -1 3 335.360 2.163 20 30 EEEDHM COCCOc1ccc(C#N)cc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000274891041 269070876 /nfs/dbraw/zinc/07/08/76/269070876.db2.gz POTBMQOLBLKJCV-HNNXBMFYSA-N -1 3 335.360 2.163 20 30 EEEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCC[C@H]1F ZINC000339121754 303174566 /nfs/dbraw/zinc/17/45/66/303174566.db2.gz XXXAYDKWLQBYAL-MNOVXSKESA-N -1 3 347.209 2.490 20 30 EEEDHM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)CCC1 ZINC000538283009 318034210 /nfs/dbraw/zinc/03/42/10/318034210.db2.gz 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EEEDHM C=CCC(C)(C)CNC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588539532 1348914952 /nfs/dbraw/zinc/91/49/52/1348914952.db2.gz OWOZQJXBFOHENK-UHFFFAOYSA-N -1 3 326.404 2.494 20 30 EEEDHM C=CCC(C)(C)C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588532984 1348914989 /nfs/dbraw/zinc/91/49/89/1348914989.db2.gz KWCOBIPLHADRCJ-LBPRGKRZSA-N -1 3 343.435 2.028 20 30 EEEDHM C=CCC(C)(C)C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588532984 1348914993 /nfs/dbraw/zinc/91/49/93/1348914993.db2.gz KWCOBIPLHADRCJ-LBPRGKRZSA-N -1 3 343.435 2.028 20 30 EEEDHM C=CCN(CCc1ccco1)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588635273 1348925340 /nfs/dbraw/zinc/92/53/40/1348925340.db2.gz GKJUVSPNZSGQSI-UHFFFAOYSA-N -1 3 339.359 2.117 20 30 EEEDHM C=CCN(CCc1ccco1)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588635273 1348925341 /nfs/dbraw/zinc/92/53/41/1348925341.db2.gz GKJUVSPNZSGQSI-UHFFFAOYSA-N -1 3 339.359 2.117 20 30 EEEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccnc(C#N)c1 ZINC001589755278 1349029750 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COc1cc(C=C2Cc3c(cccc3O)C2=O)ccc1-c1nn[n-]n1 ZINC001591522845 1349496495 /nfs/dbraw/zinc/49/64/95/1349496495.db2.gz ORJXUSDADIHESI-XFFZJAGNSA-N -1 3 334.335 2.403 20 30 EEEDHM Cc1cc(C=NNCc2ccccc2N(C)C)ccc1-c1nnn[n-]1 ZINC001591958426 1349568560 /nfs/dbraw/zinc/56/85/60/1349568560.db2.gz CXGYNIFWSFLXRH-UHFFFAOYSA-N -1 3 335.415 2.365 20 30 EEEDHM Cc1cc(C=NNCc2ccccc2N(C)C)ccc1-c1nn[n-]n1 ZINC001591958426 1349568569 /nfs/dbraw/zinc/56/85/69/1349568569.db2.gz CXGYNIFWSFLXRH-UHFFFAOYSA-N -1 3 335.415 2.365 20 30 EEEDHM Cc1cc(N2CC(CC#N)C2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC001592000231 1349580512 /nfs/dbraw/zinc/58/05/12/1349580512.db2.gz ZUSQBBABWOUJOH-UHFFFAOYSA-N -1 3 344.382 2.326 20 30 EEEDHM Cc1cc(N2CC(CC#N)C2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC001592000231 1349580515 /nfs/dbraw/zinc/58/05/15/1349580515.db2.gz ZUSQBBABWOUJOH-UHFFFAOYSA-N -1 3 344.382 2.326 20 30 EEEDHM Cc1cc(N2CC(C)(C#N)C2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC001591999568 1349581438 /nfs/dbraw/zinc/58/14/38/1349581438.db2.gz 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ZINC001592697972 1349707739 /nfs/dbraw/zinc/70/77/39/1349707739.db2.gz XHAVPLHIOBVYIU-OAHLLOKOSA-N -1 3 327.351 2.189 20 30 EEEDHM N#Cc1ccc2c(c1)C[C@H](Nc1c(C#N)cccc1-c1nn[n-]n1)C2 ZINC001592697972 1349707743 /nfs/dbraw/zinc/70/77/43/1349707743.db2.gz XHAVPLHIOBVYIU-OAHLLOKOSA-N -1 3 327.351 2.189 20 30 EEEDHM C#C[C@H](NC(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001602687810 1350572992 /nfs/dbraw/zinc/57/29/92/1350572992.db2.gz FAZIJMPPXQSMTR-KRWDZBQOSA-N -1 3 346.394 2.349 20 30 EEEDHM C#C[C@H](NC(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001602687810 1350572995 /nfs/dbraw/zinc/57/29/95/1350572995.db2.gz FAZIJMPPXQSMTR-KRWDZBQOSA-N -1 3 346.394 2.349 20 30 EEEDHM C#CC[C@@H](CC)c1nnc(N2Cc3ccc(-c4nnn[n-]4)cc3C2)n1C ZINC001602697786 1350574679 /nfs/dbraw/zinc/57/46/79/1350574679.db2.gz SCCPDQDDWSKKEA-GFCCVEGCSA-N -1 3 348.414 2.032 20 30 EEEDHM C#CC[C@@H](CC)c1nnc(N2Cc3ccc(-c4nn[n-]n4)cc3C2)n1C ZINC001602697786 1350574681 /nfs/dbraw/zinc/57/46/81/1350574681.db2.gz SCCPDQDDWSKKEA-GFCCVEGCSA-N -1 3 348.414 2.032 20 30 EEEDHM C#CC[C@H]1CCCN(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)C1 ZINC001602699558 1350575627 /nfs/dbraw/zinc/57/56/27/1350575627.db2.gz ICAGWTMZEYZIMW-NSHDSACASA-N -1 3 328.351 2.273 20 30 EEEDHM C#CC[C@H]1CCCN(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)C1 ZINC001602699558 1350575628 /nfs/dbraw/zinc/57/56/28/1350575628.db2.gz ICAGWTMZEYZIMW-NSHDSACASA-N -1 3 328.351 2.273 20 30 EEEDHM C#Cc1ccc(CNC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001602741635 1350579165 /nfs/dbraw/zinc/57/91/65/1350579165.db2.gz RQIFLGOFZBQTOD-UHFFFAOYSA-N -1 3 346.394 2.190 20 30 EEEDHM C#Cc1ccc(CNC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001602741635 1350579166 /nfs/dbraw/zinc/57/91/66/1350579166.db2.gz RQIFLGOFZBQTOD-UHFFFAOYSA-N -1 3 346.394 2.190 20 30 EEEDHM C=C(C)CN(CC)CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC001602758720 1350582808 /nfs/dbraw/zinc/58/28/08/1350582808.db2.gz PGBQOSRMVXDTFF-UHFFFAOYSA-N -1 3 334.811 2.357 20 30 EEEDHM C=C(C)CN(CC)CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC001602758720 1350582813 /nfs/dbraw/zinc/58/28/13/1350582813.db2.gz PGBQOSRMVXDTFF-UHFFFAOYSA-N -1 3 334.811 2.357 20 30 EEEDHM C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001602785452 1350586158 /nfs/dbraw/zinc/58/61/58/1350586158.db2.gz VIWXBJLFUWGXSF-NEPJUHHUSA-N -1 3 343.435 2.169 20 30 EEEDHM C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001602785452 1350586164 /nfs/dbraw/zinc/58/61/64/1350586164.db2.gz VIWXBJLFUWGXSF-NEPJUHHUSA-N -1 3 343.435 2.169 20 30 EEEDHM C=C[C@H](C)NC(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001602798683 1350587625 /nfs/dbraw/zinc/58/76/25/1350587625.db2.gz QWHBDJINNVCDDN-ZETCQYMHSA-N -1 3 342.281 2.461 20 30 EEEDHM C=C[C@H](C)NC(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001602798683 1350587629 /nfs/dbraw/zinc/58/76/29/1350587629.db2.gz QWHBDJINNVCDDN-ZETCQYMHSA-N -1 3 342.281 2.461 20 30 EEEDHM C=CC[C@@H]1CCCN(S(=O)(=O)c2c(C)cccc2-c2nnn[n-]2)C1 ZINC001602822629 1350591112 /nfs/dbraw/zinc/59/11/12/1350591112.db2.gz DAJCDLQKCCOYAJ-CYBMUJFWSA-N -1 3 347.444 2.152 20 30 EEEDHM C=CC[C@@H]1CCCN(S(=O)(=O)c2c(C)cccc2-c2nn[n-]n2)C1 ZINC001602822629 1350591115 /nfs/dbraw/zinc/59/11/15/1350591115.db2.gz DAJCDLQKCCOYAJ-CYBMUJFWSA-N -1 3 347.444 2.152 20 30 EEEDHM C=CCCN(C)C(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001602839623 1350594328 /nfs/dbraw/zinc/59/43/28/1350594328.db2.gz DCGWXWXOYKPHCH-UHFFFAOYSA-N -1 3 336.193 2.277 20 30 EEEDHM C=CCCN(C)C(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001602839623 1350594333 /nfs/dbraw/zinc/59/43/33/1350594333.db2.gz DCGWXWXOYKPHCH-UHFFFAOYSA-N -1 3 336.193 2.277 20 30 EEEDHM C=CCCCNC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001602840334 1350594424 /nfs/dbraw/zinc/59/44/24/1350594424.db2.gz WUNDLARHTWRTIC-HNNXBMFYSA-N -1 3 329.404 2.353 20 30 EEEDHM C=CCCCNC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001602840334 1350594427 /nfs/dbraw/zinc/59/44/27/1350594427.db2.gz WUNDLARHTWRTIC-HNNXBMFYSA-N -1 3 329.404 2.353 20 30 EEEDHM C=CCn1cc2ccc(NC(=O)c3cc(-c4nnn[n-]4)ccn3)cc2n1 ZINC001602884288 1350599935 /nfs/dbraw/zinc/59/99/35/1350599935.db2.gz YFDNKFMSJQHCBB-UHFFFAOYSA-N -1 3 346.354 2.050 20 30 EEEDHM C=CCn1cc2ccc(NC(=O)c3cc(-c4nn[n-]n4)ccn3)cc2n1 ZINC001602884288 1350599942 /nfs/dbraw/zinc/59/99/42/1350599942.db2.gz YFDNKFMSJQHCBB-UHFFFAOYSA-N -1 3 346.354 2.050 20 30 EEEDHM CC(C)(C#N)CCCCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001603034423 1350624897 /nfs/dbraw/zinc/62/48/97/1350624897.db2.gz BJMMMIQVSCUOAY-UHFFFAOYSA-N -1 3 333.417 2.360 20 30 EEEDHM CC(C)(C#N)CCCCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001603034423 1350624900 /nfs/dbraw/zinc/62/49/00/1350624900.db2.gz BJMMMIQVSCUOAY-UHFFFAOYSA-N -1 3 333.417 2.360 20 30 EEEDHM CC(C)(C(=O)NCC1(C#N)CCC1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001603043301 1350626707 /nfs/dbraw/zinc/62/67/07/1350626707.db2.gz KSZNOVQFNAIEQI-UHFFFAOYSA-N -1 3 342.378 2.093 20 30 EEEDHM CC(C)(C(=O)NCC1(C#N)CCC1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001603043301 1350626712 /nfs/dbraw/zinc/62/67/12/1350626712.db2.gz KSZNOVQFNAIEQI-UHFFFAOYSA-N -1 3 342.378 2.093 20 30 EEEDHM CC(C)(C)OCCCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001603102075 1350640127 /nfs/dbraw/zinc/64/01/27/1350640127.db2.gz BRWXKNAWTQXWAB-UHFFFAOYSA-N -1 3 328.376 2.272 20 30 EEEDHM CC(C)(C)OCCCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001603102075 1350640131 /nfs/dbraw/zinc/64/01/31/1350640131.db2.gz BRWXKNAWTQXWAB-UHFFFAOYSA-N -1 3 328.376 2.272 20 30 EEEDHM CC(C)(C)c1ccc(N=NCc2ccc(-c3nnn[n-]3)s2)nn1 ZINC001603116809 1350643983 /nfs/dbraw/zinc/64/39/83/1350643983.db2.gz FHZKQVWDAQSOLY-UHFFFAOYSA-N -1 3 328.405 2.462 20 30 EEEDHM C[C@H](NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC001603643764 1350733060 /nfs/dbraw/zinc/73/30/60/1350733060.db2.gz UMUHSAIYGWEULJ-JTQLQIEISA-N -1 3 336.330 2.368 20 30 EEEDHM C[C@H](NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC001603643764 1350733061 /nfs/dbraw/zinc/73/30/61/1350733061.db2.gz UMUHSAIYGWEULJ-JTQLQIEISA-N -1 3 336.330 2.368 20 30 EEEDHM CCNc1ccc(C#N)cc1NC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001604360249 1350923448 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C#CCCCCC(=O)Nc1cc(C)c(N(C)C)cc1-c1nnn[n-]1 ZINC001609019948 1351815852 /nfs/dbraw/zinc/81/58/52/1351815852.db2.gz MCBYUQXDDVKPKY-UHFFFAOYSA-N -1 3 326.404 2.373 20 30 EEEDHM C#CCCCCC(=O)Nc1cc(C)c(N(C)C)cc1-c1nn[n-]n1 ZINC001609019948 1351815855 /nfs/dbraw/zinc/81/58/55/1351815855.db2.gz MCBYUQXDDVKPKY-UHFFFAOYSA-N -1 3 326.404 2.373 20 30 EEEDHM C=CCOC[C@@H]([N-]C(=O)C(F)(F)c1ccc(Cl)cc1)C(=O)OC ZINC001321144067 1333029973 /nfs/dbraw/zinc/02/99/73/1333029973.db2.gz DMBISMXCTQQZHK-GFCCVEGCSA-N -1 3 347.745 2.292 20 30 EEEDHM C=C[C@H]1CCCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001609052795 1351824389 /nfs/dbraw/zinc/82/43/89/1351824389.db2.gz QDMITEOAWOVAEH-OLZOCXBDSA-N -1 3 327.388 2.201 20 30 EEEDHM C=C[C@H]1CCCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001609052795 1351824392 /nfs/dbraw/zinc/82/43/92/1351824392.db2.gz QDMITEOAWOVAEH-OLZOCXBDSA-N -1 3 327.388 2.201 20 30 EEEDHM C=C[C@H]1CCCCN1CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC001609052539 1351824557 /nfs/dbraw/zinc/82/45/57/1351824557.db2.gz GPLSKEGWIAIPON-LBPRGKRZSA-N -1 3 330.392 2.056 20 30 EEEDHM C=C[C@H]1CCCCN1CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC001609052539 1351824560 /nfs/dbraw/zinc/82/45/60/1351824560.db2.gz GPLSKEGWIAIPON-LBPRGKRZSA-N -1 3 330.392 2.056 20 30 EEEDHM C=CCN(C(C)C)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609056245 1351826837 /nfs/dbraw/zinc/82/68/37/1351826837.db2.gz YYBQPSPNSPTSFB-UHFFFAOYSA-N -1 3 341.824 2.105 20 30 EEEDHM C=CCN(C(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609056245 1351826840 /nfs/dbraw/zinc/82/68/40/1351826840.db2.gz YYBQPSPNSPTSFB-UHFFFAOYSA-N -1 3 341.824 2.105 20 30 EEEDHM CC(=NNC(=S)NCCC(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC001609060973 1351827293 /nfs/dbraw/zinc/82/72/93/1351827293.db2.gz RZLAGOWCGJFSMJ-UHFFFAOYSA-N -1 3 331.449 2.101 20 30 EEEDHM CC(=NNC(=S)NCCC(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC001609060973 1351827298 /nfs/dbraw/zinc/82/72/98/1351827298.db2.gz RZLAGOWCGJFSMJ-UHFFFAOYSA-N -1 3 331.449 2.101 20 30 EEEDHM C=C[C@@H](COC)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001324016324 1333588921 /nfs/dbraw/zinc/58/89/21/1333588921.db2.gz ORNSNVZQGLEQJX-VIFPVBQESA-N -1 3 338.198 2.068 20 30 EEEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1nc(C#N)c(Cl)s1 ZINC001609278701 1351920340 /nfs/dbraw/zinc/92/03/40/1351920340.db2.gz TXCGHSCIZFSTKL-UHFFFAOYSA-N -1 3 331.792 2.485 20 30 EEEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1nc(C#N)c(Cl)s1 ZINC001609278701 1351920342 /nfs/dbraw/zinc/92/03/42/1351920342.db2.gz TXCGHSCIZFSTKL-UHFFFAOYSA-N -1 3 331.792 2.485 20 30 EEEDHM COc1c(C)cnc(CN(C)c2c(C#N)cccc2-c2nnn[n-]2)c1C ZINC001609333144 1351935954 /nfs/dbraw/zinc/93/59/54/1351935954.db2.gz OLZKCZVNUJYTDL-UHFFFAOYSA-N -1 3 349.398 2.395 20 30 EEEDHM COc1c(C)cnc(CN(C)c2c(C#N)cccc2-c2nn[n-]n2)c1C ZINC001609333144 1351935956 /nfs/dbraw/zinc/93/59/56/1351935956.db2.gz OLZKCZVNUJYTDL-UHFFFAOYSA-N -1 3 349.398 2.395 20 30 EEEDHM COc1ccc(NC(=O)[C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001609357499 1351946171 /nfs/dbraw/zinc/94/61/71/1351946171.db2.gz GSUMCLQQSQLDMI-AWEZNQCLSA-N -1 3 348.366 2.196 20 30 EEEDHM COc1ccc(NC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001609357499 1351946172 /nfs/dbraw/zinc/94/61/72/1351946172.db2.gz GSUMCLQQSQLDMI-AWEZNQCLSA-N -1 3 348.366 2.196 20 30 EEEDHM Cc1cc(OS(=O)(=O)CCCCC#N)c(C)c(C)c1-c1nnn[n-]1 ZINC001609411392 1351966407 /nfs/dbraw/zinc/96/64/07/1351966407.db2.gz DKAPFIOKMKHFAU-UHFFFAOYSA-N -1 3 349.416 2.194 20 30 EEEDHM Cc1cc(OS(=O)(=O)CCCCC#N)c(C)c(C)c1-c1nn[n-]n1 ZINC001609411392 1351966412 /nfs/dbraw/zinc/96/64/12/1351966412.db2.gz DKAPFIOKMKHFAU-UHFFFAOYSA-N -1 3 349.416 2.194 20 30 EEEDHM Cn1cncc1C=NNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001609481308 1351993364 /nfs/dbraw/zinc/99/33/64/1351993364.db2.gz LWZMQNGMGBLADI-UHFFFAOYSA-N -1 3 336.281 2.065 20 30 EEEDHM O=C(N([O-])Cc1ccc(F)cc1)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC001332493975 1335835051 /nfs/dbraw/zinc/83/50/51/1335835051.db2.gz TXQXWJGGIXZXGW-IBGZPJMESA-N -1 3 342.370 2.392 20 30 EEEDHM COc1ccc(C#N)cc1CN1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001579969188 1344441530 /nfs/dbraw/zinc/44/15/30/1344441530.db2.gz GLLLVBPJLBFBMO-UHFFFAOYSA-N -1 3 332.367 2.263 20 30 EEEDHM COc1ccc(C#N)cc1CN1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001579969188 1344441533 /nfs/dbraw/zinc/44/15/33/1344441533.db2.gz GLLLVBPJLBFBMO-UHFFFAOYSA-N -1 3 332.367 2.263 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)cc(NC(=O)CCc2ccc(C#N)cc2)n1 ZINC001580620779 1344545099 /nfs/dbraw/zinc/54/50/99/1344545099.db2.gz RLLYILJREQQYBL-UHFFFAOYSA-N -1 3 333.355 2.013 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)cc(NC(=O)CCc2ccc(C#N)cc2)n1 ZINC001580620779 1344545102 /nfs/dbraw/zinc/54/51/02/1344545102.db2.gz RLLYILJREQQYBL-UHFFFAOYSA-N -1 3 333.355 2.013 20 30 EEEDHM Cc1cc(N(C)CCOCc2ccc(-c3nnn[n-]3)cc2)ncc1C#N ZINC001580949633 1344575018 /nfs/dbraw/zinc/57/50/18/1344575018.db2.gz ITZNLBOOKRNNFU-UHFFFAOYSA-N -1 3 349.398 2.095 20 30 EEEDHM Cc1cc(N(C)CCOCc2ccc(-c3nn[n-]n3)cc2)ncc1C#N ZINC001580949633 1344575019 /nfs/dbraw/zinc/57/50/19/1344575019.db2.gz ITZNLBOOKRNNFU-UHFFFAOYSA-N -1 3 349.398 2.095 20 30 EEEDHM N#C[C@H]1CC[C@@H](Nc2ncc(Br)cc2-c2nnn[n-]2)C1 ZINC001581860094 1344680088 /nfs/dbraw/zinc/68/00/88/1344680088.db2.gz KJVJYDDIBFYHCQ-IONNQARKSA-N -1 3 334.181 2.128 20 30 EEEDHM N#C[C@H]1CC[C@@H](Nc2ncc(Br)cc2-c2nn[n-]n2)C1 ZINC001581860094 1344680095 /nfs/dbraw/zinc/68/00/95/1344680095.db2.gz KJVJYDDIBFYHCQ-IONNQARKSA-N -1 3 334.181 2.128 20 30 EEEDHM N#Cc1c(Cl)nsc1N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001581860819 1344680357 /nfs/dbraw/zinc/68/03/57/1344680357.db2.gz UXVNHICSCDJMKZ-UHFFFAOYSA-N -1 3 329.776 2.368 20 30 EEEDHM N#Cc1c(Cl)nsc1N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001581860819 1344680370 /nfs/dbraw/zinc/68/03/70/1344680370.db2.gz UXVNHICSCDJMKZ-UHFFFAOYSA-N -1 3 329.776 2.368 20 30 EEEDHM N#C[C@H]1C[C@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC001581859978 1344680693 /nfs/dbraw/zinc/68/06/93/1344680693.db2.gz FSQFSUGZGJFNOK-PSASIEDQSA-N -1 3 328.401 2.295 20 30 EEEDHM N#C[C@H]1C[C@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC001581859978 1344680700 /nfs/dbraw/zinc/68/07/00/1344680700.db2.gz FSQFSUGZGJFNOK-PSASIEDQSA-N -1 3 328.401 2.295 20 30 EEEDHM N#Cc1cc(C(=O)N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)co1 ZINC001581865097 1344681433 /nfs/dbraw/zinc/68/14/33/1344681433.db2.gz DKFSJKIYMVBMPY-HNNXBMFYSA-N -1 3 334.339 2.139 20 30 EEEDHM N#Cc1cc(C(=O)N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)co1 ZINC001581865097 1344681438 /nfs/dbraw/zinc/68/14/38/1344681438.db2.gz DKFSJKIYMVBMPY-HNNXBMFYSA-N -1 3 334.339 2.139 20 30 EEEDHM N#Cc1cccc([N+](=O)[O-])c1CN1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001581875633 1344684087 /nfs/dbraw/zinc/68/40/87/1344684087.db2.gz IVAUSIIUFMUDAA-UHFFFAOYSA-N -1 3 347.338 2.162 20 30 EEEDHM N#Cc1cccc([N+](=O)[O-])c1CN1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001581875633 1344684091 /nfs/dbraw/zinc/68/40/91/1344684091.db2.gz IVAUSIIUFMUDAA-UHFFFAOYSA-N -1 3 347.338 2.162 20 30 EEEDHM C#CC[C@@H](COC)Nc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588334243 1348891162 /nfs/dbraw/zinc/89/11/62/1348891162.db2.gz REIJHGUDTWLQJD-JTQLQIEISA-N -1 3 325.294 2.336 20 30 EEEDHM C#CC[C@@H](COC)Nc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588334243 1348891165 /nfs/dbraw/zinc/89/11/65/1348891165.db2.gz REIJHGUDTWLQJD-JTQLQIEISA-N -1 3 325.294 2.336 20 30 EEEDHM C#CC[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Br)C1 ZINC001588337105 1348891832 /nfs/dbraw/zinc/89/18/32/1348891832.db2.gz IZXLKYBUVJJGNA-SNVBAGLBSA-N -1 3 347.220 2.264 20 30 EEEDHM C#CC[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Br)C1 ZINC001588337105 1348891835 /nfs/dbraw/zinc/89/18/35/1348891835.db2.gz IZXLKYBUVJJGNA-SNVBAGLBSA-N -1 3 347.220 2.264 20 30 EEEDHM C#CCN(C)C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC001588349152 1348894251 /nfs/dbraw/zinc/89/42/51/1348894251.db2.gz FLGZCAMFMNQAOM-UHFFFAOYSA-N -1 3 347.378 2.151 20 30 EEEDHM C#CCN(C)C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC001588349152 1348894254 /nfs/dbraw/zinc/89/42/54/1348894254.db2.gz FLGZCAMFMNQAOM-UHFFFAOYSA-N -1 3 347.378 2.151 20 30 EEEDHM C#Cc1ccc(C(=O)NC2(c3ccc(-c4nnn[n-]4)cc3)CCC2)cn1 ZINC001588368774 1348896252 /nfs/dbraw/zinc/89/62/52/1348896252.db2.gz YCACNZLAJLYHHY-UHFFFAOYSA-N -1 3 344.378 2.052 20 30 EEEDHM C#Cc1ccc(C(=O)NC2(c3ccc(-c4nn[n-]n4)cc3)CCC2)cn1 ZINC001588368774 1348896257 /nfs/dbraw/zinc/89/62/57/1348896257.db2.gz YCACNZLAJLYHHY-UHFFFAOYSA-N -1 3 344.378 2.052 20 30 EEEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1scc(C)c1-c1nnn[n-]1 ZINC001588401610 1348900803 /nfs/dbraw/zinc/90/08/03/1348900803.db2.gz VRNXMZXYMDBSCU-ZYHUDNBSSA-N -1 3 348.432 2.339 20 30 EEEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1scc(C)c1-c1nn[n-]n1 ZINC001588401610 1348900807 /nfs/dbraw/zinc/90/08/07/1348900807.db2.gz VRNXMZXYMDBSCU-ZYHUDNBSSA-N -1 3 348.432 2.339 20 30 EEEDHM C=C(C)CONC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC001588429258 1348904062 /nfs/dbraw/zinc/90/40/62/1348904062.db2.gz FSVSTCSBAAHGIM-UHFFFAOYSA-N -1 3 332.364 2.283 20 30 EEEDHM C=CC(C)(C)CCN[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC001588488294 1348909061 /nfs/dbraw/zinc/90/90/61/1348909061.db2.gz HKWUCYSLNBUVRF-AWEZNQCLSA-N -1 3 329.404 2.273 20 30 EEEDHM C=CC(C)(C)CCN[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC001588488294 1348909064 /nfs/dbraw/zinc/90/90/64/1348909064.db2.gz HKWUCYSLNBUVRF-AWEZNQCLSA-N -1 3 329.404 2.273 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)N(C)CCNc1snc(C)c1-c1nnn[n-]1 ZINC001588492771 1348909291 /nfs/dbraw/zinc/90/92/91/1348909291.db2.gz WETPKASOQIVRTG-HNNXBMFYSA-N -1 3 349.464 2.104 20 30 EEEDHM C=C[C@@](C)(CCOC)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC001588499808 1348910554 /nfs/dbraw/zinc/91/05/54/1348910554.db2.gz MRKSUXMVESEWIB-INIZCTEOSA-N -1 3 334.351 2.278 20 30 EEEDHM C=C[C@@](C)(CCOC)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC001588499808 1348910558 /nfs/dbraw/zinc/91/05/58/1348910558.db2.gz MRKSUXMVESEWIB-INIZCTEOSA-N -1 3 334.351 2.278 20 30 EEEDHM C=CCC1(NC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCOCC1 ZINC001588557092 1348915774 /nfs/dbraw/zinc/91/57/74/1348915774.db2.gz HFYBMJBLLKZMRG-UHFFFAOYSA-N -1 3 347.806 2.375 20 30 EEEDHM C=CCC1(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCOCC1 ZINC001588557092 1348915777 /nfs/dbraw/zinc/91/57/77/1348915777.db2.gz HFYBMJBLLKZMRG-UHFFFAOYSA-N -1 3 347.806 2.375 20 30 EEEDHM C=CCC1(C(=O)N2CC(Nc3cccc(-c4nnn[n-]4)c3)C2)CCC1 ZINC001588549750 1348915921 /nfs/dbraw/zinc/91/59/21/1348915921.db2.gz WWKFLKGQFQJYPP-UHFFFAOYSA-N -1 3 338.415 2.236 20 30 EEEDHM C=CCC1(C(=O)N2CC(Nc3cccc(-c4nn[n-]n4)c3)C2)CCC1 ZINC001588549750 1348915924 /nfs/dbraw/zinc/91/59/24/1348915924.db2.gz WWKFLKGQFQJYPP-UHFFFAOYSA-N -1 3 338.415 2.236 20 30 EEEDHM C=CC[C@@H]1CCCN(c2nc3c(cc2-c2nnn[n-]2)COCC3)C1 ZINC001588560366 1348916488 /nfs/dbraw/zinc/91/64/88/1348916488.db2.gz POEAEBKILZJBSP-GFCCVEGCSA-N -1 3 326.404 2.127 20 30 EEEDHM C=CC[C@@H]1CCCN(c2nc3c(cc2-c2nn[n-]n2)COCC3)C1 ZINC001588560366 1348916489 /nfs/dbraw/zinc/91/64/89/1348916489.db2.gz POEAEBKILZJBSP-GFCCVEGCSA-N -1 3 326.404 2.127 20 30 EEEDHM C=CCCC(=O)N[C@H](C)CCCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588571552 1348918697 /nfs/dbraw/zinc/91/86/97/1348918697.db2.gz KZXXUXPHLYUZGO-GFCCVEGCSA-N -1 3 343.435 2.233 20 30 EEEDHM C=CCCC(=O)N[C@H](C)CCCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588571552 1348918699 /nfs/dbraw/zinc/91/86/99/1348918699.db2.gz KZXXUXPHLYUZGO-GFCCVEGCSA-N -1 3 343.435 2.233 20 30 EEEDHM C=CCCCC(=O)N(C)CCCNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588581870 1348920236 /nfs/dbraw/zinc/92/02/36/1348920236.db2.gz BZMQVFCZZHXZAF-UHFFFAOYSA-N -1 3 343.435 2.187 20 30 EEEDHM C=CCCCC(=O)N(C)CCCNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588581870 1348920239 /nfs/dbraw/zinc/92/02/39/1348920239.db2.gz BZMQVFCZZHXZAF-UHFFFAOYSA-N -1 3 343.435 2.187 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)c1ccccc1 ZINC001588638943 1348925440 /nfs/dbraw/zinc/92/54/40/1348925440.db2.gz KCJQMIJFJPGWQC-UHFFFAOYSA-N -1 3 347.378 2.264 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)c1ccccc1 ZINC001588638943 1348925441 /nfs/dbraw/zinc/92/54/41/1348925441.db2.gz KCJQMIJFJPGWQC-UHFFFAOYSA-N -1 3 347.378 2.264 20 30 EEEDHM CC(=Cc1ccncc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001588772485 1348933849 /nfs/dbraw/zinc/93/38/49/1348933849.db2.gz PPKALFCJSXVCPY-FLIBITNWSA-N -1 3 331.339 2.175 20 30 EEEDHM CC(=Cc1ccncc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001588772485 1348933850 /nfs/dbraw/zinc/93/38/50/1348933850.db2.gz PPKALFCJSXVCPY-FLIBITNWSA-N -1 3 331.339 2.175 20 30 EEEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc(C(=O)N(C)C)cc1 ZINC001588780736 1348935163 /nfs/dbraw/zinc/93/51/63/1348935163.db2.gz LQXLVCTYLVMPAH-UHFFFAOYSA-N -1 3 349.398 2.405 20 30 EEEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc(C(=O)N(C)C)cc1 ZINC001588780736 1348935164 /nfs/dbraw/zinc/93/51/64/1348935164.db2.gz LQXLVCTYLVMPAH-UHFFFAOYSA-N -1 3 349.398 2.405 20 30 EEEDHM CC(C)CN(CCC#N)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001589619770 1349012274 /nfs/dbraw/zinc/01/22/74/1349012274.db2.gz ODCACVHYNVCDCB-UHFFFAOYSA-N -1 3 326.404 2.198 20 30 EEEDHM CC(C)CN(CCC#N)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001589619770 1349012278 /nfs/dbraw/zinc/01/22/78/1349012278.db2.gz ODCACVHYNVCDCB-UHFFFAOYSA-N -1 3 326.404 2.198 20 30 EEEDHM COC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1C#N 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C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1ccco1 ZINC001121608542 1371907534 /nfs/dbraw/zinc/90/75/34/1371907534.db2.gz UXXZUKVTVKIATB-UHFFFAOYSA-N -1 3 326.360 2.165 20 30 EEEDHM C#CCCC[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000830719407 1372344760 /nfs/dbraw/zinc/34/47/60/1372344760.db2.gz AITUSTYXTPUZCA-UHFFFAOYSA-N -1 3 337.626 2.189 20 30 EEEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cc2n(n1)CCC2 ZINC000835060355 1372583765 /nfs/dbraw/zinc/58/37/65/1372583765.db2.gz KNLGBAATOIHAHU-ZDUSSCGKSA-N -1 3 328.759 2.444 20 30 EEEDHM CC[C@@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H](C)C(=O)OC ZINC000836111794 1372688645 /nfs/dbraw/zinc/68/86/45/1372688645.db2.gz SBQXLPSGQQUGNU-XHDPSFHLSA-N -1 3 348.399 2.339 20 30 EEEDHM N#C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Oc1ccc(F)cc1 ZINC001592667721 1404708417 /nfs/dbraw/zinc/70/84/17/1404708417.db2.gz BBLSDXDDCQMDNA-CYBMUJFWSA-N -1 3 337.314 2.294 20 30 EEEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1ccc(F)cc1 ZINC001592667721 1404708426 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ZINC000735389355 578151619 /nfs/dbraw/zinc/15/16/19/578151619.db2.gz AKOWWYPQIHEJNE-ZDUSSCGKSA-N -1 3 346.394 2.466 20 30 EEEDHM C[C@H](C#N)OC(=O)c1ccc(COc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000735505778 578156592 /nfs/dbraw/zinc/15/65/92/578156592.db2.gz SSXPWBHJTGKMGE-SNVBAGLBSA-N -1 3 339.311 2.108 20 30 EEEDHM C[C@H](C#N)OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735505778 578156593 /nfs/dbraw/zinc/15/65/93/578156593.db2.gz SSXPWBHJTGKMGE-SNVBAGLBSA-N -1 3 339.311 2.108 20 30 EEEDHM CCC[C@H](C#N)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736415627 578202119 /nfs/dbraw/zinc/20/21/19/578202119.db2.gz HNWIRBBVJFUODX-CQSZACIVSA-N -1 3 342.403 2.224 20 30 EEEDHM CCC[C@H](C#N)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736415627 578202120 /nfs/dbraw/zinc/20/21/20/578202120.db2.gz HNWIRBBVJFUODX-CQSZACIVSA-N -1 3 342.403 2.224 20 30 EEEDHM CCOc1ccccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736654962 578216735 /nfs/dbraw/zinc/21/67/35/578216735.db2.gz OFRLZGNFDQBPDN-UHFFFAOYSA-N -1 3 334.339 2.389 20 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CC(C)(C#N)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824059396 607770125 /nfs/dbraw/zinc/77/01/25/607770125.db2.gz SHOIBXHLWQWGKI-UHFFFAOYSA-N -1 3 339.384 2.478 20 30 EEEDHM CC(C)(C#N)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824059396 607770126 /nfs/dbraw/zinc/77/01/26/607770126.db2.gz SHOIBXHLWQWGKI-UHFFFAOYSA-N -1 3 339.384 2.478 20 30 EEEDHM S=C(NN=Cc1cc(-c2nnn[n-]2)cs1)Nc1ccccc1 ZINC000823732408 606205294 /nfs/dbraw/zinc/20/52/94/606205294.db2.gz MDZBLLBIUROISU-UHFFFAOYSA-N -1 3 329.414 2.249 20 30 EEEDHM S=C(NN=Cc1cc(-c2nn[n-]n2)cs1)Nc1ccccc1 ZINC000823732408 606205295 /nfs/dbraw/zinc/20/52/95/606205295.db2.gz MDZBLLBIUROISU-UHFFFAOYSA-N -1 3 329.414 2.249 20 30 EEEDHM CCN(C(=O)c1cc(C#N)cn1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821160527 606222603 /nfs/dbraw/zinc/22/26/03/606222603.db2.gz MDZWWROJDLHGKU-LBPRGKRZSA-N -1 3 349.398 2.300 20 30 EEEDHM CCN(C(=O)c1cc(C#N)cn1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160527 606222605 /nfs/dbraw/zinc/22/26/05/606222605.db2.gz MDZWWROJDLHGKU-LBPRGKRZSA-N -1 3 349.398 2.300 20 30 EEEDHM C#CCN1C(=O)c2ccccc2N[C@H]1c1cc(-c2nnn[n-]2)cs1 ZINC000819701732 606243567 /nfs/dbraw/zinc/24/35/67/606243567.db2.gz LMTAYSZSXBSSOA-OAHLLOKOSA-N -1 3 336.380 2.128 20 30 EEEDHM C#CCN1C(=O)c2ccccc2N[C@H]1c1cc(-c2nn[n-]n2)cs1 ZINC000819701732 606243568 /nfs/dbraw/zinc/24/35/68/606243568.db2.gz LMTAYSZSXBSSOA-OAHLLOKOSA-N -1 3 336.380 2.128 20 30 EEEDHM C=CCN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000819746022 606387115 /nfs/dbraw/zinc/38/71/15/606387115.db2.gz YGCUFLBFNWKSGD-TWGQIWQCSA-N -1 3 335.439 2.315 20 30 EEEDHM C=CCNC(=O)[C@H](C)SCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819751279 606842335 /nfs/dbraw/zinc/84/23/35/606842335.db2.gz SWOGHRLILPHRPL-LBPRGKRZSA-N -1 3 347.444 2.060 20 30 EEEDHM C=CCNC(=O)[C@H](C)SCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819751279 606842336 /nfs/dbraw/zinc/84/23/36/606842336.db2.gz SWOGHRLILPHRPL-LBPRGKRZSA-N -1 3 347.444 2.060 20 30 EEEDHM C=CCC(CC=C)C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000819734523 607004459 /nfs/dbraw/zinc/00/44/59/607004459.db2.gz PSLDLKKXSRCMCI-UHFFFAOYSA-N -1 3 341.371 2.117 20 30 EEEDHM C=CCC(CC=C)C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000819734523 607004461 /nfs/dbraw/zinc/00/44/61/607004461.db2.gz PSLDLKKXSRCMCI-UHFFFAOYSA-N -1 3 341.371 2.117 20 30 EEEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC1(CC#N)CC1 ZINC000820001306 607090390 /nfs/dbraw/zinc/09/03/90/607090390.db2.gz IYBIRIYBBCLXGV-UHFFFAOYSA-N -1 3 341.371 2.261 20 30 EEEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC1(CC#N)CC1 ZINC000820001306 607090392 /nfs/dbraw/zinc/09/03/92/607090392.db2.gz IYBIRIYBBCLXGV-UHFFFAOYSA-N -1 3 341.371 2.261 20 30 EEEDHM N#Cc1cc(F)c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000822819418 607250784 /nfs/dbraw/zinc/25/07/84/607250784.db2.gz SCTNPYONMVFLQP-UHFFFAOYSA-N -1 3 345.240 2.375 20 30 EEEDHM N#Cc1cc(F)c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000822819418 607250785 /nfs/dbraw/zinc/25/07/85/607250785.db2.gz SCTNPYONMVFLQP-UHFFFAOYSA-N -1 3 345.240 2.375 20 30 EEEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H](C)C(C)(C)C#N ZINC000824754716 607807076 /nfs/dbraw/zinc/80/70/76/607807076.db2.gz JREJWGDHBAJLAF-GHMZBOCLSA-N -1 3 329.360 2.115 20 30 EEEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H](C)C(C)(C)C#N ZINC000824754716 607807077 /nfs/dbraw/zinc/80/70/77/607807077.db2.gz JREJWGDHBAJLAF-GHMZBOCLSA-N -1 3 329.360 2.115 20 30 EEEDHM N#Cc1nnc2ccccc2c1N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826387955 607935886 /nfs/dbraw/zinc/93/58/86/607935886.db2.gz BKOXDFWLKXYEHH-UHFFFAOYSA-N -1 3 340.350 2.376 20 30 EEEDHM N#Cc1nnc2ccccc2c1N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826387955 607935887 /nfs/dbraw/zinc/93/58/87/607935887.db2.gz BKOXDFWLKXYEHH-UHFFFAOYSA-N -1 3 340.350 2.376 20 30 EEEDHM CC(Cn1nc(C)cc1C)=NOCc1cccc(-c2nnn[n-]2)c1 ZINC000824465445 608149634 /nfs/dbraw/zinc/14/96/34/608149634.db2.gz PHGNAJCNUASINR-UHFFFAOYSA-N -1 3 325.376 2.273 20 30 EEEDHM CC(Cn1nc(C)cc1C)=NOCc1cccc(-c2nn[n-]n2)c1 ZINC000824465445 608149637 /nfs/dbraw/zinc/14/96/37/608149637.db2.gz PHGNAJCNUASINR-UHFFFAOYSA-N -1 3 325.376 2.273 20 30 EEEDHM C#C[C@@H](OC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C)C1CC1 ZINC000823838980 608454677 /nfs/dbraw/zinc/45/46/77/608454677.db2.gz XQJSCJGFXSIFLZ-ZBFHGGJFSA-N -1 3 340.383 2.225 20 30 EEEDHM C#C[C@@H](OC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C)C1CC1 ZINC000823838980 608454679 /nfs/dbraw/zinc/45/46/79/608454679.db2.gz XQJSCJGFXSIFLZ-ZBFHGGJFSA-N -1 3 340.383 2.225 20 30 EEEDHM CC(=NNC(=S)NCCC(C)C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953730 609275544 /nfs/dbraw/zinc/27/55/44/609275544.db2.gz NMNFRCGOZPKROO-UHFFFAOYSA-N -1 3 349.439 2.240 20 30 EEEDHM CC(=NNC(=S)NCCC(C)C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953730 609275545 /nfs/dbraw/zinc/27/55/45/609275545.db2.gz NMNFRCGOZPKROO-UHFFFAOYSA-N -1 3 349.439 2.240 20 30 EEEDHM Cc1nc(C)c(CCC(=O)O[C@H](C)c2ccc(C#N)cc2)c(=O)[n-]1 ZINC000175791466 675609685 /nfs/dbraw/zinc/60/96/85/675609685.db2.gz VPOONFAMUDKYSL-GFCCVEGCSA-N -1 3 325.368 2.495 20 30 EEEDHM C=CC(C)(C)NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O 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2.266 20 30 EEEDHM C=CCN(CC(=O)[O-])C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000909515060 684494807 /nfs/dbraw/zinc/49/48/07/684494807.db2.gz OGLBBSLJLJTKPD-INIZCTEOSA-N -1 3 344.455 2.429 20 30 EEEDHM CCCCN([O-])C(=O)[C@H](CCSC)NC(=O)Cc1ccccc1 ZINC000904210615 694323140 /nfs/dbraw/zinc/32/31/40/694323140.db2.gz URKLHFZLSSRCKE-HNNXBMFYSA-N -1 3 338.473 2.485 20 30 EEEDHM C=C(Cl)CN1CC[C@@H]1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001038479972 691686214 /nfs/dbraw/zinc/68/62/14/691686214.db2.gz SZDCMSCNLKSWME-GFCCVEGCSA-N -1 3 331.803 2.085 20 30 EEEDHM N#CCCCN1C[C@]2(CC1=O)CCCCN2C(=O)c1ccccc1[O-] ZINC001269682550 1184514153 /nfs/dbraw/zinc/51/41/53/1184514153.db2.gz IKQCXRMHVJOFJN-LJQANCHMSA-N -1 3 341.411 2.293 20 30 EEEDHM C=CCN1CC[C@@]2(CCCN(C(=O)c3ccc(O)cc3[O-])CC2)C1=O ZINC001269955072 1184742410 /nfs/dbraw/zinc/74/24/10/1184742410.db2.gz YERQSKZZBBNRQI-IBGZPJMESA-N -1 3 344.411 2.129 20 30 EEEDHM C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])NCc1ccccc1C#N ZINC001134190727 1199382120 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349.354 2.151 20 30 EEEDHM C#CCN(c1ccc(-c2nnn[n-]2)c(Br)c1F)C1CC1 ZINC001588351986 1348895186 /nfs/dbraw/zinc/89/51/86/1348895186.db2.gz QLRUQWNBOGNFGV-UHFFFAOYSA-N -1 3 336.168 2.370 20 30 EEEDHM C#CCN(c1ccc(-c2nn[n-]n2)c(Br)c1F)C1CC1 ZINC001588351986 1348895190 /nfs/dbraw/zinc/89/51/90/1348895190.db2.gz QLRUQWNBOGNFGV-UHFFFAOYSA-N -1 3 336.168 2.370 20 30 EEEDHM C(=NNC[C@H]1CCSC1)c1c[nH]c2cccc(-c3nnn[n-]3)c12 ZINC001588381671 1348898616 /nfs/dbraw/zinc/89/86/16/1348898616.db2.gz OKZGZLBBHHGPMP-SNVBAGLBSA-N -1 3 327.417 2.025 20 30 EEEDHM C(=NNC[C@H]1CCSC1)c1c[nH]c2cccc(-c3nn[n-]n3)c12 ZINC001588381671 1348898622 /nfs/dbraw/zinc/89/86/22/1348898622.db2.gz OKZGZLBBHHGPMP-SNVBAGLBSA-N -1 3 327.417 2.025 20 30 EEEDHM C=C(C)C(C)(C)C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001588402610 1348900983 /nfs/dbraw/zinc/90/09/83/1348900983.db2.gz IYVRGWPVEICNTF-NSHDSACASA-N -1 3 343.387 2.339 20 30 EEEDHM C=C(C)C(C)(C)C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001588402610 1348900985 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C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@]1(C)CC1(F)F ZINC001588639947 1348926104 /nfs/dbraw/zinc/92/61/04/1348926104.db2.gz XQURYYXVLKDSGI-OAHLLOKOSA-N -1 3 333.342 2.427 20 30 EEEDHM C=CCN(Cc1cnc(CC)nc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588653699 1348927167 /nfs/dbraw/zinc/92/71/67/1348927167.db2.gz VCWAKBZTVHKTQM-UHFFFAOYSA-N -1 3 335.415 2.407 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C#N)[nH]c1C ZINC001588649525 1348927619 /nfs/dbraw/zinc/92/76/19/1348927619.db2.gz RGHMGLBAALASFH-UHFFFAOYSA-N -1 3 347.382 2.203 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C#N)[nH]c1C ZINC001588649525 1348927621 /nfs/dbraw/zinc/92/76/21/1348927621.db2.gz RGHMGLBAALASFH-UHFFFAOYSA-N -1 3 347.382 2.203 20 30 EEEDHM C=CCn1c(Sc2cc(C)c(-c3nnn[n-]3)cn2)nnc1C1CC1 ZINC001588711948 1348930093 /nfs/dbraw/zinc/93/00/93/1348930093.db2.gz YWUODYUKXHJLPH-UHFFFAOYSA-N -1 3 340.416 2.376 20 30 EEEDHM C=CCn1c(Sc2cc(C)c(-c3nn[n-]n3)cn2)nnc1C1CC1 ZINC001588711948 1348930097 /nfs/dbraw/zinc/93/00/97/1348930097.db2.gz YWUODYUKXHJLPH-UHFFFAOYSA-N -1 3 340.416 2.376 20 30 EEEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccnc(C#N)n1 ZINC001589625920 1349012288 /nfs/dbraw/zinc/01/22/88/1349012288.db2.gz KZMXMCPFSKMAHE-UHFFFAOYSA-N -1 3 334.387 2.191 20 30 EEEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccnc(C#N)n1 ZINC001589625920 1349012294 /nfs/dbraw/zinc/01/22/94/1349012294.db2.gz KZMXMCPFSKMAHE-UHFFFAOYSA-N -1 3 334.387 2.191 20 30 EEEDHM CC1(C)CCC[C@H](CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)O1 ZINC001590093354 1349150357 /nfs/dbraw/zinc/15/03/57/1349150357.db2.gz ICEMTCQUBRQECG-SNVBAGLBSA-N -1 3 345.432 2.155 20 30 EEEDHM CC1(C)CCC[C@H](CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)O1 ZINC001590093354 1349150362 /nfs/dbraw/zinc/15/03/62/1349150362.db2.gz ICEMTCQUBRQECG-SNVBAGLBSA-N -1 3 345.432 2.155 20 30 EEEDHM CCC(C#N)(CC)C(=O)Nc1cc(OC)c(-c2nnn[n-]2)cc1F ZINC001590367120 1349287100 /nfs/dbraw/zinc/28/71/00/1349287100.db2.gz CDVGUFSSWMYXME-UHFFFAOYSA-N -1 3 332.339 2.283 20 30 EEEDHM CCC(C#N)(CC)C(=O)Nc1cc(OC)c(-c2nn[n-]n2)cc1F ZINC001590367120 1349287106 /nfs/dbraw/zinc/28/71/06/1349287106.db2.gz CDVGUFSSWMYXME-UHFFFAOYSA-N -1 3 332.339 2.283 20 30 EEEDHM Cc1nn(-c2ccccc2)c(CN2CC[C@@](C)(C#N)C2)c1-c1nnn[n-]1 ZINC001592426287 1349629441 /nfs/dbraw/zinc/62/94/41/1349629441.db2.gz MQZHVKMHAGHLAC-SFHVURJKSA-N -1 3 348.414 2.096 20 30 EEEDHM N#C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC001592672455 1349703754 /nfs/dbraw/zinc/70/37/54/1349703754.db2.gz IVQVNKWNCOOVDK-VIFPVBQESA-N -1 3 333.193 2.369 20 30 EEEDHM N#Cc1cc(NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)ccc1F ZINC001592689810 1349706715 /nfs/dbraw/zinc/70/67/15/1349706715.db2.gz CFBDNUWESAQFMU-UHFFFAOYSA-N -1 3 326.266 2.269 20 30 EEEDHM N#Cc1cc(NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)ccc1F ZINC001592689810 1349706719 /nfs/dbraw/zinc/70/67/19/1349706719.db2.gz CFBDNUWESAQFMU-UHFFFAOYSA-N -1 3 326.266 2.269 20 30 EEEDHM O=C1C(=Cc2ccc3c(c2)OCCO3)Cc2ccc(-c3nnn[n-]3)cc21 ZINC001593379263 1349794907 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EEEDHM C=CCCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001602824895 1350591527 /nfs/dbraw/zinc/59/15/27/1350591527.db2.gz QVMDNDDBVBKPLQ-OCCSQVGLSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001602824895 1350591531 /nfs/dbraw/zinc/59/15/31/1350591531.db2.gz QVMDNDDBVBKPLQ-OCCSQVGLSA-N -1 3 341.419 2.019 20 30 EEEDHM CN(C)c1ccc(-c2nn[n-]n2)cc1C=NOCCC(F)(F)F ZINC001604696345 1350986656 /nfs/dbraw/zinc/98/66/56/1350986656.db2.gz DHWIIEMYSYCNHU-UHFFFAOYSA-N -1 3 328.298 2.236 20 30 EEEDHM COC(=O)CC1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001604934181 1351034772 /nfs/dbraw/zinc/03/47/72/1351034772.db2.gz QIUUFPOBNIMNDR-UHFFFAOYSA-N -1 3 342.403 2.066 20 30 EEEDHM COC(=O)CC1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001604934181 1351034774 /nfs/dbraw/zinc/03/47/74/1351034774.db2.gz QIUUFPOBNIMNDR-UHFFFAOYSA-N -1 3 342.403 2.066 20 30 EEEDHM COc1cc(C(=O)O[C@@H](C)CC(C)(C)C#N)ccc1-c1nnn[n-]1 ZINC001605200773 1351101906 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FC(F)(F)c1cc(-c2nn[n-]n2)ccc1C=NN[C@@H]1CCSC1 ZINC001606291080 1351289508 /nfs/dbraw/zinc/28/95/08/1351289508.db2.gz XJRNCGSCEMCTJJ-SNVBAGLBSA-N -1 3 342.350 2.315 20 30 EEEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CCC=CCC1 ZINC001606337038 1351294709 /nfs/dbraw/zinc/29/47/09/1351294709.db2.gz CHMKGPNAECFUDG-OAHLLOKOSA-N -1 3 336.399 2.164 20 30 EEEDHM N#Cc1ccc(C(=O)N2CCCc3cc(-c4nnn[n-]4)ccc32)c(F)c1 ZINC001606363235 1351297424 /nfs/dbraw/zinc/29/74/24/1351297424.db2.gz CZDMETIPHWZMPN-UHFFFAOYSA-N -1 3 348.341 2.470 20 30 EEEDHM N#Cc1ccc(C(=O)N2CCCc3cc(-c4nn[n-]n4)ccc32)c(F)c1 ZINC001606363235 1351297427 /nfs/dbraw/zinc/29/74/27/1351297427.db2.gz CZDMETIPHWZMPN-UHFFFAOYSA-N -1 3 348.341 2.470 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC001606379588 1351298864 /nfs/dbraw/zinc/29/88/64/1351298864.db2.gz FQNYKVZZRZIGAM-GDBMZVCRSA-N -1 3 347.382 2.466 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC001606379588 1351298868 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CN(C(=O)c1ccccc1[O-])[C@@H](CNc1ccc(C#N)nn1)C1CC1 ZINC001115472056 1371635471 /nfs/dbraw/zinc/63/54/71/1371635471.db2.gz LLPQSHCWDQHDMM-HNNXBMFYSA-N -1 3 337.383 2.017 20 30 EEEDHM C=CCn1c(=O)[n-]nc1SC[C@@H](O)c1cc(OC)ccc1OC ZINC000848432386 1373149528 /nfs/dbraw/zinc/14/95/28/1373149528.db2.gz BRAJAAAQBITWRD-GFCCVEGCSA-N -1 3 337.401 2.013 20 30 EEEDHM C[C@@H](NC(=O)Nc1cccc(C#N)n1)c1cccc(-c2nnn[n-]2)c1 ZINC001575304089 1403545004 /nfs/dbraw/zinc/54/50/04/1403545004.db2.gz RGADEYLNSIGTLF-SNVBAGLBSA-N -1 3 334.343 2.016 20 30 EEEDHM C[C@@H](NC(=O)Nc1cccc(C#N)n1)c1cccc(-c2nn[n-]n2)c1 ZINC001575304089 1403545008 /nfs/dbraw/zinc/54/50/08/1403545008.db2.gz RGADEYLNSIGTLF-SNVBAGLBSA-N -1 3 334.343 2.016 20 30 EEEDHM COc1cc(C#N)ccc1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001579888746 1403791771 /nfs/dbraw/zinc/79/17/71/1403791771.db2.gz MZVOAHZDQIELII-UHFFFAOYSA-N -1 3 348.366 2.019 20 30 EEEDHM COc1cc(C#N)ccc1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001579888746 1403791775 /nfs/dbraw/zinc/79/17/75/1403791775.db2.gz MZVOAHZDQIELII-UHFFFAOYSA-N -1 3 348.366 2.019 20 30 EEEDHM COc1ccc(COc2ccc(C#N)c(OC)c2)cc1-c1nnn[n-]1 ZINC001591552978 1403928625 /nfs/dbraw/zinc/92/86/25/1403928625.db2.gz OHPMZUHOYYEKJB-UHFFFAOYSA-N -1 3 337.339 2.335 20 30 EEEDHM COc1ccc(COc2ccc(C#N)c(OC)c2)cc1-c1nn[n-]n1 ZINC001591552978 1403928637 /nfs/dbraw/zinc/92/86/37/1403928637.db2.gz OHPMZUHOYYEKJB-UHFFFAOYSA-N -1 3 337.339 2.335 20 30 EEEDHM Cc1ccc(C)c2c1NC(=O)C2=NNc1ccc(-c2nn[n-]n2)cc1 ZINC001592139989 1404006094 /nfs/dbraw/zinc/00/60/94/1404006094.db2.gz BUQAJPIOGJVXTG-UHFFFAOYSA-N -1 3 333.355 2.252 20 30 EEEDHM Cc1nsc(C)c1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001592467299 1404696927 /nfs/dbraw/zinc/69/69/27/1404696927.db2.gz LFVNOAFLEGXBDR-UHFFFAOYSA-N -1 3 325.357 2.064 20 30 EEEDHM Cc1nsc(C)c1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001592467299 1404696944 /nfs/dbraw/zinc/69/69/44/1404696944.db2.gz LFVNOAFLEGXBDR-UHFFFAOYSA-N -1 3 325.357 2.064 20 30 EEEDHM N#CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001592673568 1404709582 /nfs/dbraw/zinc/70/95/82/1404709582.db2.gz HCCRQZJVKZSDBN-SNVBAGLBSA-N -1 3 329.339 2.163 20 30 EEEDHM N#CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001592673568 1404709588 /nfs/dbraw/zinc/70/95/88/1404709588.db2.gz HCCRQZJVKZSDBN-SNVBAGLBSA-N -1 3 329.339 2.163 20 30 EEEDHM N#C[C@]1(C(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)CC12CCCC2 ZINC001592669337 1404709951 /nfs/dbraw/zinc/70/99/51/1404709951.db2.gz OUGAKYLGFIYSHH-SFHVURJKSA-N -1 3 334.383 2.183 20 30 EEEDHM N#C[C@]1(C(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)CC12CCCC2 ZINC001592669337 1404709955 /nfs/dbraw/zinc/70/99/55/1404709955.db2.gz OUGAKYLGFIYSHH-SFHVURJKSA-N -1 3 334.383 2.183 20 30 EEEDHM N#CC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)ccc1Cl)C(F)(F)F ZINC001592674221 1404711732 /nfs/dbraw/zinc/71/17/32/1404711732.db2.gz BAHIBAPGCMGSME-SECBINFHSA-N -1 3 344.684 2.094 20 30 EEEDHM N#CC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)ccc1Cl)C(F)(F)F ZINC001592674221 1404711738 /nfs/dbraw/zinc/71/17/38/1404711738.db2.gz BAHIBAPGCMGSME-SECBINFHSA-N -1 3 344.684 2.094 20 30 EEEDHM N#Cc1ccc(F)c(COC(=O)c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001592693461 1404715674 /nfs/dbraw/zinc/71/56/74/1404715674.db2.gz FDPAWLIMSHQNSM-UHFFFAOYSA-N -1 3 341.277 2.374 20 30 EEEDHM N#Cc1ccc(F)c(COC(=O)c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001592693461 1404715680 /nfs/dbraw/zinc/71/56/80/1404715680.db2.gz FDPAWLIMSHQNSM-UHFFFAOYSA-N -1 3 341.277 2.374 20 30 EEEDHM C=C(C)CCC(=O)NC1(CNC(=O)c2cccc3n[n-]nc32)CCC1 ZINC001063153911 790274851 /nfs/dbraw/zinc/27/48/51/790274851.db2.gz QNFKFJOJXYYQIO-UHFFFAOYSA-N -1 3 341.415 2.083 20 30 EEEDHM N#Cc1cnccc1N1CCCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001063164065 790286611 /nfs/dbraw/zinc/28/66/11/790286611.db2.gz RBVZRUMIZNRDIG-HNNXBMFYSA-N -1 3 336.395 2.448 20 30 EEEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CC[C@H]3OCC[C@H]3C2)n1 ZINC001167213529 757507825 /nfs/dbraw/zinc/50/78/25/757507825.db2.gz IFDSNQYKEUDJBV-ZMDRJLFXSA-N -1 3 328.825 2.275 20 30 EEEDHM CC(=O)Nc1cccc(C(C)=N[N-]S(=O)(=O)Cc2ccccc2)c1 ZINC000920382871 770689442 /nfs/dbraw/zinc/68/94/42/770689442.db2.gz BMKLZMRFJKPYMN-UHFFFAOYSA-N -1 3 345.424 2.489 20 30 EEEDHM C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3[nH]nc(C)c3[O-])C[C@@H]2C1 ZINC000979657437 770785684 /nfs/dbraw/zinc/78/56/84/770785684.db2.gz KLZZYQYCJZTWOY-YNEHKIRRSA-N -1 3 338.839 2.007 20 30 EEEDHM C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc3oc(=O)nc-3[n-]1)CC2 ZINC001035833785 785251834 /nfs/dbraw/zinc/25/18/34/785251834.db2.gz CLWCKUXRKJSWGX-UHFFFAOYSA-N -1 3 342.399 2.043 20 30 EEEDHM C=CC[C@H](C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccccc1 ZINC000910178942 786512361 /nfs/dbraw/zinc/51/23/61/786512361.db2.gz RXRHYBJVRNOPTK-INIZCTEOSA-N -1 3 330.428 2.354 20 30 EEEDHM CON=Cc1ccc(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000824154527 788066635 /nfs/dbraw/zinc/06/66/35/788066635.db2.gz PLIMZDHMWIAYNB-UHFFFAOYSA-N -1 3 328.372 2.136 20 30 EEEDHM CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001143714653 788765241 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Cc1noc([N-]C(=O)[C@@]2(F)C[C@@H]2C(=O)OCc2ccccc2)c1C#N ZINC001178866145 799662044 /nfs/dbraw/zinc/66/20/44/799662044.db2.gz NQLZKLBDBRKRTR-CXAGYDPISA-N -1 3 343.314 2.265 20 30 EEEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@H](C)CC(C)=O)c(C)c1[O-] ZINC001181253470 800716734 /nfs/dbraw/zinc/71/67/34/800716734.db2.gz ACXPGXQYAOKESC-SECBINFHSA-N -1 3 332.356 2.303 20 30 EEEDHM C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001085923635 801670354 /nfs/dbraw/zinc/67/03/54/801670354.db2.gz CFTWGCFLGUGPSC-GFCCVEGCSA-N -1 3 330.388 2.041 20 30 EEEDHM N#Cc1cc(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)ccc1[O-] ZINC001184897626 802234488 /nfs/dbraw/zinc/23/44/88/802234488.db2.gz RQRKRGPTNALVKI-JTQLQIEISA-N -1 3 327.306 2.477 20 30 EEEDHM Cc1ccc(-c2cc(C(=O)OCCOC3(C#N)CCOCC3)n[n-]2)o1 ZINC000809080235 812975535 /nfs/dbraw/zinc/97/55/35/812975535.db2.gz LSYAYJTXMFJHAV-UHFFFAOYSA-N -1 3 345.355 2.224 20 30 EEEDHM Cc1ccc(-c2cc(C(=O)OCCOC3(C#N)CCOCC3)[n-]n2)o1 ZINC000809080235 812975546 /nfs/dbraw/zinc/97/55/46/812975546.db2.gz LSYAYJTXMFJHAV-UHFFFAOYSA-N -1 3 345.355 2.224 20 30 EEEDHM C=CCNC(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823925533 946519165 /nfs/dbraw/zinc/51/91/65/946519165.db2.gz LLKQIIMABJDRTG-UHFFFAOYSA-N -1 3 343.334 2.280 20 30 EEEDHM C=CCNC(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823925533 946519176 /nfs/dbraw/zinc/51/91/76/946519176.db2.gz LLKQIIMABJDRTG-UHFFFAOYSA-N -1 3 343.334 2.280 20 30 EEEDHM Cc1ccc(C#N)cc1C(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001570931377 948841284 /nfs/dbraw/zinc/84/12/84/948841284.db2.gz WDXQTNCPECHQIU-UHFFFAOYSA-N -1 3 332.367 2.019 20 30 EEEDHM Cc1ccc(C#N)cc1C(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001570931377 948841300 /nfs/dbraw/zinc/84/13/00/948841300.db2.gz WDXQTNCPECHQIU-UHFFFAOYSA-N -1 3 332.367 2.019 20 30 EEEDHM CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001570934608 948945795 /nfs/dbraw/zinc/94/57/95/948945795.db2.gz LUROZTTXLTTZNF-UHFFFAOYSA-N -1 3 336.330 2.150 20 30 EEEDHM 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NBXWDCNUZYSMQO-LLVKDONJSA-N -1 3 331.821 2.273 20 30 EEEDHM C=CCN1CC2(CCC1=O)CCN(C(=O)c1c([O-])cccc1O)CC2 ZINC001269954586 1184741352 /nfs/dbraw/zinc/74/13/52/1184741352.db2.gz MLMPDSUJTCJDFL-UHFFFAOYSA-N -1 3 344.411 2.129 20 30 EEEDHM C#CCNC(=O)[C@@H]1CC12CCN(Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001272784592 1193497006 /nfs/dbraw/zinc/49/70/06/1193497006.db2.gz WHLGUNAQFQXULV-ZDUSSCGKSA-N -1 3 334.366 2.022 20 30 EEEDHM C[C@@H](CCNC(=O)CC(F)(F)C(F)(F)F)[N-]C(=O)C(C)(F)F ZINC001077207335 1189393061 /nfs/dbraw/zinc/39/30/61/1189393061.db2.gz YLFDOERFFHZIQK-LURJTMIESA-N -1 3 340.239 2.240 20 30 EEEDHM C#CCN1CC[C@]2(CCCN(Cc3ccc(C(=O)[O-])cc3)CC2)C1=O ZINC001272970027 1194278863 /nfs/dbraw/zinc/27/88/63/1194278863.db2.gz YKZQDWWSSQHURP-HXUWFJFHSA-N -1 3 340.423 2.223 20 30 EEEDHM C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1nnc2ccccc2c1[O-] ZINC001018015243 1224215136 /nfs/dbraw/zinc/21/51/36/1224215136.db2.gz TZDSCNXXGRSXKD-OKILXGFUSA-N -1 3 338.411 2.200 20 30 EEEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ncn(C)n2)cc1 ZINC000810532676 1199573114 /nfs/dbraw/zinc/57/31/14/1199573114.db2.gz VRHOKVBVVPYASW-CQSZACIVSA-N -1 3 325.372 2.119 20 30 EEEDHM COc1cc(C#N)ccc1OCCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000811184290 1199916111 /nfs/dbraw/zinc/91/61/11/1199916111.db2.gz LTGANCQLMFPOED-UHFFFAOYSA-N -1 3 338.319 2.380 20 30 EEEDHM COc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811186824 1199917030 /nfs/dbraw/zinc/91/70/30/1199917030.db2.gz ZWZZONZEDIFOQO-NSHDSACASA-N -1 3 340.335 2.456 20 30 EEEDHM O=C(Nc1ccc2c3c(cccc31)CC2)N[C@@H]1CCCN([O-])C1=O ZINC000878104297 1200261034 /nfs/dbraw/zinc/26/10/34/1200261034.db2.gz TUFLLRNAVFLDAD-OAHLLOKOSA-N -1 3 325.368 2.440 20 30 EEEDHM CC(C)Oc1cc(F)ccc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000879132031 1200881521 /nfs/dbraw/zinc/88/15/21/1200881521.db2.gz KBPZPDFOPFXHRV-LBPRGKRZSA-N -1 3 325.340 2.115 20 30 EEEDHM O=C(Nc1ccc(Cl)c(OC(F)F)c1)N[C@H]1CCCN([O-])C1=O ZINC000879135937 1200882111 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C[C@H]1CC[C@H](NC(=O)c2ccccc2[O-])CN1c1ccc(C#N)cn1 ZINC001039690539 1230742422 /nfs/dbraw/zinc/74/24/22/1230742422.db2.gz SMOMVSJAZSYYGI-ZFWWWQNUSA-N -1 3 336.395 2.446 20 30 EEEDHM O=C([C@@H]1CC(=O)N(Cc2ccco2)C1)N([O-])Cc1ccc(F)cc1 ZINC000901375555 1235634741 /nfs/dbraw/zinc/63/47/41/1235634741.db2.gz GVXQFUMMASUEGB-CYBMUJFWSA-N -1 3 332.331 2.185 20 30 EEEDHM Cc1nc(N2CCCN(C(=O)c3ccccc3[O-])CC2)ccc1C#N ZINC001057087688 1241692038 /nfs/dbraw/zinc/69/20/38/1241692038.db2.gz WHARGBLULJLCCR-UHFFFAOYSA-N -1 3 336.395 2.320 20 30 EEEDHM N#Cc1cnc(N[C@@H](CNC(=O)c2ccccc2[O-])C2CC2)c(F)c1 ZINC001096581685 1242465091 /nfs/dbraw/zinc/46/50/91/1242465091.db2.gz NNOJXWRHUSAETD-HNNXBMFYSA-N -1 3 340.358 2.418 20 30 EEEDHM Cc1nsc(N2CCC(NC(=O)c3ccccc3[O-])CC2)c1C#N ZINC001057836336 1247953323 /nfs/dbraw/zinc/95/33/23/1247953323.db2.gz WNHNSXZBPLYFFB-UHFFFAOYSA-N -1 3 342.424 2.428 20 30 EEEDHM Cc1cc(NC2CC(N(C)C(=O)c3ccccc3[O-])C2)c(C#N)cn1 ZINC001069701330 1253153982 /nfs/dbraw/zinc/15/39/82/1253153982.db2.gz WVYNDWDMZWUNMA-UHFFFAOYSA-N -1 3 336.395 2.104 20 30 EEEDHM C=CCCc1ccc(C(=O)Nc2cc(C(=O)OCC)n[n-]2)c(=O)[nH]1 ZINC001185344053 1278599327 /nfs/dbraw/zinc/59/93/27/1278599327.db2.gz FOPGACRKLKYTSY-UHFFFAOYSA-N -1 3 330.344 2.058 20 30 EEEDHM C=CCCc1ccc(C(=O)Nc2cc(C(=O)OCC)[n-]n2)c(=O)[nH]1 ZINC001185344053 1278599332 /nfs/dbraw/zinc/59/93/32/1278599332.db2.gz FOPGACRKLKYTSY-UHFFFAOYSA-N -1 3 330.344 2.058 20 30 EEEDHM COc1cccc(OC)c1NC(=O)C(=O)[N-]c1occ(C)c1C#N ZINC001187475932 1279556226 /nfs/dbraw/zinc/55/62/26/1279556226.db2.gz OKPUIIIUFQPDLB-UHFFFAOYSA-N -1 3 329.312 2.054 20 30 EEEDHM C#Cc1cnc(NC(=O)c2cccc(OC(F)(F)F)c2[O-])c(C#C)n1 ZINC001189748878 1280477464 /nfs/dbraw/zinc/47/74/64/1280477464.db2.gz OPSUKXBNVIMASF-UHFFFAOYSA-N -1 3 347.252 2.296 20 30 EEEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ncccc2Cl)c1 ZINC001190661517 1280980716 /nfs/dbraw/zinc/98/07/16/1280980716.db2.gz WWLBOMGYIWNLMU-UHFFFAOYSA-N -1 3 325.752 2.224 20 30 EEEDHM COc1cc(Br)c([N-]S(=O)(=O)[C@H](C)C#N)cc1F ZINC001193148889 1282355331 /nfs/dbraw/zinc/35/53/31/1282355331.db2.gz GRQFDAZCIYRTJS-ZCFIWIBFSA-N -1 3 337.170 2.251 20 30 EEEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ncc(C)cn2)c(C)c1[O-] ZINC001194073166 1282875537 /nfs/dbraw/zinc/87/55/37/1282875537.db2.gz NGAGCPNHQUDIHY-UHFFFAOYSA-N -1 3 340.339 2.100 20 30 EEEDHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(O)cc2)cc1C#N ZINC001195796935 1283748393 /nfs/dbraw/zinc/74/83/93/1283748393.db2.gz SUOIIWKKSBGDHX-UHFFFAOYSA-N -1 3 331.353 2.023 20 30 EEEDHM CC(=O)Nc1ccc(NS(=O)(=O)c2ccc([O-])cc2)cc1C#N ZINC001195796935 1283748406 /nfs/dbraw/zinc/74/84/06/1283748406.db2.gz SUOIIWKKSBGDHX-UHFFFAOYSA-N -1 3 331.353 2.023 20 30 EEEDHM CCn1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)c(C)n1 ZINC000860474238 1294980219 /nfs/dbraw/zinc/98/02/19/1294980219.db2.gz XCAUTEUZMAEHQG-LBPRGKRZSA-N -1 3 326.356 2.181 20 30 EEEDHM O=S(=O)(CCc1ccccc1)NN=Cc1c(F)ccc([O-])c1F ZINC000794516088 1296267511 /nfs/dbraw/zinc/26/75/11/1296267511.db2.gz PQHGYNBGILOTKS-UHFFFAOYSA-N -1 3 340.351 2.166 20 30 EEEDHM C[C@H](CCCNc1ccc(C#N)nc1)NC(=O)c1cccc2n[n-]nc21 ZINC001115001741 1304594106 /nfs/dbraw/zinc/59/41/06/1304594106.db2.gz FHLFZRSOWOTCCN-GFCCVEGCSA-N -1 3 349.398 2.235 20 30 EEEDHM CCOC(=O)N1CCC[C@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)C1 ZINC001234510904 1304947966 /nfs/dbraw/zinc/94/79/66/1304947966.db2.gz HNUOLMCHFFDRDE-LBPRGKRZSA-N -1 3 342.355 2.207 20 30 EEEDHM N#C[C@H](Oc1[n-]c(=O)nc2ccc(C(N)=O)cc21)c1ccccc1F ZINC001234515493 1304948506 /nfs/dbraw/zinc/94/85/06/1304948506.db2.gz IGBGKGFCHCDPPE-AWEZNQCLSA-N -1 3 338.298 2.217 20 30 EEEDHM COc1cc(CN2CCC([N-]C(=O)C(F)(F)F)CC2)ccc1C#N ZINC001238409946 1308857302 /nfs/dbraw/zinc/85/73/02/1308857302.db2.gz SKMHMXKWKOXNJX-UHFFFAOYSA-N -1 3 341.333 2.210 20 30 EEEDHM COC(=O)CNC(=O)c1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001245115864 1310029417 /nfs/dbraw/zinc/02/94/17/1310029417.db2.gz SAFVQSPKVKVQMA-AWQFTUOYSA-N -1 3 330.315 2.204 20 30 EEEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC 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3 328.355 2.094 20 30 EEEDHM C=CCCn1cc(CNc2cc(-c3nn[n-]n3)c(F)cc2C)nn1 ZINC001602847332 1350595031 /nfs/dbraw/zinc/59/50/31/1350595031.db2.gz QEMVRKLRUHGJDM-UHFFFAOYSA-N -1 3 328.355 2.094 20 30 EEEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC001310292997 1331677087 /nfs/dbraw/zinc/67/70/87/1331677087.db2.gz MBKGYHRCPOMQTR-WCQYABFASA-N -1 3 348.428 2.440 20 30 EEEDHM C=CCC(C)(C)CNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609052473 1351824970 /nfs/dbraw/zinc/82/49/70/1351824970.db2.gz DJBVCYWZVTYYNI-OAHLLOKOSA-N -1 3 338.415 2.267 20 30 EEEDHM C=C[C@](C)(CCOC)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC001609051925 1351824505 /nfs/dbraw/zinc/82/45/05/1351824505.db2.gz BPQMMERMGHDUTN-MRXNPFEDSA-N -1 3 334.351 2.278 20 30 EEEDHM C=C[C@](C)(CCOC)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC001609051925 1351824510 /nfs/dbraw/zinc/82/45/10/1351824510.db2.gz BPQMMERMGHDUTN-MRXNPFEDSA-N -1 3 334.351 2.278 20 30 EEEDHM C=CCCC[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609053275 1351825721 /nfs/dbraw/zinc/82/57/21/1351825721.db2.gz FGCCJPYMXKZPDM-JTQLQIEISA-N -1 3 339.396 2.029 20 30 EEEDHM CC(=NNCc1ccccc1N(C)C)c1ccccc1-c1nnn[n-]1 ZINC001609061170 1351827444 /nfs/dbraw/zinc/82/74/44/1351827444.db2.gz JFKQLAWEUNCQRB-UHFFFAOYSA-N -1 3 335.415 2.447 20 30 EEEDHM CC(=NNCc1ccccc1N(C)C)c1ccccc1-c1nn[n-]n1 ZINC001609061170 1351827448 /nfs/dbraw/zinc/82/74/48/1351827448.db2.gz JFKQLAWEUNCQRB-UHFFFAOYSA-N -1 3 335.415 2.447 20 30 EEEDHM C#CC[C@H](NCc1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)[O-] ZINC001609089251 1351837172 /nfs/dbraw/zinc/83/71/72/1351837172.db2.gz JHHSFTHVGUEZDX-CABCVRRESA-N -1 3 337.803 2.464 20 30 EEEDHM C#CC[C@H](NCc1c(C)nn(Cc2ccccc2)c1Cl)C(=O)[O-] ZINC001609090081 1351838154 /nfs/dbraw/zinc/83/81/54/1351838154.db2.gz ZDCHAABWVQLAOP-HNNXBMFYSA-N -1 3 331.803 2.459 20 30 EEEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 ZINC001609136741 1351856862 /nfs/dbraw/zinc/85/68/62/1351856862.db2.gz RXUSGVYBNMYJPB-YNEHKIRRSA-N -1 3 341.371 2.260 20 30 EEEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 ZINC001609136741 1351856864 /nfs/dbraw/zinc/85/68/64/1351856864.db2.gz RXUSGVYBNMYJPB-YNEHKIRRSA-N -1 3 341.371 2.260 20 30 EEEDHM CC1(C#N)CCN(c2ncc(Br)cc2-c2nnn[n-]2)CC1 ZINC001609142420 1351859498 /nfs/dbraw/zinc/85/94/98/1351859498.db2.gz YLPCTUQIFNLCEW-UHFFFAOYSA-N -1 3 348.208 2.154 20 30 EEEDHM CC1(C#N)CCN(c2ncc(Br)cc2-c2nn[n-]n2)CC1 ZINC001609142420 1351859506 /nfs/dbraw/zinc/85/95/06/1351859506.db2.gz YLPCTUQIFNLCEW-UHFFFAOYSA-N -1 3 348.208 2.154 20 30 EEEDHM COCC[C@H](Cc1ccco1)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609321614 1351932685 /nfs/dbraw/zinc/93/26/85/1351932685.db2.gz JEQOLLCHKSTYAG-CYBMUJFWSA-N -1 3 338.371 2.391 20 30 EEEDHM COCC[C@H](Cc1ccco1)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609321614 1351932687 /nfs/dbraw/zinc/93/26/87/1351932687.db2.gz JEQOLLCHKSTYAG-CYBMUJFWSA-N -1 3 338.371 2.391 20 30 EEEDHM COc1c(O)cccc1C=C1CCc2cc(-c3nnn[n-]3)cnc2C1=O ZINC001609333181 1351935933 /nfs/dbraw/zinc/93/59/33/1351935933.db2.gz QBUHYUIOFLFOAQ-DHZHZOJOSA-N -1 3 349.350 2.188 20 30 EEEDHM COc1c(O)cccc1C=C1CCc2cc(-c3nn[n-]n3)cnc2C1=O ZINC001609333181 1351935937 /nfs/dbraw/zinc/93/59/37/1351935937.db2.gz QBUHYUIOFLFOAQ-DHZHZOJOSA-N -1 3 349.350 2.188 20 30 EEEDHM Cc1nc(-c2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)ccc1C#N ZINC001609445399 1351980619 /nfs/dbraw/zinc/98/06/19/1351980619.db2.gz FJXJRBQMBKSOTI-UHFFFAOYSA-N -1 3 330.311 2.159 20 30 EEEDHM Cc1nc(-c2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)ccc1C#N ZINC001609445399 1351980621 /nfs/dbraw/zinc/98/06/21/1351980621.db2.gz FJXJRBQMBKSOTI-UHFFFAOYSA-N -1 3 330.311 2.159 20 30 EEEDHM Cn1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c(C(F)F)n1 ZINC001609478659 1351992664 /nfs/dbraw/zinc/99/26/64/1351992664.db2.gz MPAQJTLRDKYQJE-AATRIKPKSA-N -1 3 330.298 2.434 20 30 EEEDHM Cn1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c(C(F)F)n1 ZINC001609478659 1351992667 /nfs/dbraw/zinc/99/26/67/1351992667.db2.gz MPAQJTLRDKYQJE-AATRIKPKSA-N -1 3 330.298 2.434 20 30 EEEDHM N#CCN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001609495513 1351998665 /nfs/dbraw/zinc/99/86/65/1351998665.db2.gz UGYVEYLCLIIGBO-ZHACJKMWSA-N -1 3 330.351 2.437 20 30 EEEDHM N#CCN(C(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001609495513 1351998668 /nfs/dbraw/zinc/99/86/68/1351998668.db2.gz UGYVEYLCLIIGBO-ZHACJKMWSA-N -1 3 330.351 2.437 20 30 EEEDHM N#Cc1ccc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC001609498664 1351998987 /nfs/dbraw/zinc/99/89/87/1351998987.db2.gz UYOWSJQJIMUHAU-KTKRTIGZSA-N -1 3 331.335 2.495 20 30 EEEDHM N#Cc1ccc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC001609498664 1351998988 /nfs/dbraw/zinc/99/89/88/1351998988.db2.gz UYOWSJQJIMUHAU-KTKRTIGZSA-N -1 3 331.335 2.495 20 30 EEEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCCC(F)(F)CC1 ZINC001338833332 1336916485 /nfs/dbraw/zinc/91/64/85/1336916485.db2.gz AYKRHWZVAVBJPB-UHFFFAOYSA-N -1 3 336.346 2.252 20 30 EEEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(C)C[C@@H]1CCCCO1 ZINC001342088684 1337309329 /nfs/dbraw/zinc/30/93/29/1337309329.db2.gz QJHLQJDWSAVOIH-LBPRGKRZSA-N -1 3 333.392 2.220 20 30 EEEDHM C=CC1CCN(c2nnc(-c3c[n-]oc3=O)n2C[C@@H]2CCOC2)CC1 ZINC001344123977 1337366367 /nfs/dbraw/zinc/36/63/67/1337366367.db2.gz OFXFNTKRHFVTLB-ZDUSSCGKSA-N -1 3 345.403 2.078 20 30 EEEDHM Cc1c(Br)c(C)n([N-]C(=O)[C@H](F)C(C)C)c(=O)c1C#N ZINC000848376389 1338694534 /nfs/dbraw/zinc/69/45/34/1338694534.db2.gz ULLQROGTLVHVRF-LLVKDONJSA-N -1 3 344.184 2.164 20 30 EEEDHM COc1cc(NC(=O)c2ccsc2C#N)c(F)cc1-c1nnn[n-]1 ZINC001579935212 1344435714 /nfs/dbraw/zinc/43/57/14/1344435714.db2.gz MJAUFKMTNUQKNH-UHFFFAOYSA-N -1 3 344.331 2.200 20 30 EEEDHM COc1cc(NC(=O)c2ccsc2C#N)c(F)cc1-c1nn[n-]n1 ZINC001579935212 1344435723 /nfs/dbraw/zinc/43/57/23/1344435723.db2.gz MJAUFKMTNUQKNH-UHFFFAOYSA-N -1 3 344.331 2.200 20 30 EEEDHM N#CCCc1ccc(NC(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC001581858139 1344679032 /nfs/dbraw/zinc/67/90/32/1344679032.db2.gz SCAPSXZDHMCDNS-UHFFFAOYSA-N -1 3 348.366 2.340 20 30 EEEDHM N#CCCc1ccc(NC(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC001581858139 1344679042 /nfs/dbraw/zinc/67/90/42/1344679042.db2.gz SCAPSXZDHMCDNS-UHFFFAOYSA-N -1 3 348.366 2.340 20 30 EEEDHM N#Cc1cc(-c2nnn[n-]2)c(SCC=C(Cl)Cl)nc1N ZINC001581863609 1344681671 /nfs/dbraw/zinc/68/16/71/1344681671.db2.gz XZMZYKHCAVRELJ-UHFFFAOYSA-N -1 3 328.188 2.127 20 30 EEEDHM N#Cc1cc(-c2nn[n-]n2)c(SCC=C(Cl)Cl)nc1N ZINC001581863609 1344681673 /nfs/dbraw/zinc/68/16/73/1344681673.db2.gz XZMZYKHCAVRELJ-UHFFFAOYSA-N -1 3 328.188 2.127 20 30 EEEDHM C=CC[C@H](C)NC(=O)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001588539462 1348914675 /nfs/dbraw/zinc/91/46/75/1348914675.db2.gz LRUORNKOAHFEJH-QMMMGPOBSA-N -1 3 336.193 2.324 20 30 EEEDHM C#C[C@@H](CC)OC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001588328091 1348887822 /nfs/dbraw/zinc/88/78/22/1348887822.db2.gz ZAMPAMPYLRZRLZ-WFASDCNBSA-N -1 3 328.372 2.225 20 30 EEEDHM C#C[C@@H](CC)OC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001588328091 1348887824 /nfs/dbraw/zinc/88/78/24/1348887824.db2.gz ZAMPAMPYLRZRLZ-WFASDCNBSA-N -1 3 328.372 2.225 20 30 EEEDHM C#C[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001588328458 1348887961 /nfs/dbraw/zinc/88/79/61/1348887961.db2.gz HQDKWFWLBRTWEY-GFCCVEGCSA-N -1 3 327.344 2.172 20 30 EEEDHM C#C[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001588328458 1348887967 /nfs/dbraw/zinc/88/79/67/1348887967.db2.gz HQDKWFWLBRTWEY-GFCCVEGCSA-N -1 3 327.344 2.172 20 30 EEEDHM C#C[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)c1ccccc1 ZINC001588328763 1348888002 /nfs/dbraw/zinc/88/80/02/1348888002.db2.gz PVHDNWRTHDAFAN-LLVKDONJSA-N -1 3 335.327 2.144 20 30 EEEDHM C#C[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)c1ccccc1 ZINC001588328763 1348888008 /nfs/dbraw/zinc/88/80/08/1348888008.db2.gz PVHDNWRTHDAFAN-LLVKDONJSA-N -1 3 335.327 2.144 20 30 EEEDHM C#C[C@H](NC(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21)C(C)(C)C ZINC001588329481 1348888439 /nfs/dbraw/zinc/88/84/39/1348888439.db2.gz HJMOBVFYUXCGOI-CABCVRRESA-N -1 3 338.415 2.201 20 30 EEEDHM C#C[C@H](NC(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21)C(C)(C)C ZINC001588329481 1348888445 /nfs/dbraw/zinc/88/84/45/1348888445.db2.gz HJMOBVFYUXCGOI-CABCVRRESA-N -1 3 338.415 2.201 20 30 EEEDHM C#C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC001588330104 1348889839 /nfs/dbraw/zinc/88/98/39/1348889839.db2.gz VAOOKBLNCVVXEJ-ZDUSSCGKSA-N -1 3 338.396 2.102 20 30 EEEDHM C#Cc1ccc(CNc2nnc(CC)c(CC)c2-c2nnn[n-]2)cc1 ZINC001588373641 1348897024 /nfs/dbraw/zinc/89/70/24/1348897024.db2.gz PVMWKGGQNJGIGL-UHFFFAOYSA-N -1 3 333.399 2.375 20 30 EEEDHM C#Cc1ccc(CNc2nnc(CC)c(CC)c2-c2nn[n-]n2)cc1 ZINC001588373641 1348897026 /nfs/dbraw/zinc/89/70/26/1348897026.db2.gz PVMWKGGQNJGIGL-UHFFFAOYSA-N -1 3 333.399 2.375 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588401114 1348900516 /nfs/dbraw/zinc/90/05/16/1348900516.db2.gz LXHHTFZDCUSIHM-RISCZKNCSA-N -1 3 347.806 2.231 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588401114 1348900522 /nfs/dbraw/zinc/90/05/22/1348900522.db2.gz LXHHTFZDCUSIHM-RISCZKNCSA-N -1 3 347.806 2.231 20 30 EEEDHM C=C(C)C[C@H](CO)Nc1ccc(-c2nn[n-]n2)cc1Br ZINC001588404626 1348900881 /nfs/dbraw/zinc/90/08/81/1348900881.db2.gz JNXOFVRUNCDZJO-SNVBAGLBSA-N -1 3 338.209 2.368 20 30 EEEDHM C=C(C)C[C@@H](C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC001588404617 1348901119 /nfs/dbraw/zinc/90/11/19/1348901119.db2.gz JLKBXBYVXJTBAT-GFCCVEGCSA-N -1 3 345.403 2.433 20 30 EEEDHM C=C(C)C[C@@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC001588404617 1348901127 /nfs/dbraw/zinc/90/11/27/1348901127.db2.gz JLKBXBYVXJTBAT-GFCCVEGCSA-N -1 3 345.403 2.433 20 30 EEEDHM C=CC[C@H](C)NC(=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001588539462 1348914672 /nfs/dbraw/zinc/91/46/72/1348914672.db2.gz LRUORNKOAHFEJH-QMMMGPOBSA-N -1 3 336.193 2.324 20 30 EEEDHM C=CCC(C)(C)C(=O)NC[C@@H](CC)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588532676 1348915002 /nfs/dbraw/zinc/91/50/02/1348915002.db2.gz CGSQWHXYUHUJAC-CYBMUJFWSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCC(C)(C)C(=O)NC[C@@H](CC)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588532676 1348915007 /nfs/dbraw/zinc/91/50/07/1348915007.db2.gz CGSQWHXYUHUJAC-CYBMUJFWSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CC[C@H]1N(C(=O)c2cc(-c3nnn[n-]3)ccn2)CCCC1(C)C ZINC001588564176 1348917572 /nfs/dbraw/zinc/91/75/72/1348917572.db2.gz JXEQCRWTVNLTLT-CQSZACIVSA-N -1 3 326.404 2.469 20 30 EEEDHM C=CC[C@H]1N(C(=O)c2cc(-c3nn[n-]n3)ccn2)CCCC1(C)C ZINC001588564176 1348917575 /nfs/dbraw/zinc/91/75/75/1348917575.db2.gz JXEQCRWTVNLTLT-CQSZACIVSA-N -1 3 326.404 2.469 20 30 EEEDHM C=CCCC(=O)NCC1(Nc2cccc(F)c2-c2nnn[n-]2)CCC1 ZINC001588570439 1348919280 /nfs/dbraw/zinc/91/92/80/1348919280.db2.gz MNGQCDPJVDLWGH-UHFFFAOYSA-N -1 3 344.394 2.423 20 30 EEEDHM C=CCCC(=O)NCC1(Nc2cccc(F)c2-c2nn[n-]n2)CCC1 ZINC001588570439 1348919285 /nfs/dbraw/zinc/91/92/85/1348919285.db2.gz MNGQCDPJVDLWGH-UHFFFAOYSA-N -1 3 344.394 2.423 20 30 EEEDHM C=CCCCN(CC)[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC001588601486 1348923282 /nfs/dbraw/zinc/92/32/82/1348923282.db2.gz NVZDZWUPZZVXNN-OAHLLOKOSA-N -1 3 329.404 2.369 20 30 EEEDHM C=CCCn1cc(CNc2nc(C)c(-c3nnn[n-]3)cc2Cl)nn1 ZINC001588626114 1348923978 /nfs/dbraw/zinc/92/39/78/1348923978.db2.gz SZPDRQFXGASGAT-UHFFFAOYSA-N -1 3 345.798 2.003 20 30 EEEDHM C=CCCn1cc(CNc2nc(C)c(-c3nn[n-]n3)cc2Cl)nn1 ZINC001588626114 1348923980 /nfs/dbraw/zinc/92/39/80/1348923980.db2.gz SZPDRQFXGASGAT-UHFFFAOYSA-N -1 3 345.798 2.003 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCOC[C@H]1C ZINC001588639042 1348925018 /nfs/dbraw/zinc/92/50/18/1348925018.db2.gz MVPREXFGNATMAY-CJNGLKHVSA-N -1 3 341.415 2.054 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCOC[C@H]1C ZINC001588639042 1348925022 /nfs/dbraw/zinc/92/50/22/1348925022.db2.gz MVPREXFGNATMAY-CJNGLKHVSA-N -1 3 341.415 2.054 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)C(=O)NCC(C)C ZINC001588648262 1348927221 /nfs/dbraw/zinc/92/72/21/1348927221.db2.gz JKTGEHOSYGARDJ-AWEZNQCLSA-N -1 3 342.447 2.015 20 30 EEEDHM C=CCN(Cc1noc(CCC)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588652197 1348927386 /nfs/dbraw/zinc/92/73/86/1348927386.db2.gz OASPTMGJRJRXPZ-UHFFFAOYSA-N -1 3 339.403 2.390 20 30 EEEDHM C=CCN(Cc1noc(CCC)n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588652197 1348927390 /nfs/dbraw/zinc/92/73/90/1348927390.db2.gz OASPTMGJRJRXPZ-UHFFFAOYSA-N -1 3 339.403 2.390 20 30 EEEDHM C=CCSCCNc1nc2cc(Cl)ccn2c1-c1nnn[n-]1 ZINC001588695635 1348929708 /nfs/dbraw/zinc/92/97/08/1348929708.db2.gz YPCYWVDPBGVERH-UHFFFAOYSA-N -1 3 335.824 2.499 20 30 EEEDHM C=CCSCCNc1nc2cc(Cl)ccn2c1-c1nn[n-]n1 ZINC001588695635 1348929710 /nfs/dbraw/zinc/92/97/10/1348929710.db2.gz YPCYWVDPBGVERH-UHFFFAOYSA-N -1 3 335.824 2.499 20 30 EEEDHM CC(C)CCN(CCC#N)C(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001589600852 1349008525 /nfs/dbraw/zinc/00/85/25/1349008525.db2.gz ZBTYIPJJSIFGIV-UHFFFAOYSA-N -1 3 330.367 2.408 20 30 EEEDHM CC(C)CCN(CCC#N)C(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001589600852 1349008529 /nfs/dbraw/zinc/00/85/29/1349008529.db2.gz ZBTYIPJJSIFGIV-UHFFFAOYSA-N -1 3 330.367 2.408 20 30 EEEDHM C[C@H](COc1ccccc1)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC001589885892 1349054428 /nfs/dbraw/zinc/05/44/28/1349054428.db2.gz SVPGHPSHKWSVCY-LLVKDONJSA-N -1 3 328.401 2.319 20 30 EEEDHM C[C@H](COc1ccccc1)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC001589885892 1349054430 /nfs/dbraw/zinc/05/44/30/1349054430.db2.gz SVPGHPSHKWSVCY-LLVKDONJSA-N -1 3 328.401 2.319 20 30 EEEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC001590032529 1349118102 /nfs/dbraw/zinc/11/81/02/1349118102.db2.gz DCGWOENFUNGUOC-MEDUHNTESA-N -1 3 344.444 2.402 20 30 EEEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC001590032529 1349118107 /nfs/dbraw/zinc/11/81/07/1349118107.db2.gz DCGWOENFUNGUOC-MEDUHNTESA-N -1 3 344.444 2.402 20 30 EEEDHM Cc1cc(C#N)cc(C)c1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001591906167 1349554605 /nfs/dbraw/zinc/55/46/05/1349554605.db2.gz ZTLZATDYDNWFOR-UHFFFAOYSA-N -1 3 343.350 2.479 20 30 EEEDHM Cc1cc(C#N)cc(C)c1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001591906167 1349554608 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O=c1ccc2c([nH]1)CCC(=Cc1cccc(F)c1-c1nn[n-]n1)C2=O ZINC001593379411 1349795271 /nfs/dbraw/zinc/79/52/71/1349795271.db2.gz DUBQDHHAANRFKW-NTMALXAHSA-N -1 3 337.314 2.319 20 30 EEEDHM N#Cc1c(F)cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC001598435886 1349939186 /nfs/dbraw/zinc/93/91/86/1349939186.db2.gz ZGNRRBXVMGBOTM-UHFFFAOYSA-N -1 3 326.266 2.269 20 30 EEEDHM N#Cc1c(F)cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001598435886 1349939187 /nfs/dbraw/zinc/93/91/87/1349939187.db2.gz ZGNRRBXVMGBOTM-UHFFFAOYSA-N -1 3 326.266 2.269 20 30 EEEDHM N#CC(C(=O)NCc1cccc(Cl)c1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001601046708 1350196735 /nfs/dbraw/zinc/19/67/35/1350196735.db2.gz ASKFGQWZLXJKGU-SCRDCRAPSA-N -1 3 348.786 2.166 20 30 EEEDHM N#CC(C(=O)NCc1cccc(Cl)c1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001601046705 1350196768 /nfs/dbraw/zinc/19/67/68/1350196768.db2.gz ASKFGQWZLXJKGU-OUCADQQQSA-N -1 3 348.786 2.166 20 30 EEEDHM C#CC1(NC(=O)N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)CCCC1 ZINC001602690914 1350573941 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N#Cc1cc(NC(=O)CC[C@H]2CCCCO2)ccc1-c1nnn[n-]1 ZINC000737704189 576429160 /nfs/dbraw/zinc/42/91/60/576429160.db2.gz HLRGSXBOOHHXLM-CYBMUJFWSA-N -1 3 326.360 2.026 20 30 EEEDHM N#Cc1cc(NC(=O)CC[C@H]2CCCCO2)ccc1-c1nn[n-]n1 ZINC000737704189 576429161 /nfs/dbraw/zinc/42/91/61/576429161.db2.gz HLRGSXBOOHHXLM-CYBMUJFWSA-N -1 3 326.360 2.026 20 30 EEEDHM CN(C)c1ccc(C=N[N-]S(=O)(=O)Cc2ccccc2)cc1F ZINC000727651293 576442460 /nfs/dbraw/zinc/44/24/60/576442460.db2.gz RWCLZTMPUPVYLW-UHFFFAOYSA-N -1 3 335.404 2.345 20 30 EEEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1c(C)nn2cccnc12 ZINC000727954714 576464328 /nfs/dbraw/zinc/46/43/28/576464328.db2.gz SJAWNBOCGHTUKW-LBPRGKRZSA-N -1 3 349.350 2.008 20 30 EEEDHM C[C@H]1Oc2c(cccc2C([O-])=C(C#N)C(=O)Nc2ccccc2)NC1=O ZINC000729187325 576609533 /nfs/dbraw/zinc/60/95/33/576609533.db2.gz AJEGBIBLGXMIFO-BXUZGUMPSA-N -1 3 349.346 2.367 20 30 EEEDHM N#Cc1ccc(S[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737722556 577106566 /nfs/dbraw/zinc/10/65/66/577106566.db2.gz KKERTOUBRGNUGH-AWEZNQCLSA-N -1 3 336.380 2.057 20 30 EEEDHM N#Cc1ccc(S[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737722556 577106569 /nfs/dbraw/zinc/10/65/69/577106569.db2.gz KKERTOUBRGNUGH-AWEZNQCLSA-N -1 3 336.380 2.057 20 30 EEEDHM CCc1nnc([C@H](C)OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)o1 ZINC000732320167 577168577 /nfs/dbraw/zinc/16/85/77/577168577.db2.gz GFEGDZIWBABGAT-NSHDSACASA-N -1 3 344.371 2.458 20 30 EEEDHM CN(C(=O)COC(=O)c1c([O-])cccc1F)C1(C#N)CCCCC1 ZINC000772582822 577283997 /nfs/dbraw/zinc/28/39/97/577283997.db2.gz ZJIWGWKTITWBQQ-UHFFFAOYSA-N -1 3 334.347 2.373 20 30 EEEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(N(C)C)c2)cc1 ZINC000773974388 577375898 /nfs/dbraw/zinc/37/58/98/577375898.db2.gz CDUKMVGCQIVCIX-HNNXBMFYSA-N -1 3 338.367 2.117 20 30 EEEDHM C#C[C@H](NCc1ccc(OC)c([O-])c1Br)[C@@H]1CCCO1 ZINC000775351731 577435787 /nfs/dbraw/zinc/43/57/87/577435787.db2.gz UEBGIEFFGBBSFH-RYUDHWBXSA-N -1 3 340.217 2.434 20 30 EEEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(C(F)F)n2)c1 ZINC000776077382 577451758 /nfs/dbraw/zinc/45/17/58/577451758.db2.gz OGCPFWNBFOBHQO-LLVKDONJSA-N -1 3 334.282 2.248 20 30 EEEDHM C[C@@H]1CCCC[C@H]1N(C)C(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000776274035 577456219 /nfs/dbraw/zinc/45/62/19/577456219.db2.gz LJEWGDVYKHYXPP-MLGOLLRUSA-N -1 3 330.384 2.458 20 30 EEEDHM C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cc([O-])cc(C#N)c2)[C@H]1C ZINC000776276144 577456395 /nfs/dbraw/zinc/45/63/95/577456395.db2.gz YGERLLWHQXTEFO-WQGACYEGSA-N -1 3 330.384 2.362 20 30 EEEDHM C#CCCN(CC(F)(F)F)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000767207699 577532434 /nfs/dbraw/zinc/53/24/34/577532434.db2.gz BMUWAZGJFIGXEI-UHFFFAOYSA-N -1 3 329.322 2.146 20 30 EEEDHM CCOc1ccccc1C(C)N=Nc1nc2c(cnn2C)c(=O)[n-]1 ZINC000769818184 577585209 /nfs/dbraw/zinc/58/52/09/577585209.db2.gz RBHCGBANSSDKOM-UHFFFAOYSA-N -1 3 326.360 2.304 20 30 EEEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(N)cc1C ZINC000758116060 577616115 /nfs/dbraw/zinc/61/61/15/577616115.db2.gz CWYASBOAAXCXLN-UHFFFAOYSA-N -1 3 331.441 2.463 20 30 EEEDHM O=C1Nc2cc([O-])ccc2C1=NNc1cncc(Br)c1 ZINC000758116879 577616153 /nfs/dbraw/zinc/61/61/53/577616153.db2.gz BYDYEFNMVPCKON-UHFFFAOYSA-N -1 3 333.145 2.318 20 30 EEEDHM Cn1c(Cl)cnc1/C=C/C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000752886964 577777653 /nfs/dbraw/zinc/77/76/53/577777653.db2.gz NEHHEVGJPRLHCC-BQYQJAHWSA-N -1 3 339.804 2.341 20 30 EEEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(-n2cccc2)nc1 ZINC000753398806 577786624 /nfs/dbraw/zinc/78/66/24/577786624.db2.gz BGLYQEBAIGTKPN-CQSZACIVSA-N -1 3 331.335 2.228 20 30 EEEDHM COc1ccc(C=N[N-]S(=O)(=O)CCc2ccccc2)c(OC)c1 ZINC000743448284 577885418 /nfs/dbraw/zinc/88/54/18/577885418.db2.gz IMIDKSVIABFHMH-UHFFFAOYSA-N -1 3 348.424 2.200 20 30 EEEDHM Cc1ncc(CO)c(C=Nc2ccc(N3CCN(C)CC3)cc2)c1[O-] ZINC000747712488 577948829 /nfs/dbraw/zinc/94/88/29/577948829.db2.gz ANQAZCKSSLPIAB-UHFFFAOYSA-N -1 3 340.427 2.090 20 30 EEEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000735208034 578140409 /nfs/dbraw/zinc/14/04/09/578140409.db2.gz WAYIVGKKOZLDHL-IDTUSYRASA-N -1 3 327.384 2.392 20 30 EEEDHM C=C(C)CN1CCC(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000735397666 578151778 /nfs/dbraw/zinc/15/17/78/578151778.db2.gz BRGJBIOVKLELKP-UHFFFAOYSA-N -1 3 333.827 2.368 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC1CCOCC1 ZINC000735418481 578152720 /nfs/dbraw/zinc/15/27/20/578152720.db2.gz FVBYPWWIJSEUPT-UHFFFAOYSA-N -1 3 341.415 2.198 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC1CCOCC1 ZINC000735418481 578152721 /nfs/dbraw/zinc/15/27/21/578152721.db2.gz FVBYPWWIJSEUPT-UHFFFAOYSA-N -1 3 341.415 2.198 20 30 EEEDHM CC(C)CCSCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735819746 578169095 /nfs/dbraw/zinc/16/90/95/578169095.db2.gz KBSCFMKRWAHEBS-UHFFFAOYSA-N -1 3 330.417 2.456 20 30 EEEDHM CC(C)CCSCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735819746 578169096 /nfs/dbraw/zinc/16/90/96/578169096.db2.gz KBSCFMKRWAHEBS-UHFFFAOYSA-N -1 3 330.417 2.456 20 30 EEEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(OC)ccn2)c1 ZINC000735911139 578172363 /nfs/dbraw/zinc/17/23/63/578172363.db2.gz KOGLWPKROQXNDW-AWEZNQCLSA-N -1 3 325.324 2.060 20 30 EEEDHM CN(Cc1ccc(OCC#N)cc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736819126 578225536 /nfs/dbraw/zinc/22/55/36/578225536.db2.gz IKVUNFNBLDHWSM-UHFFFAOYSA-N -1 3 334.383 2.401 20 30 EEEDHM Cc1n[nH]c(C)c1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2 ZINC000737454092 578258565 /nfs/dbraw/zinc/25/85/65/578258565.db2.gz XYPZLVJGDSYBJH-SREVYHEPSA-N -1 3 337.387 2.159 20 30 EEEDHM Cc1n[nH]c(C)c1C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2 ZINC000737454092 578258566 /nfs/dbraw/zinc/25/85/66/578258566.db2.gz XYPZLVJGDSYBJH-SREVYHEPSA-N -1 3 337.387 2.159 20 30 EEEDHM Cc1ncc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(C(C)C)n1 ZINC000737488740 578260444 /nfs/dbraw/zinc/26/04/44/578260444.db2.gz CAGPHGNXAOPZEN-UHFFFAOYSA-N -1 3 348.370 2.213 20 30 EEEDHM Cc1ncc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(C(C)C)n1 ZINC000737488740 578260445 /nfs/dbraw/zinc/26/04/45/578260445.db2.gz CAGPHGNXAOPZEN-UHFFFAOYSA-N -1 3 348.370 2.213 20 30 EEEDHM N#Cc1ccccc1C=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737730730 578268892 /nfs/dbraw/zinc/26/88/92/578268892.db2.gz QVQFEVSKWNNIDG-YVMONPNESA-N -1 3 341.334 2.262 20 30 EEEDHM N#Cc1ccccc1C=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737730730 578268893 /nfs/dbraw/zinc/26/88/93/578268893.db2.gz QVQFEVSKWNNIDG-YVMONPNESA-N -1 3 341.334 2.262 20 30 EEEDHM CC(=NNCc1ccc(-c2nn[nH]n2)cc1)c1ccc([O-])c(F)c1 ZINC000819773578 607253129 /nfs/dbraw/zinc/25/31/29/607253129.db2.gz VMGDJBXLXQDQDF-UHFFFAOYSA-N -1 3 326.335 2.225 20 30 EEEDHM CCC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1c(C)nn(C)c1C ZINC000820833211 607254276 /nfs/dbraw/zinc/25/42/76/607254276.db2.gz UBYJSDSWWSLQLE-UHFFFAOYSA-N -1 3 338.419 2.121 20 30 EEEDHM CCC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1c(C)nn(C)c1C ZINC000820833211 607254277 /nfs/dbraw/zinc/25/42/77/607254277.db2.gz UBYJSDSWWSLQLE-UHFFFAOYSA-N -1 3 338.419 2.121 20 30 EEEDHM N#CCCCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822806510 599526739 /nfs/dbraw/zinc/52/67/39/599526739.db2.gz PCFXLTDDEINGJS-UHFFFAOYSA-N -1 3 338.331 2.429 20 30 EEEDHM N#CCCCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822806510 599526740 /nfs/dbraw/zinc/52/67/40/599526740.db2.gz PCFXLTDDEINGJS-UHFFFAOYSA-N -1 3 338.331 2.429 20 30 EEEDHM C=CCOCCCC(=O)Oc1ccc(-c2nnn[n-]2)cc1OCC ZINC000819759340 599620537 /nfs/dbraw/zinc/62/05/37/599620537.db2.gz UWTRFMIJRDMRLI-UHFFFAOYSA-N -1 3 332.360 2.154 20 30 EEEDHM C=CCOCCCC(=O)Oc1ccc(-c2nn[n-]n2)cc1OCC ZINC000819759340 599620538 /nfs/dbraw/zinc/62/05/38/599620538.db2.gz UWTRFMIJRDMRLI-UHFFFAOYSA-N -1 3 332.360 2.154 20 30 EEEDHM C#Cc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)nc1 ZINC000819709306 607399716 /nfs/dbraw/zinc/39/97/16/607399716.db2.gz BVAMCIGRUXTBJV-UHFFFAOYSA-N -1 3 348.366 2.283 20 30 EEEDHM C#Cc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)nc1 ZINC000819709306 607399718 /nfs/dbraw/zinc/39/97/18/607399718.db2.gz BVAMCIGRUXTBJV-UHFFFAOYSA-N -1 3 348.366 2.283 20 30 EEEDHM C#CCN(Cc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCc2ccccc21 ZINC000823850042 607488189 /nfs/dbraw/zinc/48/81/89/607488189.db2.gz IYWULXAQBGNXGD-GOSISDBHSA-N -1 3 330.395 2.384 20 30 EEEDHM CN(C[C@H]1COc2ccccc2O1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830723277 601309684 /nfs/dbraw/zinc/30/96/84/601309684.db2.gz SFGHQGPKZAAIAM-YJBOKZPZSA-N -1 3 338.363 2.456 20 30 EEEDHM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000832935890 601914702 /nfs/dbraw/zinc/91/47/02/601914702.db2.gz SEZZZAPJEYHVKZ-KXBFYZLASA-N -1 3 343.427 2.427 20 30 EEEDHM C[C@@]1(C(=O)[O-])CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000828020360 601948339 /nfs/dbraw/zinc/94/83/39/601948339.db2.gz OIXWGYGJNSQJIZ-PIGZYNQJSA-N -1 3 343.408 2.269 20 30 EEEDHM COc1ccc(CNC(=O)Nc2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000826200369 607553456 /nfs/dbraw/zinc/55/34/56/607553456.db2.gz MEHYTVBBVGHLEK-UHFFFAOYSA-N -1 3 349.354 2.069 20 30 EEEDHM COc1ccc(CNC(=O)Nc2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000826200369 607553457 /nfs/dbraw/zinc/55/34/57/607553457.db2.gz MEHYTVBBVGHLEK-UHFFFAOYSA-N -1 3 349.354 2.069 20 30 EEEDHM COc1ccc(CNc2nc3c(cc2-c2nnn[n-]2)CCC3)cc1C#N ZINC000826204203 607558590 /nfs/dbraw/zinc/55/85/90/607558590.db2.gz BSRHYTFKYUAUOT-UHFFFAOYSA-N -1 3 347.382 2.243 20 30 EEEDHM COc1ccc(CNc2nc3c(cc2-c2nn[n-]n2)CCC3)cc1C#N ZINC000826204203 607558592 /nfs/dbraw/zinc/55/85/92/607558592.db2.gz BSRHYTFKYUAUOT-UHFFFAOYSA-N -1 3 347.382 2.243 20 30 EEEDHM COc1ccc(COC(=O)c2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000826206315 607594140 /nfs/dbraw/zinc/59/41/40/607594140.db2.gz NEAKCOGVEQKNJC-UHFFFAOYSA-N -1 3 335.323 2.104 20 30 EEEDHM COc1ccc(COC(=O)c2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000826206315 607594142 /nfs/dbraw/zinc/59/41/42/607594142.db2.gz NEAKCOGVEQKNJC-UHFFFAOYSA-N -1 3 335.323 2.104 20 30 EEEDHM C[C@H](OC(=O)COc1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000820497421 606339124 /nfs/dbraw/zinc/33/91/24/606339124.db2.gz REOKMCJCJVOZHR-LBPRGKRZSA-N -1 3 349.350 2.422 20 30 EEEDHM C[C@H](OC(=O)COc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000820497421 606339126 /nfs/dbraw/zinc/33/91/26/606339126.db2.gz 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EEEDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(C#N)oc1C ZINC001609333697 1351936139 /nfs/dbraw/zinc/93/61/39/1351936139.db2.gz FQCFUJFQXUYQCN-UHFFFAOYSA-N -1 3 339.311 2.005 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC(C2CCOCC2)CC1 ZINC001609499315 1352000085 /nfs/dbraw/zinc/00/00/85/1352000085.db2.gz INFHOODXPJSBIA-UHFFFAOYSA-N -1 3 338.415 2.381 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC(C2CCOCC2)CC1 ZINC001609499315 1352000090 /nfs/dbraw/zinc/00/00/90/1352000090.db2.gz INFHOODXPJSBIA-UHFFFAOYSA-N -1 3 338.415 2.381 20 30 EEEDHM C=CC[C@H](NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)C(=O)[O-] ZINC001332607798 1335861306 /nfs/dbraw/zinc/86/13/06/1335861306.db2.gz SISHUKQNOHMKAP-KBMXLJTQSA-N -1 3 331.416 2.150 20 30 EEEDHM O=C1C(=Cc2cnn3ccccc23)Cc2ccc(-c3nnn[n-]3)cc21 ZINC001609585711 1352028463 /nfs/dbraw/zinc/02/84/63/1352028463.db2.gz BZLRAIQQYQQHGQ-JYRVWZFOSA-N -1 3 328.335 2.337 20 30 EEEDHM O=C1C(=Cc2cnn3ccccc23)Cc2ccc(-c3nn[n-]n3)cc21 ZINC001609585711 1352028465 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EEEDHM CN(Cc1cc(-c2nnn[n-]2)cs1)C(=O)Cc1cccc(C#N)c1 ZINC001579241431 1344357983 /nfs/dbraw/zinc/35/79/83/1344357983.db2.gz KNPFQBXPDUANSC-UHFFFAOYSA-N -1 3 338.396 2.001 20 30 EEEDHM CN(Cc1cc(-c2nn[n-]n2)cs1)C(=O)Cc1cccc(C#N)c1 ZINC001579241431 1344357986 /nfs/dbraw/zinc/35/79/86/1344357986.db2.gz KNPFQBXPDUANSC-UHFFFAOYSA-N -1 3 338.396 2.001 20 30 EEEDHM COc1ccc(NC(=O)c2sccc2C#N)cc1-c1nnn[n-]1 ZINC001580046892 1344458430 /nfs/dbraw/zinc/45/84/30/1344458430.db2.gz RXVSJFTYFJEPBF-UHFFFAOYSA-N -1 3 326.341 2.061 20 30 EEEDHM COc1ccc(NC(=O)c2sccc2C#N)cc1-c1nn[n-]n1 ZINC001580046892 1344458431 /nfs/dbraw/zinc/45/84/31/1344458431.db2.gz RXVSJFTYFJEPBF-UHFFFAOYSA-N -1 3 326.341 2.061 20 30 EEEDHM Cc1cc(NC(=O)NCC2(C#N)CCCCC2)ncc1-c1nnn[n-]1 ZINC001580982172 1344578644 /nfs/dbraw/zinc/57/86/44/1344578644.db2.gz CDTHNENPKPINBP-UHFFFAOYSA-N -1 3 340.391 2.166 20 30 EEEDHM Cc1cc(NC(=O)NCC2(C#N)CCCCC2)ncc1-c1nn[n-]n1 ZINC001580982172 1344578648 /nfs/dbraw/zinc/57/86/48/1344578648.db2.gz CDTHNENPKPINBP-UHFFFAOYSA-N -1 3 340.391 2.166 20 30 EEEDHM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1)C1CCCCC1 ZINC001581857238 1344678515 /nfs/dbraw/zinc/67/85/15/1344678515.db2.gz UWRJOXTXBHMZEE-LBPRGKRZSA-N -1 3 345.794 2.117 20 30 EEEDHM N#CCc1ccsc1C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001581859599 1344680834 /nfs/dbraw/zinc/68/08/34/1344680834.db2.gz LVXCSKIGNAPUMR-UHFFFAOYSA-N -1 3 342.359 2.063 20 30 EEEDHM N#CCc1ccsc1C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001581859599 1344680841 /nfs/dbraw/zinc/68/08/41/1344680841.db2.gz LVXCSKIGNAPUMR-UHFFFAOYSA-N -1 3 342.359 2.063 20 30 EEEDHM C#CCC(CC#C)C(=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588331867 1348890018 /nfs/dbraw/zinc/89/00/18/1348890018.db2.gz SLGVFLCGTIOZJP-UHFFFAOYSA-N -1 3 347.422 2.236 20 30 EEEDHM C#CCC(CC#C)C(=O)N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588331867 1348890021 /nfs/dbraw/zinc/89/00/21/1348890021.db2.gz SLGVFLCGTIOZJP-UHFFFAOYSA-N -1 3 347.422 2.236 20 30 EEEDHM C#CCC[C@@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001588337875 1348892347 /nfs/dbraw/zinc/89/23/47/1348892347.db2.gz XPRZACMHRDZOOD-GFCCVEGCSA-N -1 3 328.372 2.369 20 30 EEEDHM C#CCC[C@@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588337875 1348892356 /nfs/dbraw/zinc/89/23/56/1348892356.db2.gz XPRZACMHRDZOOD-GFCCVEGCSA-N -1 3 328.372 2.369 20 30 EEEDHM C#CCN(CC#C)C(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588350007 1348893297 /nfs/dbraw/zinc/89/32/97/1348893297.db2.gz XYUCYEQJVQJFDL-UHFFFAOYSA-N -1 3 335.392 2.098 20 30 EEEDHM C#CCN(CC#C)C(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588350007 1348893305 /nfs/dbraw/zinc/89/33/05/1348893305.db2.gz XYUCYEQJVQJFDL-UHFFFAOYSA-N -1 3 335.392 2.098 20 30 EEEDHM C=C(C)C(C)(C)C(=O)NC[C@H](CC)Nc1ncccc1-c1nnn[n-]1 ZINC001588397046 1348899943 /nfs/dbraw/zinc/89/99/43/1348899943.db2.gz VLEHHJRJDSMQLM-LBPRGKRZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C(C)C(C)(C)C(=O)NC[C@H](CC)Nc1ncccc1-c1nn[n-]n1 ZINC001588397046 1348899948 /nfs/dbraw/zinc/89/99/48/1348899948.db2.gz VLEHHJRJDSMQLM-LBPRGKRZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CC(C)(C)CC(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588483231 1348908038 /nfs/dbraw/zinc/90/80/38/1348908038.db2.gz CPEPMMCPGQFJSJ-LBPRGKRZSA-N -1 3 343.435 2.028 20 30 EEEDHM C=CC(C)(C)CC(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588483231 1348908040 /nfs/dbraw/zinc/90/80/40/1348908040.db2.gz CPEPMMCPGQFJSJ-LBPRGKRZSA-N -1 3 343.435 2.028 20 30 EEEDHM C=CC[C@@H](C)OC(=O)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001588539560 1348914801 /nfs/dbraw/zinc/91/48/01/1348914801.db2.gz PWVXDNWQFHNPQH-DGCLKSJQSA-N -1 3 345.378 2.340 20 30 EEEDHM C=CCC1(NC(=O)c2ccc(-c3nnn[n-]3)cc2OC)CCCC1 ZINC001588558071 1348916656 /nfs/dbraw/zinc/91/66/56/1348916656.db2.gz ZQWRYDBJSBPGCW-UHFFFAOYSA-N -1 3 327.388 2.494 20 30 EEEDHM C=CCC1(NC(=O)c2ccc(-c3nn[n-]n3)cc2OC)CCCC1 ZINC001588558071 1348916659 /nfs/dbraw/zinc/91/66/59/1348916659.db2.gz ZQWRYDBJSBPGCW-UHFFFAOYSA-N -1 3 327.388 2.494 20 30 EEEDHM C=CC[C@H]1CCCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588559989 1348916905 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EEEDHM C=CCCCC(=O)NC[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588586164 1348920990 /nfs/dbraw/zinc/92/09/90/1348920990.db2.gz FUJXOKXDVKUXPJ-LLVKDONJSA-N -1 3 332.383 2.279 20 30 EEEDHM C=CCCC[C@H](C)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588595121 1348921786 /nfs/dbraw/zinc/92/17/86/1348921786.db2.gz YYJSCUNZSKRJGC-BBRMVZONSA-N -1 3 338.415 2.410 20 30 EEEDHM C=CCN(Cc1ccc(-c2nnn[n-]2)c(OC)c1)CC(F)(F)F ZINC001588635133 1348924852 /nfs/dbraw/zinc/92/48/52/1348924852.db2.gz DOAXFQJLSIGXLM-UHFFFAOYSA-N -1 3 327.310 2.426 20 30 EEEDHM C=CCN(Cc1ccc(-c2nn[n-]n2)c(OC)c1)CC(F)(F)F ZINC001588635133 1348924855 /nfs/dbraw/zinc/92/48/55/1348924855.db2.gz DOAXFQJLSIGXLM-UHFFFAOYSA-N -1 3 327.310 2.426 20 30 EEEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)CC(=O)N2 ZINC001588780949 1348935046 /nfs/dbraw/zinc/93/50/46/1348935046.db2.gz VCOIQQRQISYRDJ-UHFFFAOYSA-N -1 3 333.355 2.197 20 30 EEEDHM C[C@H](NC(=O)c1cccc(F)c1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC001589947313 1349074676 /nfs/dbraw/zinc/07/46/76/1349074676.db2.gz QMCWRGAWISPQKG-JTQLQIEISA-N -1 3 336.330 2.368 20 30 EEEDHM C[C@H](NC(=O)c1cccc(F)c1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC001589947313 1349074689 /nfs/dbraw/zinc/07/46/89/1349074689.db2.gz QMCWRGAWISPQKG-JTQLQIEISA-N -1 3 336.330 2.368 20 30 EEEDHM C[C@@](O)(CNc1c(C#N)cccc1-c1nnn[n-]1)c1ccsc1 ZINC001589990388 1349096568 /nfs/dbraw/zinc/09/65/68/1349096568.db2.gz HXYFXZLDCGQUAC-OAHLLOKOSA-N -1 3 326.385 2.119 20 30 EEEDHM C[C@@](O)(CNc1c(C#N)cccc1-c1nn[n-]n1)c1ccsc1 ZINC001589990388 1349096571 /nfs/dbraw/zinc/09/65/71/1349096571.db2.gz HXYFXZLDCGQUAC-OAHLLOKOSA-N -1 3 326.385 2.119 20 30 EEEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCC(C)(C)CC#N ZINC001590029022 1349116666 /nfs/dbraw/zinc/11/66/66/1349116666.db2.gz NRDJNHJOXSZGPT-NSHDSACASA-N -1 3 329.360 2.117 20 30 EEEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCC(C)(C)CC#N ZINC001590029022 1349116670 /nfs/dbraw/zinc/11/66/70/1349116670.db2.gz NRDJNHJOXSZGPT-NSHDSACASA-N -1 3 329.360 2.117 20 30 EEEDHM CCN(CCC#N)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590691714 1349391353 /nfs/dbraw/zinc/39/13/53/1349391353.db2.gz CNTXFZQGZXXCOT-UHFFFAOYSA-N -1 3 338.331 2.063 20 30 EEEDHM CCN(CCC#N)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590691714 1349391357 /nfs/dbraw/zinc/39/13/57/1349391357.db2.gz CNTXFZQGZXXCOT-UHFFFAOYSA-N -1 3 338.331 2.063 20 30 EEEDHM COC(=O)c1coc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)c1 ZINC001591307562 1349459373 /nfs/dbraw/zinc/45/93/73/1349459373.db2.gz MCQQCNGTWJTQCY-VZUCSPMQSA-N -1 3 336.307 2.069 20 30 EEEDHM COC(=O)c1coc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)c1 ZINC001591307562 1349459382 /nfs/dbraw/zinc/45/93/82/1349459382.db2.gz MCQQCNGTWJTQCY-VZUCSPMQSA-N -1 3 336.307 2.069 20 30 EEEDHM COc1cc(C(=O)NCC2(C#N)CCCCC2)ccc1-c1nnn[n-]1 ZINC001591513326 1349495499 /nfs/dbraw/zinc/49/54/99/1349495499.db2.gz INUVCBKVUBYTON-UHFFFAOYSA-N -1 3 340.387 2.079 20 30 EEEDHM COc1cc(C(=O)NCC2(C#N)CCCCC2)ccc1-c1nn[n-]n1 ZINC001591513326 1349495510 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C=C(C)CN1C[C@]2(CC1=O)COCCN(Cc1cccc([O-])c1F)C2 ZINC001274859302 1205190259 /nfs/dbraw/zinc/19/02/59/1205190259.db2.gz GYKDBJHYBXAHMT-LJQANCHMSA-N -1 3 348.418 2.158 20 30 EEEDHM N#Cc1cc(C(=O)N2CCCc3c(=O)[n-]cnc32)cnc1C(F)(F)F ZINC001412274129 1205685378 /nfs/dbraw/zinc/68/53/78/1205685378.db2.gz YPSVMCZLOLINSP-UHFFFAOYSA-N -1 3 349.272 2.061 20 30 EEEDHM C=CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)OC ZINC001257289321 1206138274 /nfs/dbraw/zinc/13/82/74/1206138274.db2.gz WRSWJCBEEFGDKF-VIFPVBQESA-N -1 3 338.212 2.389 20 30 EEEDHM C[C@@](NC(=O)N[C@H]1CCCN([O-])C1=O)(c1ccccc1)C(F)(F)F ZINC000933402347 1207766428 /nfs/dbraw/zinc/76/64/28/1207766428.db2.gz SRKGTIUIBLTKLR-SMDDNHRTSA-N -1 3 345.321 2.144 20 30 EEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)CC)ccc1F ZINC000075509115 1208736471 /nfs/dbraw/zinc/73/64/71/1208736471.db2.gz IVSSYEQASYLWRM-LLVKDONJSA-N -1 3 328.409 2.161 20 30 EEEDHM COC(=O)c1ccc(N=Cc2c([O-])c(C)ncc2CO)c(OC)c1 ZINC000780148039 1243411250 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RADWFJPAAHDSAL-UHFFFAOYSA-N -1 3 342.461 2.405 20 30 EEEDHM Cc1c(F)c(Br)ccc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000854649405 1292905848 /nfs/dbraw/zinc/90/58/48/1292905848.db2.gz YEWNWVCKNNHJCX-SNVBAGLBSA-N -1 3 345.168 2.007 20 30 EEEDHM C=CCCO[N-]C(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C ZINC000856029733 1293389185 /nfs/dbraw/zinc/38/91/85/1293389185.db2.gz AUILFTDFYKRMMS-UHFFFAOYSA-N -1 3 329.404 2.062 20 30 EEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@]2(C)CC2(C)C)ccc1F ZINC000856134121 1293417410 /nfs/dbraw/zinc/41/74/10/1293417410.db2.gz IQMQHRJJWJKSIT-INIZCTEOSA-N -1 3 340.420 2.208 20 30 EEEDHM CCOc1cc(C=NN2C(=O)[C@@H](C)N(C)C2=O)cc(Cl)c1[O-] ZINC000857217142 1293760621 /nfs/dbraw/zinc/76/06/21/1293760621.db2.gz MIUMRDCMNRYQDR-MRVPVSSYSA-N -1 3 325.752 2.061 20 30 EEEDHM CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])CC1(C)C ZINC001073386702 1296955938 /nfs/dbraw/zinc/95/59/38/1296955938.db2.gz AXXUMXGVRHVQIR-QGZVFWFLSA-N -1 3 342.439 2.409 20 30 EEEDHM C=CCC[C@H](NC(=O)NC[C@@H](C)N(C)Cc1ccccc1)C(=O)[O-] ZINC000316287189 1298566744 /nfs/dbraw/zinc/56/67/44/1298566744.db2.gz GYRFPDDYFBFLEE-ZBFHGGJFSA-N -1 3 333.432 2.226 20 30 EEEDHM Cn1cc(CN2CCC23CN(Cc2cccc([O-])c2F)C3)cc1C#N ZINC001276845074 1299892170 /nfs/dbraw/zinc/89/21/70/1299892170.db2.gz GOABXDQONBIHLL-UHFFFAOYSA-N -1 3 340.402 2.202 20 30 EEEDHM [O-]/N=C(\OC1CCN(c2ccnc(Cl)n2)CC1)c1ccccn1 ZINC001223975809 1300360419 /nfs/dbraw/zinc/36/04/19/1300360419.db2.gz GBNAOUIPYBWJRW-ZHZULCJRSA-N -1 3 333.779 2.346 20 30 EEEDHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1nccc(/C=N/[O-])n1 ZINC001226255449 1301324673 /nfs/dbraw/zinc/32/46/73/1301324673.db2.gz JICQHFUMEXHJRM-MPVQVLGCSA-N -1 3 336.392 2.309 20 30 EEEDHM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](Oc2ccc3occ([O-])c3c2)C1 ZINC001233677804 1304555392 /nfs/dbraw/zinc/55/53/92/1304555392.db2.gz OEEWKIVMAIBAKV-ZBEGNZNMSA-N -1 3 344.367 2.400 20 30 EEEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(F)F)n(C)n2)cc1 ZINC001122457963 1310293126 /nfs/dbraw/zinc/29/31/26/1310293126.db2.gz AVAJZDMXWDWWNU-LLVKDONJSA-N -1 3 348.309 2.327 20 30 EEEDHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C#N)c2F)c1 ZINC001260843327 1319989735 /nfs/dbraw/zinc/98/97/35/1319989735.db2.gz FPTLFUMLSQLHOQ-UHFFFAOYSA-N -1 3 334.328 2.285 20 30 EEEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2C[C@@H]3C(=O)CCC[C@@H]3C2)n1 ZINC001158998053 1319551225 /nfs/dbraw/zinc/55/12/25/1319551225.db2.gz AICGMSWXLRYZQS-AETVSBFQSA-N -1 3 340.836 2.465 20 30 EEEDHM N#Cc1cc(C(F)(F)[N-]c2nc(O)nc3nc[nH]c32)cnc1Cl ZINC001159198150 1319674683 /nfs/dbraw/zinc/67/46/83/1319674683.db2.gz HKSFRBUUTTVKIQ-UHFFFAOYSA-N -1 3 337.677 2.140 20 30 EEEDHM CCOC(=O)[C@@H](C#N)[N-]c1cc([N+](=O)[O-])cc2c(Cl)ncnc12 ZINC001159332091 1319743990 /nfs/dbraw/zinc/74/39/90/1319743990.db2.gz JBNWCHMAGAUQKE-SNVBAGLBSA-N -1 3 335.707 2.059 20 30 EEEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCC[C@@](F)(CO)CC2)n1 ZINC001164408095 1321373337 /nfs/dbraw/zinc/37/33/37/1321373337.db2.gz YAEWHCQXAWOTLD-HFVKVNHUSA-N -1 3 348.831 2.351 20 30 EEEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(C)CCOC(C)(C)C ZINC001263323036 1322460403 /nfs/dbraw/zinc/46/04/03/1322460403.db2.gz DVUZZRZVASRENX-UHFFFAOYSA-N -1 3 335.408 2.466 20 30 EEEDHM C=C1CCN(c2nnc(-c3c[n-]oc3=O)n2C[C@@H]2CCCCO2)CC1 ZINC001263597078 1322493674 /nfs/dbraw/zinc/49/36/74/1322493674.db2.gz YSFCRPIAFWEGAW-ZDUSSCGKSA-N -1 3 345.403 2.364 20 30 EEEDHM CC[C@H](C)n1nccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001590420001 1349315645 /nfs/dbraw/zinc/31/56/45/1349315645.db2.gz SYMYHRJSQBNJHS-JTQLQIEISA-N -1 3 336.359 2.158 20 30 EEEDHM CC[C@H](C)n1nccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001590420001 1349315650 /nfs/dbraw/zinc/31/56/50/1349315650.db2.gz SYMYHRJSQBNJHS-JTQLQIEISA-N -1 3 336.359 2.158 20 30 EEEDHM N#CCCCC[C@H](N)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001601064910 1350200888 /nfs/dbraw/zinc/20/08/88/1350200888.db2.gz OWXKZOJDCPROTA-KBPBESRZSA-N -1 3 337.807 2.383 20 30 EEEDHM CN(c1ncc(Br)cc1-c1nnn[n-]1)[C@@H]1CCC[C@@H]1C#N ZINC001604834938 1351017771 /nfs/dbraw/zinc/01/77/71/1351017771.db2.gz AHQMKZKVSBWYBF-LDYMZIIASA-N -1 3 348.208 2.153 20 30 EEEDHM CN(c1ncc(Br)cc1-c1nn[n-]n1)[C@@H]1CCC[C@@H]1C#N ZINC001604834938 1351017773 /nfs/dbraw/zinc/01/77/73/1351017773.db2.gz AHQMKZKVSBWYBF-LDYMZIIASA-N -1 3 348.208 2.153 20 30 EEEDHM CN(CCCN(C)c1ccc(C(=O)[O-])nc1C#N)Cc1ccncc1 ZINC001606121892 1351274337 /nfs/dbraw/zinc/27/43/37/1351274337.db2.gz VJYFVXRGIYVFJN-UHFFFAOYSA-N -1 3 339.399 2.005 20 30 EEEDHM C#CCCCCC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001319904916 1332795328 /nfs/dbraw/zinc/79/53/28/1332795328.db2.gz UBZYGPBTFZNHFW-UHFFFAOYSA-N -1 3 326.393 2.007 20 30 EEEDHM C#CCO[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC001609021251 1351817410 /nfs/dbraw/zinc/81/74/10/1351817410.db2.gz MHKPHPGZBAZVGR-SNVBAGLBSA-N -1 3 345.428 2.174 20 30 EEEDHM C#CCO[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC001609021251 1351817413 /nfs/dbraw/zinc/81/74/13/1351817413.db2.gz MHKPHPGZBAZVGR-SNVBAGLBSA-N -1 3 345.428 2.174 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609051059 1351824114 /nfs/dbraw/zinc/82/41/14/1351824114.db2.gz MVZHQKMLSLEMIW-RISCZKNCSA-N -1 3 330.348 2.168 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609051059 1351824118 /nfs/dbraw/zinc/82/41/18/1351824118.db2.gz MVZHQKMLSLEMIW-RISCZKNCSA-N -1 3 330.348 2.168 20 30 EEEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1-n1ccnn1 ZINC001609061163 1351827427 /nfs/dbraw/zinc/82/74/27/1351827427.db2.gz IPPQKBPSRYIPFA-UHFFFAOYSA-N -1 3 345.370 2.284 20 30 EEEDHM COc1ccc(C=CC(=O)c2cn3ccccc3n2)cc1-c1nnn[n-]1 ZINC001609353481 1351943335 /nfs/dbraw/zinc/94/33/35/1351943335.db2.gz BYVLLRQZCLXXBZ-FNORWQNLSA-N -1 3 346.350 2.419 20 30 EEEDHM COc1ccc(C=CC(=O)c2cn3ccccc3n2)cc1-c1nn[n-]n1 ZINC001609353481 1351943338 /nfs/dbraw/zinc/94/33/38/1351943338.db2.gz BYVLLRQZCLXXBZ-FNORWQNLSA-N -1 3 346.350 2.419 20 30 EEEDHM N#Cc1ncn(Cc2nc(C3CCCCC3)cs2)c1-c1nnn[n-]1 ZINC001609501538 1352000869 /nfs/dbraw/zinc/00/08/69/1352000869.db2.gz VXZVLAJJYBMELL-UHFFFAOYSA-N -1 3 340.416 2.487 20 30 EEEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1CCCCC1 ZINC001609493111 1351998039 /nfs/dbraw/zinc/99/80/39/1351998039.db2.gz IMYQSDKDFDYKFB-MRXNPFEDSA-N -1 3 338.415 2.245 20 30 EEEDHM Cc1cc([C@H](N)CC(=O)[N-]Oc2cccc(C#N)c2)cc(Cl)n1 ZINC001579570862 1344395652 /nfs/dbraw/zinc/39/56/52/1344395652.db2.gz FIEZTPMVJRDGOH-CQSZACIVSA-N -1 3 330.775 2.415 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(CC#N)c1 ZINC001579882220 1344425287 /nfs/dbraw/zinc/42/52/87/1344425287.db2.gz WRAVXNZDEIGBRF-UHFFFAOYSA-N -1 3 334.339 2.194 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(CC#N)c1 ZINC001579882220 1344425290 /nfs/dbraw/zinc/42/52/90/1344425290.db2.gz WRAVXNZDEIGBRF-UHFFFAOYSA-N -1 3 334.339 2.194 20 30 EEEDHM COc1cc(NC(=O)c2csc(-c3nnn[n-]3)c2)c(F)cc1C#N ZINC001579935305 1344435646 /nfs/dbraw/zinc/43/56/46/1344435646.db2.gz RIPZLRUCTWKVQS-UHFFFAOYSA-N -1 3 344.331 2.200 20 30 EEEDHM Cc1cc(C(=O)NC(C)(C)c2cccc(C#N)c2)ncc1-c1nnn[n-]1 ZINC001580815675 1344562682 /nfs/dbraw/zinc/56/26/82/1344562682.db2.gz NTFZVSIYORVIHN-UHFFFAOYSA-N -1 3 347.382 2.107 20 30 EEEDHM Cc1cc(C(=O)NC(C)(C)c2cccc(C#N)c2)ncc1-c1nn[n-]n1 ZINC001580815675 1344562684 /nfs/dbraw/zinc/56/26/84/1344562684.db2.gz NTFZVSIYORVIHN-UHFFFAOYSA-N -1 3 347.382 2.107 20 30 EEEDHM N#CCCN(CC1CC1)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001581858102 1344679370 /nfs/dbraw/zinc/67/93/70/1344679370.db2.gz QLJMRKGLMCLEQN-JKSUJKDBSA-N -1 3 336.399 2.122 20 30 EEEDHM N#CCCN(CC1CC1)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001581858102 1344679373 /nfs/dbraw/zinc/67/93/73/1344679373.db2.gz QLJMRKGLMCLEQN-JKSUJKDBSA-N -1 3 336.399 2.122 20 30 EEEDHM N#CCc1ccc(CNC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC001581858672 1344679716 /nfs/dbraw/zinc/67/97/16/1344679716.db2.gz PZWMYFIVPBCVGP-UHFFFAOYSA-N -1 3 339.384 2.316 20 30 EEEDHM N#CCc1ccc(CNC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC001581858672 1344679717 /nfs/dbraw/zinc/67/97/17/1344679717.db2.gz PZWMYFIVPBCVGP-UHFFFAOYSA-N -1 3 339.384 2.316 20 30 EEEDHM N#CCc1ccsc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001581859808 1344680723 /nfs/dbraw/zinc/68/07/23/1344680723.db2.gz WPGDSFPLEIDQAW-UHFFFAOYSA-N -1 3 336.380 2.197 20 30 EEEDHM N#CCc1ccsc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001581859808 1344680726 /nfs/dbraw/zinc/68/07/26/1344680726.db2.gz WPGDSFPLEIDQAW-UHFFFAOYSA-N -1 3 336.380 2.197 20 30 EEEDHM N#Cc1cc(NC(=O)[C@H]2CCc3ccccc3O2)ccc1-c1nnn[n-]1 ZINC001581866460 1344682530 /nfs/dbraw/zinc/68/25/30/1344682530.db2.gz DITLIUCDWAKCFR-MRXNPFEDSA-N -1 3 346.350 2.071 20 30 EEEDHM N#Cc1cc(NC(=O)[C@H]2CCc3ccccc3O2)ccc1-c1nn[n-]n1 ZINC001581866460 1344682533 /nfs/dbraw/zinc/68/25/33/1344682533.db2.gz DITLIUCDWAKCFR-MRXNPFEDSA-N -1 3 346.350 2.071 20 30 EEEDHM C#C[C@@](C)(CC)NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001588325064 1348886542 /nfs/dbraw/zinc/88/65/42/1348886542.db2.gz FCXBDHRJXLAXMQ-INIZCTEOSA-N -1 3 329.429 2.018 20 30 EEEDHM C#C[C@@](C)(CC)NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001588325064 1348886545 /nfs/dbraw/zinc/88/65/45/1348886545.db2.gz FCXBDHRJXLAXMQ-INIZCTEOSA-N -1 3 329.429 2.018 20 30 EEEDHM C#C[C@@H](CCC)NC(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001588327226 1348886707 /nfs/dbraw/zinc/88/67/07/1348886707.db2.gz FBPNBXBCUGTBPX-AWEZNQCLSA-N -1 3 326.404 2.203 20 30 EEEDHM C#C[C@@H](CCC)NC(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001588327226 1348886712 /nfs/dbraw/zinc/88/67/12/1348886712.db2.gz FBPNBXBCUGTBPX-AWEZNQCLSA-N -1 3 326.404 2.203 20 30 EEEDHM C#C[C@H](CCC)NC(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001588328031 1348888372 /nfs/dbraw/zinc/88/83/72/1348888372.db2.gz XBCWOWUJMWUERP-OAHLLOKOSA-N -1 3 338.415 2.347 20 30 EEEDHM C#C[C@H](CCC)NC(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001588328031 1348888381 /nfs/dbraw/zinc/88/83/81/1348888381.db2.gz XBCWOWUJMWUERP-OAHLLOKOSA-N -1 3 338.415 2.347 20 30 EEEDHM C#C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1C)c1ccc(F)cc1 ZINC001588330054 1348889077 /nfs/dbraw/zinc/88/90/77/1348889077.db2.gz UCSRQGUOSNEGGY-MRXNPFEDSA-N -1 3 335.342 2.419 20 30 EEEDHM C#C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1C)c1ccc(F)cc1 ZINC001588330054 1348889082 /nfs/dbraw/zinc/88/90/82/1348889082.db2.gz UCSRQGUOSNEGGY-MRXNPFEDSA-N -1 3 335.342 2.419 20 30 EEEDHM C#C[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(OC)cc32)C1 ZINC001588332695 1348890163 /nfs/dbraw/zinc/89/01/63/1348890163.db2.gz PVZKJOWNGDNERK-GFCCVEGCSA-N -1 3 334.383 2.273 20 30 EEEDHM C#C[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccc(OC)cc32)C1 ZINC001588332695 1348890168 /nfs/dbraw/zinc/89/01/68/1348890168.db2.gz PVZKJOWNGDNERK-GFCCVEGCSA-N -1 3 334.383 2.273 20 30 EEEDHM C#CCO[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)C(C)(C)CC2 ZINC001588360268 1348895043 /nfs/dbraw/zinc/89/50/43/1348895043.db2.gz MRJBLPKHDHGCSJ-VIFPVBQESA-N -1 3 345.428 2.129 20 30 EEEDHM C#CCO[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)C(C)(C)CC2 ZINC001588360268 1348895046 /nfs/dbraw/zinc/89/50/46/1348895046.db2.gz MRJBLPKHDHGCSJ-VIFPVBQESA-N -1 3 345.428 2.129 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001588401873 1348901446 /nfs/dbraw/zinc/90/14/46/1348901446.db2.gz ZBLRXLDNDKYUFN-RISCZKNCSA-N -1 3 347.806 2.231 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001588401873 1348901450 /nfs/dbraw/zinc/90/14/50/1348901450.db2.gz ZBLRXLDNDKYUFN-RISCZKNCSA-N -1 3 347.806 2.231 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC001588401665 1348901581 /nfs/dbraw/zinc/90/15/81/1348901581.db2.gz WUKQBGGERISEFE-DOMZBBRYSA-N -1 3 326.404 2.144 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC001588401665 1348901584 /nfs/dbraw/zinc/90/15/84/1348901584.db2.gz WUKQBGGERISEFE-DOMZBBRYSA-N -1 3 326.404 2.144 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N(C)CCNc1cccc(F)c1-c1nnn[n-]1 ZINC001588518380 1348911116 /nfs/dbraw/zinc/91/11/16/1348911116.db2.gz BQEZUPGQTJJZFX-LBPRGKRZSA-N -1 3 346.410 2.478 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N(C)CCNc1cccc(F)c1-c1nn[n-]n1 ZINC001588518380 1348911120 /nfs/dbraw/zinc/91/11/20/1348911120.db2.gz BQEZUPGQTJJZFX-LBPRGKRZSA-N -1 3 346.410 2.478 20 30 EEEDHM C=CC[C@@H]1CCN1C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001588563922 1348918259 /nfs/dbraw/zinc/91/82/59/1348918259.db2.gz FGTYRNRTIRGLNI-CYBMUJFWSA-N -1 3 327.388 2.201 20 30 EEEDHM C=CC[C@@H]1CCN1C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588563922 1348918262 /nfs/dbraw/zinc/91/82/62/1348918262.db2.gz FGTYRNRTIRGLNI-CYBMUJFWSA-N -1 3 327.388 2.201 20 30 EEEDHM C=CCCC(=O)NC[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001588572957 1348918856 /nfs/dbraw/zinc/91/88/56/1348918856.db2.gz VZGKUBSMKKMBRL-LBPRGKRZSA-N -1 3 344.394 2.057 20 30 EEEDHM C=CCCC(=O)NC[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001588572957 1348918859 /nfs/dbraw/zinc/91/88/59/1348918859.db2.gz VZGKUBSMKKMBRL-LBPRGKRZSA-N -1 3 344.394 2.057 20 30 EEEDHM C=CCCCCCN(C)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588594620 1348921817 /nfs/dbraw/zinc/92/18/17/1348921817.db2.gz YNKXLRVRLOPVMS-UHFFFAOYSA-N -1 3 349.460 2.375 20 30 EEEDHM C=CCCCCCN(C)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588594620 1348921820 /nfs/dbraw/zinc/92/18/20/1348921820.db2.gz YNKXLRVRLOPVMS-UHFFFAOYSA-N -1 3 349.460 2.375 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)[C@H]1CCCO1 ZINC001588638506 1348925198 /nfs/dbraw/zinc/92/51/98/1348925198.db2.gz DLKXCYVOIUXYFN-CZUORRHYSA-N -1 3 341.415 2.196 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)[C@H]1CCCO1 ZINC001588638506 1348925203 /nfs/dbraw/zinc/92/52/03/1348925203.db2.gz DLKXCYVOIUXYFN-CZUORRHYSA-N -1 3 341.415 2.196 20 30 EEEDHM C=CCO[C@H]1CCN(C(=O)Nc2scc(C)c2-c2nnn[n-]2)C1 ZINC001588665647 1348928338 /nfs/dbraw/zinc/92/83/38/1348928338.db2.gz OMVMVQPKVJHZTC-JTQLQIEISA-N -1 3 334.405 2.045 20 30 EEEDHM C=CCO[C@H]1CCN(C(=O)Nc2scc(C)c2-c2nn[n-]n2)C1 ZINC001588665647 1348928341 /nfs/dbraw/zinc/92/83/41/1348928341.db2.gz OMVMVQPKVJHZTC-JTQLQIEISA-N -1 3 334.405 2.045 20 30 EEEDHM CC(=NNCCCn1ccnc1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588777358 1348935455 /nfs/dbraw/zinc/93/54/55/1348935455.db2.gz PCALPEKCLFJKSS-UHFFFAOYSA-N -1 3 344.810 2.121 20 30 EEEDHM CC(=NNCCCn1ccnc1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588777358 1348935458 /nfs/dbraw/zinc/93/54/58/1348935458.db2.gz PCALPEKCLFJKSS-UHFFFAOYSA-N -1 3 344.810 2.121 20 30 EEEDHM CC(C)CCN(CCC#N)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001589600410 1349008201 /nfs/dbraw/zinc/00/82/01/1349008201.db2.gz HXEFNQSOKKBQCE-UHFFFAOYSA-N -1 3 347.810 2.317 20 30 EEEDHM CC(C)CCN(CCC#N)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001589600410 1349008206 /nfs/dbraw/zinc/00/82/06/1349008206.db2.gz HXEFNQSOKKBQCE-UHFFFAOYSA-N -1 3 347.810 2.317 20 30 EEEDHM C[C@H](NC(=O)NCC(C)(C)CC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001589935242 1349069242 /nfs/dbraw/zinc/06/92/42/1349069242.db2.gz WLWQWOFYRMIPQR-NSHDSACASA-N -1 3 327.392 2.167 20 30 EEEDHM C[C@H](NC(=O)NCC(C)(C)CC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001589935242 1349069250 /nfs/dbraw/zinc/06/92/50/1349069250.db2.gz WLWQWOFYRMIPQR-NSHDSACASA-N -1 3 327.392 2.167 20 30 EEEDHM C[C@@H](Nc1nc2c(cc1C#N)COCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC001589992422 1349098134 /nfs/dbraw/zinc/09/81/34/1349098134.db2.gz VLSBRDICPFOPBJ-LLVKDONJSA-N -1 3 347.382 2.379 20 30 EEEDHM C[C@@H](Nc1nc2c(cc1C#N)COCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC001589992422 1349098139 /nfs/dbraw/zinc/09/81/39/1349098139.db2.gz VLSBRDICPFOPBJ-LLVKDONJSA-N -1 3 347.382 2.379 20 30 EEEDHM C[C@@H](Oc1ccccc1C#N)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001590031616 1349118357 /nfs/dbraw/zinc/11/83/57/1349118357.db2.gz RNFWNZJHLZZZOI-LLVKDONJSA-N -1 3 335.323 2.111 20 30 EEEDHM C[C@@H](Oc1ccccc1C#N)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001590031616 1349118361 /nfs/dbraw/zinc/11/83/61/1349118361.db2.gz RNFWNZJHLZZZOI-LLVKDONJSA-N -1 3 335.323 2.111 20 30 EEEDHM CCc1nn(C)c(CC)c1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590928674 1349415876 /nfs/dbraw/zinc/41/58/76/1349415876.db2.gz BPSJRENWIFLZQN-UHFFFAOYSA-N -1 3 336.403 2.209 20 30 EEEDHM CCc1nn(C)c(CC)c1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590928674 1349415884 /nfs/dbraw/zinc/41/58/84/1349415884.db2.gz BPSJRENWIFLZQN-UHFFFAOYSA-N -1 3 336.403 2.209 20 30 EEEDHM CN(CC(C)(C)C#N)C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001591038866 1349432801 /nfs/dbraw/zinc/43/28/01/1349432801.db2.gz AKDOJQAPAZNXTQ-UHFFFAOYSA-N -1 3 342.403 2.032 20 30 EEEDHM CN(CC(C)(C)C#N)C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001591038866 1349432813 /nfs/dbraw/zinc/43/28/13/1349432813.db2.gz AKDOJQAPAZNXTQ-UHFFFAOYSA-N -1 3 342.403 2.032 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1NC(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC001591491289 1349491638 /nfs/dbraw/zinc/49/16/38/1349491638.db2.gz CFHCMGHIYOCVBL-YPMHNXCESA-N -1 3 341.375 2.031 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1NC(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC001591491289 1349491647 /nfs/dbraw/zinc/49/16/47/1349491647.db2.gz CFHCMGHIYOCVBL-YPMHNXCESA-N -1 3 341.375 2.031 20 30 EEEDHM COc1cc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)ccc1-c1nnn[n-]1 ZINC001591512301 1349494755 /nfs/dbraw/zinc/49/47/55/1349494755.db2.gz BJNCVNUUWUNVQH-DIFFPNOSSA-N -1 3 340.387 2.078 20 30 EEEDHM COc1cc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)ccc1-c1nn[n-]n1 ZINC001591512301 1349494759 /nfs/dbraw/zinc/49/47/59/1349494759.db2.gz BJNCVNUUWUNVQH-DIFFPNOSSA-N -1 3 340.387 2.078 20 30 EEEDHM Cn1c(CNc2c(C#N)cccc2-c2nnn[n-]2)nc2ccccc21 ZINC001592552537 1349656396 /nfs/dbraw/zinc/65/63/96/1349656396.db2.gz HPVLLLHGQBQEHR-UHFFFAOYSA-N -1 3 330.355 2.237 20 30 EEEDHM Cn1c(CNc2c(C#N)cccc2-c2nn[n-]n2)nc2ccccc21 ZINC001592552537 1349656397 /nfs/dbraw/zinc/65/63/97/1349656397.db2.gz HPVLLLHGQBQEHR-UHFFFAOYSA-N -1 3 330.355 2.237 20 30 EEEDHM N#Cc1cc(F)cc(NC(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)c1 ZINC001592689543 1349707031 /nfs/dbraw/zinc/70/70/31/1349707031.db2.gz JYSLBJCJRYTRJN-UHFFFAOYSA-N -1 3 349.329 2.425 20 30 EEEDHM N#Cc1cc(F)cc(NC(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)c1 ZINC001592689543 1349707035 /nfs/dbraw/zinc/70/70/35/1349707035.db2.gz JYSLBJCJRYTRJN-UHFFFAOYSA-N -1 3 349.329 2.425 20 30 EEEDHM C#C[C@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001602688261 1350573692 /nfs/dbraw/zinc/57/36/92/1350573692.db2.gz IIUOAAGADZDQOC-INIZCTEOSA-N -1 3 341.415 2.190 20 30 EEEDHM C#C[C@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001602688261 1350573697 /nfs/dbraw/zinc/57/36/97/1350573697.db2.gz IIUOAAGADZDQOC-INIZCTEOSA-N -1 3 341.415 2.190 20 30 EEEDHM C=C(C)CCC(=O)NCC[C@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001602759278 1350583056 /nfs/dbraw/zinc/58/30/56/1350583056.db2.gz DERICGFHQCVRAN-ZDUSSCGKSA-N -1 3 343.435 2.233 20 30 EEEDHM C=C(C)CCC(=O)NCC[C@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001602759278 1350583059 /nfs/dbraw/zinc/58/30/59/1350583059.db2.gz DERICGFHQCVRAN-ZDUSSCGKSA-N -1 3 343.435 2.233 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001602800738 1350588557 /nfs/dbraw/zinc/58/85/57/1350588557.db2.gz OLXDJYQYAPDEOT-STQMWFEESA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001602800738 1350588559 /nfs/dbraw/zinc/58/85/59/1350588559.db2.gz OLXDJYQYAPDEOT-STQMWFEESA-N -1 3 343.435 2.123 20 30 EEEDHM C=CCCCC(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C[C@@H]1C ZINC001602831686 1350593353 /nfs/dbraw/zinc/59/33/53/1350593353.db2.gz FAPZKBNYGNOGKX-GXTWGEPZSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCCC(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C[C@@H]1C ZINC001602831686 1350593360 /nfs/dbraw/zinc/59/33/60/1350593360.db2.gz FAPZKBNYGNOGKX-GXTWGEPZSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCCN(CC)C(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602839969 1350594303 /nfs/dbraw/zinc/59/43/03/1350594303.db2.gz OAVXDNJUXCLOBO-MRXNPFEDSA-N -1 3 338.415 2.364 20 30 EEEDHM C=CCCCN(CC)C(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602839968 1350594637 /nfs/dbraw/zinc/59/46/37/1350594637.db2.gz OAVXDNJUXCLOBO-INIZCTEOSA-N -1 3 338.415 2.364 20 30 EEEDHM C=CCCCNC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001602840335 1350594874 /nfs/dbraw/zinc/59/48/74/1350594874.db2.gz WUNDLARHTWRTIC-OAHLLOKOSA-N -1 3 329.404 2.353 20 30 EEEDHM C=CCCCNC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001602840335 1350594877 /nfs/dbraw/zinc/59/48/77/1350594877.db2.gz WUNDLARHTWRTIC-OAHLLOKOSA-N -1 3 329.404 2.353 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(OC)o1 ZINC001602858425 1350597188 /nfs/dbraw/zinc/59/71/88/1350597188.db2.gz PYDUENRGXSLZHO-UHFFFAOYSA-N -1 3 339.355 2.297 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(OC)o1 ZINC001602858425 1350597193 /nfs/dbraw/zinc/59/71/93/1350597193.db2.gz PYDUENRGXSLZHO-UHFFFAOYSA-N -1 3 339.355 2.297 20 30 EEEDHM C=CCn1c(Cc2cccc(-c3nnn[n-]3)c2)nnc1N1CC=CCC1 ZINC001602879526 1350600408 /nfs/dbraw/zinc/60/04/08/1350600408.db2.gz JDZWROOPMZVFFQ-UHFFFAOYSA-N -1 3 348.414 2.001 20 30 EEEDHM C=CCn1c(Cc2cccc(-c3nn[n-]n3)c2)nnc1N1CC=CCC1 ZINC001602879526 1350600411 /nfs/dbraw/zinc/60/04/11/1350600411.db2.gz JDZWROOPMZVFFQ-UHFFFAOYSA-N -1 3 348.414 2.001 20 30 EEEDHM C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001603138893 1350648306 /nfs/dbraw/zinc/64/83/06/1350648306.db2.gz XHBAAZTZTBNTTB-FMKPAKJESA-N -1 3 329.400 2.117 20 30 EEEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H]1CC[C@H](C#N)C1 ZINC001603576940 1350723181 /nfs/dbraw/zinc/72/31/81/1350723181.db2.gz DNSDIULUNMFEPE-ZLDLUXBVSA-N -1 3 325.372 2.281 20 30 EEEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CC[C@H](C#N)C1 ZINC001603576940 1350723187 /nfs/dbraw/zinc/72/31/87/1350723187.db2.gz DNSDIULUNMFEPE-ZLDLUXBVSA-N -1 3 325.372 2.281 20 30 EEEDHM C[C@@H]1Oc2ccc(Nc3c(C#N)cccc3-c3nnn[n-]3)cc2NC1=O ZINC001603955125 1350813668 /nfs/dbraw/zinc/81/36/68/1350813668.db2.gz LUWXMBCCOMNMPD-VIFPVBQESA-N -1 3 347.338 2.201 20 30 EEEDHM C[C@@H]1Oc2ccc(Nc3c(C#N)cccc3-c3nn[n-]n3)cc2NC1=O ZINC001603955125 1350813671 /nfs/dbraw/zinc/81/36/71/1350813671.db2.gz LUWXMBCCOMNMPD-VIFPVBQESA-N -1 3 347.338 2.201 20 30 EEEDHM CCc1cc(C#N)ccc1OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001604511278 1350952536 /nfs/dbraw/zinc/95/25/36/1350952536.db2.gz VYIXHWSLSNPEOH-UHFFFAOYSA-N -1 3 348.366 2.318 20 30 EEEDHM CCc1cc(C#N)ccc1OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001604511278 1350952538 /nfs/dbraw/zinc/95/25/38/1350952538.db2.gz VYIXHWSLSNPEOH-UHFFFAOYSA-N -1 3 348.366 2.318 20 30 EEEDHM COc1cc(C#N)ccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001605191159 1351099315 /nfs/dbraw/zinc/09/93/15/1351099315.db2.gz HGGFTLJPMNMFFK-CLFYSBASSA-N -1 3 346.350 2.399 20 30 EEEDHM COc1cc(C#N)ccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001605191159 1351099318 /nfs/dbraw/zinc/09/93/18/1351099318.db2.gz HGGFTLJPMNMFFK-CLFYSBASSA-N -1 3 346.350 2.399 20 30 EEEDHM COc1cc(C#N)ccc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC001605191162 1351099490 /nfs/dbraw/zinc/09/94/90/1351099490.db2.gz HKYAEEQASOTTPT-UHFFFAOYSA-N -1 3 336.355 2.238 20 30 EEEDHM COc1cc(C#N)ccc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC001605191162 1351099492 /nfs/dbraw/zinc/09/94/92/1351099492.db2.gz HKYAEEQASOTTPT-UHFFFAOYSA-N -1 3 336.355 2.238 20 30 EEEDHM CSc1ccc(CNC(=O)CC(C)(C)C#N)cc1-c1nnn[n-]1 ZINC001605386932 1351151384 /nfs/dbraw/zinc/15/13/84/1351151384.db2.gz UTNHJDZGTWOKBE-UHFFFAOYSA-N -1 3 330.417 2.145 20 30 EEEDHM CSc1ccc(CNC(=O)CC(C)(C)C#N)cc1-c1nn[n-]n1 ZINC001605386932 1351151386 /nfs/dbraw/zinc/15/13/86/1351151386.db2.gz UTNHJDZGTWOKBE-UHFFFAOYSA-N -1 3 330.417 2.145 20 30 EEEDHM Cc1cc(C#N)ccc1CSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC001605588845 1351195655 /nfs/dbraw/zinc/19/56/55/1351195655.db2.gz KQQBPKUHOMDFJW-UHFFFAOYSA-N -1 3 348.395 2.188 20 30 EEEDHM Cc1cc(C#N)ccc1CSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC001605588845 1351195657 /nfs/dbraw/zinc/19/56/57/1351195657.db2.gz KQQBPKUHOMDFJW-UHFFFAOYSA-N -1 3 348.395 2.188 20 30 EEEDHM N#C[C@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001606346094 1351295935 /nfs/dbraw/zinc/29/59/35/1351295935.db2.gz VKFDBMRNIZLDNZ-SECBINFHSA-N -1 3 331.767 2.288 20 30 EEEDHM N#C[C@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001606346094 1351295939 /nfs/dbraw/zinc/29/59/39/1351295939.db2.gz VKFDBMRNIZLDNZ-SECBINFHSA-N -1 3 331.767 2.288 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@H](CCO)Cc1ccccc1 ZINC001606379809 1351299118 /nfs/dbraw/zinc/29/91/18/1351299118.db2.gz MSLJMIPJBKRHGM-OAHLLOKOSA-N -1 3 334.383 2.144 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@H](CCO)Cc1ccccc1 ZINC001606379809 1351299120 /nfs/dbraw/zinc/29/91/20/1351299120.db2.gz MSLJMIPJBKRHGM-OAHLLOKOSA-N -1 3 334.383 2.144 20 30 EEEDHM N#Cc1ccnc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC001606389890 1351300496 /nfs/dbraw/zinc/30/04/96/1351300496.db2.gz ZLKMFMULNBEBJJ-UHFFFAOYSA-N -1 3 340.730 2.144 20 30 EEEDHM N#Cc1ccnc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC001606389890 1351300499 /nfs/dbraw/zinc/30/04/99/1351300499.db2.gz ZLKMFMULNBEBJJ-UHFFFAOYSA-N -1 3 340.730 2.144 20 30 EEEDHM c1cc2c(cc1-c1nnn[n-]1)CCCCC2=NN[C@@H]1CCCOC1 ZINC001607123415 1351428144 /nfs/dbraw/zinc/42/81/44/1351428144.db2.gz JJCIUPXNQHAOEY-CQSZACIVSA-N -1 3 326.404 2.066 20 30 EEEDHM c1cc2c(cc1-c1nn[n-]n1)CCCCC2=NN[C@@H]1CCCOC1 ZINC001607123415 1351428146 /nfs/dbraw/zinc/42/81/46/1351428146.db2.gz JJCIUPXNQHAOEY-CQSZACIVSA-N -1 3 326.404 2.066 20 30 EEEDHM Cn1cc(CN2CCCN(c3ccccc3C#N)CC2)cc1C(=O)[O-] ZINC001608112102 1351628071 /nfs/dbraw/zinc/62/80/71/1351628071.db2.gz HIVAWUBZALHLOL-UHFFFAOYSA-N -1 3 338.411 2.307 20 30 EEEDHM CCCCCCCCCCS(=O)(=O)Nc1cnc(C)[n-]c1=O ZINC001201836941 1368852952 /nfs/dbraw/zinc/85/29/52/1368852952.db2.gz KRZAGGQCXUOJOX-CQSZACIVSA-N -1 3 329.466 2.445 20 30 EEEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ncccc1OCc1ccccc1 ZINC001201898897 1368855156 /nfs/dbraw/zinc/85/51/56/1368855156.db2.gz LJLJHNVUWDXJHY-AWEZNQCLSA-N -1 3 331.397 2.241 20 30 EEEDHM C=C(Cl)CNCc1cc(=O)[n-]c(CNC(=O)CCC(C)C)n1 ZINC001489070837 1369123414 /nfs/dbraw/zinc/12/34/14/1369123414.db2.gz MEKVNFHQQXZAMC-UHFFFAOYSA-N -1 3 326.828 2.077 20 30 EEEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@H]1CSC ZINC001122479156 1372021123 /nfs/dbraw/zinc/02/11/23/1372021123.db2.gz QBGAHIDDWYXHJT-LBPRGKRZSA-N -1 3 346.460 2.349 20 30 EEEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn2c1CCC2 ZINC001342721537 1372950515 /nfs/dbraw/zinc/95/05/15/1372950515.db2.gz GSDFHIIEHNEYNM-LBPRGKRZSA-N -1 3 338.367 2.189 20 30 EEEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1C[C@@H](CC)O[C@@H](C)C1 ZINC001356381159 1373198807 /nfs/dbraw/zinc/19/88/07/1373198807.db2.gz KRZPMNIXYVPASX-QWHCGFSZSA-N -1 3 344.419 2.021 20 30 EEEDHM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)CC#Cc1ccc(F)cc1 ZINC001755297521 1407301108 /nfs/dbraw/zinc/30/11/08/1407301108.db2.gz YJCDFDDRJVJDOL-AWEZNQCLSA-N -1 3 341.386 2.028 20 30 EEEDHM N#CC[C@@H]1CCCN(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)C1 ZINC001592673920 1404712117 /nfs/dbraw/zinc/71/21/17/1404712117.db2.gz TVIWVQJTYYQEJZ-JTQLQIEISA-N -1 3 329.339 2.163 20 30 EEEDHM N#CC[C@@H]1CCCN(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)C1 ZINC001592673920 1404712125 /nfs/dbraw/zinc/71/21/25/1404712125.db2.gz TVIWVQJTYYQEJZ-JTQLQIEISA-N -1 3 329.339 2.163 20 30 EEEDHM N#CCc1ccsc1C(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001592680714 1404713391 /nfs/dbraw/zinc/71/33/91/1404713391.db2.gz FUUBNXWIBUMJGH-UHFFFAOYSA-N -1 3 336.380 2.150 20 30 EEEDHM N#CCc1ccsc1C(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001592680714 1404713399 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CN1CCN(c2ccccc2NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000785403552 781547749 /nfs/dbraw/zinc/54/77/49/781547749.db2.gz KAMSCMDTMLKZDT-UHFFFAOYSA-N -1 3 336.395 2.268 20 30 EEEDHM N#CCCCn1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)c2ccccc21 ZINC000816759519 784247464 /nfs/dbraw/zinc/24/74/64/784247464.db2.gz OCKRTLXTIKNWES-OAHLLOKOSA-N -1 3 340.383 2.055 20 30 EEEDHM C[C@H]1CCCN(C(=O)C#CC2CC2)[C@@H]1CNC(=O)c1ccccc1[O-] ZINC000945776346 784815467 /nfs/dbraw/zinc/81/54/67/784815467.db2.gz KKAJWTZLFUDSKH-WMLDXEAASA-N -1 3 340.423 2.163 20 30 EEEDHM CC(C)COc1ccc(C(C)(C)C(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000820476597 785939482 /nfs/dbraw/zinc/93/94/82/785939482.db2.gz NJDHNIBBVIPQJX-INIZCTEOSA-N -1 3 348.443 2.495 20 30 EEEDHM C#CCN1CCC(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CC1 ZINC000910301464 786628185 /nfs/dbraw/zinc/62/81/85/786628185.db2.gz NPPBEFMOGPMYOX-DLBZAZTESA-N -1 3 326.396 2.158 20 30 EEEDHM CC(C)C#CC(=O)NC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001062015514 787222428 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C[C@H](CC(=O)OCC1=CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000790826704 808945021 /nfs/dbraw/zinc/94/50/21/808945021.db2.gz SGHGDBZOPSQHEH-GFCCVEGCSA-N -1 3 348.424 2.157 20 30 EEEDHM C=C(C)CN(CC)C(=O)COC(=O)c1n[n-]c2c1cccc2OC ZINC000808677341 812809000 /nfs/dbraw/zinc/80/90/00/812809000.db2.gz VOIGYLDBMXBQKK-UHFFFAOYSA-N -1 3 331.372 2.153 20 30 EEEDHM C=C(C)CN(CC)C(=O)COC(=O)c1[n-]nc2c1cccc2OC ZINC000808677341 812809011 /nfs/dbraw/zinc/80/90/11/812809011.db2.gz VOIGYLDBMXBQKK-UHFFFAOYSA-N -1 3 331.372 2.153 20 30 EEEDHM C#CCOc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)c(OC)c2)c1 ZINC001573287935 946852871 /nfs/dbraw/zinc/85/28/71/946852871.db2.gz GZNZFJPMEXXATF-UHFFFAOYSA-N -1 3 349.350 2.140 20 30 EEEDHM C#CCOc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)c(OC)c2)c1 ZINC001573287935 946852879 /nfs/dbraw/zinc/85/28/79/946852879.db2.gz GZNZFJPMEXXATF-UHFFFAOYSA-N -1 3 349.350 2.140 20 30 EEEDHM C=CCC(C)(C)C(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573318887 947317451 /nfs/dbraw/zinc/31/74/51/947317451.db2.gz GQHIDDNWSRWNIP-LBPRGKRZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCC(C)(C)C(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573318887 947317464 /nfs/dbraw/zinc/31/74/64/947317464.db2.gz GQHIDDNWSRWNIP-LBPRGKRZSA-N -1 3 343.435 2.171 20 30 EEEDHM N#C[C@@H](C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc2ccccc2n1 ZINC000826379682 948173876 /nfs/dbraw/zinc/17/38/76/948173876.db2.gz YPVGLUYKKOGLMG-GFCCVEGCSA-N -1 3 329.323 2.233 20 30 EEEDHM N#CC1(COC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826379769 948174187 /nfs/dbraw/zinc/17/41/87/948174187.db2.gz ASRFZCRGMSCHIV-UHFFFAOYSA-N -1 3 341.371 2.263 20 30 EEEDHM N#CC1(COC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826379769 948174193 /nfs/dbraw/zinc/17/41/93/948174193.db2.gz ASRFZCRGMSCHIV-UHFFFAOYSA-N -1 3 341.371 2.263 20 30 EEEDHM C#CCC1(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)CCOCC1 ZINC001588392349 958032556 /nfs/dbraw/zinc/03/25/56/958032556.db2.gz YFSICLUJSJDZJP-UHFFFAOYSA-N -1 3 346.427 2.243 20 30 EEEDHM CCN(CC)c1ccc(/C=[NH+]\C[C@H](C(=O)[O-])[C@H]2CCOC2)c([O-])c1 ZINC001596289110 983709032 /nfs/dbraw/zinc/70/90/32/983709032.db2.gz FENBYGBSNKHLCD-FZOLNMOVSA-N -1 3 334.416 2.395 20 30 EEEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1C[C@@H](CC)O[C@@H](C)C1 ZINC001515689906 1118982095 /nfs/dbraw/zinc/98/20/95/1118982095.db2.gz DLUMLLVZEZEPMH-NWDGAFQWSA-N -1 3 333.392 2.219 20 30 EEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000116802243 237191152 /nfs/dbraw/zinc/19/11/52/237191152.db2.gz KVOTZFRGCBKZSR-BLVKFPJESA-N -1 3 340.427 2.385 20 30 EEEDHM CC(C)[C@@H](CO)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(C)C ZINC000451835766 243289038 /nfs/dbraw/zinc/28/90/38/243289038.db2.gz ADQVMZBNEMTJBY-OCCSQVGLSA-N -1 3 330.475 2.187 20 30 EEEDHM COC(=O)Nc1ccc(CCN=Cc2c([O-])c(C)ncc2CO)cc1 ZINC000491406390 246021312 /nfs/dbraw/zinc/02/13/12/246021312.db2.gz QWKFEDCTMMKBQH-GRSHGNNSSA-N -1 3 343.383 2.428 20 30 EEEDHM C#C[C@H]1COCCN1Cn1[n-]c(-c2cc(F)cc(F)c2)nc1=S ZINC000491776333 246147018 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Cc1ccc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)o2)cc1[N+](=O)[O-] ZINC000344185166 161205329 /nfs/dbraw/zinc/20/53/29/161205329.db2.gz CHMLOVLNGKYFMW-JTQLQIEISA-N -1 3 335.341 2.407 20 30 EEEDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2cc(C#N)c3ccccc3n2)o1 ZINC000345004210 161263209 /nfs/dbraw/zinc/26/32/09/161263209.db2.gz DBQMSJUJPQCNBS-UHFFFAOYSA-N -1 3 341.348 2.355 20 30 EEEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000355498369 163211009 /nfs/dbraw/zinc/21/10/09/163211009.db2.gz AYMSGGWSHUZZOO-UHFFFAOYSA-N -1 3 349.343 2.127 20 30 EEEDHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)OC ZINC000355621066 163252112 /nfs/dbraw/zinc/25/21/12/163252112.db2.gz RAVBNJYVVNONMQ-NOZJJQNGSA-N -1 3 344.820 2.078 20 30 EEEDHM CCOC(=O)c1ccc(NC(=O)COc2ccc(C#N)cc2)c([O-])c1 ZINC000356290663 163393946 /nfs/dbraw/zinc/39/39/46/163393946.db2.gz HCFJQBCXFKGQSJ-UHFFFAOYSA-N -1 3 340.335 2.458 20 30 EEEDHM COc1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)nc1 ZINC000443948367 270020722 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C[C@H](C#N)N(C)C(=O)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153876721 1316907052 /nfs/dbraw/zinc/90/70/52/1316907052.db2.gz FHJATXHYTOAXLQ-MRVPVSSYSA-N -1 3 334.173 2.275 20 30 EEEDHM COc1ccc(C#N)cc1NC(=O)c1ccc2c(=O)[n-][nH]c(=O)c2c1 ZINC001154317977 1317069201 /nfs/dbraw/zinc/06/92/01/1317069201.db2.gz AGIHKIPKMOTEIJ-UHFFFAOYSA-N -1 3 336.307 2.174 20 30 EEEDHM COc1ccc(C#N)cc1NC(=O)c1ccc2c(c1)c(=O)[n-][nH]c2=O ZINC001154317977 1317069208 /nfs/dbraw/zinc/06/92/08/1317069208.db2.gz AGIHKIPKMOTEIJ-UHFFFAOYSA-N -1 3 336.307 2.174 20 30 EEEDHM COC(=O)c1cc([N-]S(=O)(=O)Cc2ccccc2)ccc1C#N ZINC001252888892 1317713364 /nfs/dbraw/zinc/71/33/64/1317713364.db2.gz QQEWHROEULMTIB-UHFFFAOYSA-N -1 3 330.365 2.287 20 30 EEEDHM C=CCOC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)Cc1ccccc1 ZINC001252911615 1317721066 /nfs/dbraw/zinc/72/10/66/1317721066.db2.gz JHDNRIJLCAIPLB-HNNXBMFYSA-N -1 3 325.430 2.250 20 30 EEEDHM N#Cc1cc2cccnc2nc1[N-]C(=O)c1cc2n[nH]nc2cc1F ZINC001156073071 1317863909 /nfs/dbraw/zinc/86/39/09/1317863909.db2.gz YRYWKNCDSHPHBV-UHFFFAOYSA-N -1 3 333.286 2.164 20 30 EEEDHM COc1ccc2c(C(=O)N([O-])C(=N)c3ccccc3N)c[nH]c2n1 ZINC001157095793 1318399865 /nfs/dbraw/zinc/39/98/65/1318399865.db2.gz LBGOQUYYNQTFMU-UHFFFAOYSA-N -1 3 325.328 2.011 20 30 EEEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccnc(N3CCCC3)c2)ccc1F ZINC001259412851 1319559866 /nfs/dbraw/zinc/55/98/66/1319559866.db2.gz KGLBYEXAATVMRU-UHFFFAOYSA-N -1 3 346.387 2.493 20 30 EEEDHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]CC(C)(C)S ZINC001261062415 1322007104 /nfs/dbraw/zinc/00/71/04/1322007104.db2.gz GXJPCIGWARBUOL-UHFFFAOYSA-N -1 3 343.879 2.175 20 30 EEEDHM C=C(C)Cn1c(CCc2nnn[n-]2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001263338208 1322464661 /nfs/dbraw/zinc/46/46/61/1322464661.db2.gz HTLOFHHYDBGDSH-CYBMUJFWSA-N -1 3 344.467 2.025 20 30 EEEDHM C=C(C)Cn1c(CCc2nn[n-]n2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001263338208 1322464665 /nfs/dbraw/zinc/46/46/65/1322464665.db2.gz HTLOFHHYDBGDSH-CYBMUJFWSA-N -1 3 344.467 2.025 20 30 EEEDHM C=CCONC(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001602869076 1350598273 /nfs/dbraw/zinc/59/82/73/1350598273.db2.gz AMNWTBGAZPGIDO-UHFFFAOYSA-N -1 3 332.364 2.283 20 30 EEEDHM C=CCONC(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001602869076 1350598275 /nfs/dbraw/zinc/59/82/75/1350598275.db2.gz AMNWTBGAZPGIDO-UHFFFAOYSA-N -1 3 332.364 2.283 20 30 EEEDHM C#CCN(CC)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1[C@H]1C[C@@H]1C ZINC001602717805 1350577082 /nfs/dbraw/zinc/57/70/82/1350577082.db2.gz CBBYEYAVNVRHSG-WFASDCNBSA-N -1 3 348.414 2.166 20 30 EEEDHM C#CCN(CC)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1[C@H]1C[C@@H]1C ZINC001602717805 1350577083 /nfs/dbraw/zinc/57/70/83/1350577083.db2.gz CBBYEYAVNVRHSG-WFASDCNBSA-N -1 3 348.414 2.166 20 30 EEEDHM CCCCCCN([O-])C(=O)[C@H](C)NC(=O)c1[nH]nc2ccccc21 ZINC001306897114 1331496051 /nfs/dbraw/zinc/49/60/51/1331496051.db2.gz ZFUMVXCTONEHQW-LBPRGKRZSA-N -1 3 332.404 2.479 20 30 EEEDHM C=CCN1C(=O)C(=Cc2cccc(-c3nnn[n-]3)c2)SC1=S ZINC001609057281 1351826430 /nfs/dbraw/zinc/82/64/30/1351826430.db2.gz IWRGJFUCGIXIEM-FLIBITNWSA-N -1 3 329.410 2.254 20 30 EEEDHM C=CCN1C(=O)C(=Cc2cccc(-c3nn[n-]n3)c2)SC1=S ZINC001609057281 1351826435 /nfs/dbraw/zinc/82/64/35/1351826435.db2.gz IWRGJFUCGIXIEM-FLIBITNWSA-N -1 3 329.410 2.254 20 30 EEEDHM Cc1cc(N=NC(C)c2ccc(-c3nn[n-]n3)cc2Cl)ncn1 ZINC001609061267 1351827376 /nfs/dbraw/zinc/82/73/76/1351827376.db2.gz RMPSPYRXSVOHKJ-UHFFFAOYSA-N -1 3 328.767 2.455 20 30 EEEDHM C[C@@H](NC(=O)c1ccccc1OCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001609121617 1351851221 /nfs/dbraw/zinc/85/12/21/1351851221.db2.gz AOTHQGSBMDOAQP-GFCCVEGCSA-N -1 3 348.366 2.260 20 30 EEEDHM C[C@@H](NC(=O)c1ccccc1OCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001609121617 1351851225 /nfs/dbraw/zinc/85/12/25/1351851225.db2.gz AOTHQGSBMDOAQP-GFCCVEGCSA-N -1 3 348.366 2.260 20 30 EEEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1c(C)cnn1C ZINC001325847968 1333974074 /nfs/dbraw/zinc/97/40/74/1333974074.db2.gz YOBCXMMOFVOXOV-UHFFFAOYSA-N -1 3 343.412 2.082 20 30 EEEDHM COc1cc(OC(=O)c2cccc(C#N)c2C)ccc1-c1nnn[n-]1 ZINC001609347115 1351940838 /nfs/dbraw/zinc/94/08/38/1351940838.db2.gz HIWHHHWNONGSJD-UHFFFAOYSA-N -1 3 335.323 2.275 20 30 EEEDHM COc1cc(OC(=O)c2cccc(C#N)c2C)ccc1-c1nn[n-]n1 ZINC001609347115 1351940840 /nfs/dbraw/zinc/94/08/40/1351940840.db2.gz HIWHHHWNONGSJD-UHFFFAOYSA-N -1 3 335.323 2.275 20 30 EEEDHM CC#CC[C@H](NCc1cn2ccc(Br)cc2n1)C(=O)[O-] ZINC001332485979 1335833153 /nfs/dbraw/zinc/83/31/53/1335833153.db2.gz NNECXWINOMPODG-LBPRGKRZSA-N -1 3 336.189 2.053 20 30 EEEDHM O=C1C(=Cc2nc(-c3nnn[n-]3)cs2)CCc2cc(O)ccc21 ZINC001609585800 1352028514 /nfs/dbraw/zinc/02/85/14/1352028514.db2.gz FVIPMFPTXNBDDS-TWGQIWQCSA-N -1 3 325.353 2.241 20 30 EEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1C[C@H](CC)O[C@@H](CC)C1 ZINC001339014168 1336945016 /nfs/dbraw/zinc/94/50/16/1336945016.db2.gz DNTMYEZVLSKNHE-RYUDHWBXSA-N -1 3 333.392 2.219 20 30 EEEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1C[C@@H](CC)O[C@H](CC)C1 ZINC001339607283 1337036563 /nfs/dbraw/zinc/03/65/63/1337036563.db2.gz TXZXMXFSTOTHHB-CHWSQXEVSA-N -1 3 344.419 2.021 20 30 EEEDHM C=CCn1c(CCc2nnn[n-]2)nnc1N1CCC[C@H]1[C@H](C)CCC ZINC001340359246 1337167933 /nfs/dbraw/zinc/16/79/33/1337167933.db2.gz QREUPJZAKGQYFX-KGLIPLIRSA-N -1 3 344.467 2.167 20 30 EEEDHM C=CCn1c(CCc2nn[n-]n2)nnc1N1CCC[C@H]1[C@H](C)CCC ZINC001340359246 1337167936 /nfs/dbraw/zinc/16/79/36/1337167936.db2.gz QREUPJZAKGQYFX-KGLIPLIRSA-N -1 3 344.467 2.167 20 30 EEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCc2ccccc2CC1 ZINC001340380115 1337172873 /nfs/dbraw/zinc/17/28/73/1337172873.db2.gz NEEMBSLCNAYTCF-UHFFFAOYSA-N -1 3 337.383 2.430 20 30 EEEDHM COc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1C ZINC001579988754 1344444027 /nfs/dbraw/zinc/44/40/27/1344444027.db2.gz QKXPMPCEASXDPN-UHFFFAOYSA-N -1 3 334.339 2.308 20 30 EEEDHM COc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1C ZINC001579988754 1344444029 /nfs/dbraw/zinc/44/40/29/1344444029.db2.gz QKXPMPCEASXDPN-UHFFFAOYSA-N -1 3 334.339 2.308 20 30 EEEDHM N#CCc1cccc(C(=O)N2Cc3cccc(-c4nnn[n-]4)c3C2)c1 ZINC001581859642 1344680544 /nfs/dbraw/zinc/68/05/44/1344680544.db2.gz NLHPGTMYHSEVMI-UHFFFAOYSA-N -1 3 330.351 2.089 20 30 EEEDHM N#CCc1cccc(C(=O)N2Cc3cccc(-c4nn[n-]n4)c3C2)c1 ZINC001581859642 1344680547 /nfs/dbraw/zinc/68/05/47/1344680547.db2.gz NLHPGTMYHSEVMI-UHFFFAOYSA-N -1 3 330.351 2.089 20 30 EEEDHM N#Cc1c2ccccc2[nH]c1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001581860830 1344680618 /nfs/dbraw/zinc/68/06/18/1344680618.db2.gz VDLIWOKXDVZJSP-UHFFFAOYSA-N -1 3 343.350 2.150 20 30 EEEDHM N#Cc1c2ccccc2[nH]c1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001581860830 1344680624 /nfs/dbraw/zinc/68/06/24/1344680624.db2.gz VDLIWOKXDVZJSP-UHFFFAOYSA-N -1 3 343.350 2.150 20 30 EEEDHM C#C[C@@H](CC)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC001588326662 1348886228 /nfs/dbraw/zinc/88/62/28/1348886228.db2.gz RNGOXJHCQZERJQ-JTQLQIEISA-N -1 3 342.428 2.003 20 30 EEEDHM C#C[C@H](Nc1nnccc1-c1nnn[n-]1)c1ccc(Cl)cc1F ZINC001588328886 1348887833 /nfs/dbraw/zinc/88/78/33/1348887833.db2.gz SNYXNBYZIWJUNH-LBPRGKRZSA-N -1 3 329.726 2.236 20 30 EEEDHM C#C[C@H](Nc1nnccc1-c1nn[n-]n1)c1ccc(Cl)cc1F ZINC001588328886 1348887834 /nfs/dbraw/zinc/88/78/34/1348887834.db2.gz SNYXNBYZIWJUNH-LBPRGKRZSA-N -1 3 329.726 2.236 20 30 EEEDHM C#C[C@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001588329413 1348887840 /nfs/dbraw/zinc/88/78/40/1348887840.db2.gz GBMKSMRWDMWTMK-AWEZNQCLSA-N -1 3 326.404 2.056 20 30 EEEDHM C#C[C@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001588329413 1348887841 /nfs/dbraw/zinc/88/78/41/1348887841.db2.gz GBMKSMRWDMWTMK-AWEZNQCLSA-N -1 3 326.404 2.056 20 30 EEEDHM C#C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Br)c1)[C@H]1CCCO1 ZINC001588329021 1348888693 /nfs/dbraw/zinc/88/86/93/1348888693.db2.gz WHMDALRBHACMDD-CHWSQXEVSA-N -1 3 348.204 2.222 20 30 EEEDHM C#C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Br)c1)[C@H]1CCCO1 ZINC001588329021 1348888697 /nfs/dbraw/zinc/88/86/97/1348888697.db2.gz WHMDALRBHACMDD-CHWSQXEVSA-N -1 3 348.204 2.222 20 30 EEEDHM C#C[C@H]1CCCCN1C(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588332818 1348891682 /nfs/dbraw/zinc/89/16/82/1348891682.db2.gz SSGGSPFWPOLLQF-LBPRGKRZSA-N -1 3 344.806 2.217 20 30 EEEDHM C#C[C@H]1CCCCN1C(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588332818 1348891686 /nfs/dbraw/zinc/89/16/86/1348891686.db2.gz SSGGSPFWPOLLQF-LBPRGKRZSA-N -1 3 344.806 2.217 20 30 EEEDHM C#CCC[C@H](O)CNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F ZINC001588336704 1348892091 /nfs/dbraw/zinc/89/20/91/1348892091.db2.gz DPXUIMJEBUFZFA-JTQLQIEISA-N -1 3 325.294 2.072 20 30 EEEDHM C#CCC[C@H](O)CNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC001588336704 1348892097 /nfs/dbraw/zinc/89/20/97/1348892097.db2.gz DPXUIMJEBUFZFA-JTQLQIEISA-N -1 3 325.294 2.072 20 30 EEEDHM C#CCOc1ccc(NC(=O)c2csc(-c3nnn[n-]3)c2)cc1 ZINC001588362249 1348895144 /nfs/dbraw/zinc/89/51/44/1348895144.db2.gz XSNNMPWVUODAOZ-UHFFFAOYSA-N -1 3 325.353 2.193 20 30 EEEDHM C#Cc1ccccc1CC(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001588375041 1348897332 /nfs/dbraw/zinc/89/73/32/1348897332.db2.gz BQABCGDXVSASAY-UHFFFAOYSA-N -1 3 345.406 2.442 20 30 EEEDHM C#Cc1ccccc1CC(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001588375041 1348897337 /nfs/dbraw/zinc/89/73/37/1348897337.db2.gz BQABCGDXVSASAY-UHFFFAOYSA-N -1 3 345.406 2.442 20 30 EEEDHM C=C(C)C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)C(=O)OCC ZINC001588410589 1348902325 /nfs/dbraw/zinc/90/23/25/1348902325.db2.gz SBYDCZYQLJNIRW-NSHDSACASA-N -1 3 336.783 2.225 20 30 EEEDHM C=C(C)C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)C(=O)OCC ZINC001588410589 1348902329 /nfs/dbraw/zinc/90/23/29/1348902329.db2.gz SBYDCZYQLJNIRW-NSHDSACASA-N -1 3 336.783 2.225 20 30 EEEDHM C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001588475508 1348907541 /nfs/dbraw/zinc/90/75/41/1348907541.db2.gz MFQWGYRQJJJRMB-NWDGAFQWSA-N -1 3 343.435 2.169 20 30 EEEDHM C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001588475508 1348907544 /nfs/dbraw/zinc/90/75/44/1348907544.db2.gz MFQWGYRQJJJRMB-NWDGAFQWSA-N -1 3 343.435 2.169 20 30 EEEDHM C=C[C@H](O)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC001588525885 1348914014 /nfs/dbraw/zinc/91/40/14/1348914014.db2.gz MTQWIFKQASAPLB-AWEZNQCLSA-N -1 3 337.339 2.144 20 30 EEEDHM C=C[C@H](O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC001588525885 1348914018 /nfs/dbraw/zinc/91/40/18/1348914018.db2.gz MTQWIFKQASAPLB-AWEZNQCLSA-N -1 3 337.339 2.144 20 30 EEEDHM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588561139 1348916609 /nfs/dbraw/zinc/91/66/09/1348916609.db2.gz YDSULRYAWWGENT-SWLSCSKDSA-N -1 3 347.444 2.280 20 30 EEEDHM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588561139 1348916614 /nfs/dbraw/zinc/91/66/14/1348916614.db2.gz YDSULRYAWWGENT-SWLSCSKDSA-N -1 3 347.444 2.280 20 30 EEEDHM C=CCCO[C@H](C)c1nnc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001588611043 1348923666 /nfs/dbraw/zinc/92/36/66/1348923666.db2.gz PQSDBCVEWQCKED-LLVKDONJSA-N -1 3 342.359 2.482 20 30 EEEDHM C=CCN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)[C@@H](C)COC ZINC001588625743 1348923909 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CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cnnn1-c1ccccc1 ZINC001588780839 1348935025 /nfs/dbraw/zinc/93/50/25/1348935025.db2.gz QAHAFDANZCQQDW-UHFFFAOYSA-N -1 3 345.370 2.284 20 30 EEEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccccc1C#N ZINC001590024362 1349114643 /nfs/dbraw/zinc/11/46/43/1349114643.db2.gz KLIJSOUWKWYOII-NSHDSACASA-N -1 3 334.339 2.144 20 30 EEEDHM CC1(F)CN(c2nc3c(c(C#N)c2-c2nnn[n-]2)CCCCCC3)C1 ZINC001590142236 1349174605 /nfs/dbraw/zinc/17/46/05/1349174605.db2.gz ZJGUDQAICHKMCK-UHFFFAOYSA-N -1 3 341.394 2.341 20 30 EEEDHM CC1(F)CN(c2nc3c(c(C#N)c2-c2nn[n-]n2)CCCCCC3)C1 ZINC001590142236 1349174615 /nfs/dbraw/zinc/17/46/15/1349174615.db2.gz ZJGUDQAICHKMCK-UHFFFAOYSA-N -1 3 341.394 2.341 20 30 EEEDHM CCn1nc(C2CC2)cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001590964535 1349425375 /nfs/dbraw/zinc/42/53/75/1349425375.db2.gz AINAKAUECATHBR-UHFFFAOYSA-N -1 3 348.370 2.084 20 30 EEEDHM CCn1nc(C2CC2)cc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001590964535 1349425380 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ZINC001579888967 1403792204 /nfs/dbraw/zinc/79/22/04/1403792204.db2.gz XSDQLOKTIAZBAR-LLVKDONJSA-N -1 3 348.366 2.238 20 30 EEEDHM COc1ccc(NC(=O)NCc2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC001580040971 1403813078 /nfs/dbraw/zinc/81/30/78/1403813078.db2.gz WSSCLTSKGVSNHM-UHFFFAOYSA-N -1 3 349.354 2.069 20 30 EEEDHM COc1ccc(NC(=O)NCc2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC001580040971 1403813087 /nfs/dbraw/zinc/81/30/87/1403813087.db2.gz WSSCLTSKGVSNHM-UHFFFAOYSA-N -1 3 349.354 2.069 20 30 EEEDHM Cc1cc(N2CCO[C@H](c3ccc(-c4nnn[n-]4)cc3)C2)cc(C#N)n1 ZINC001592008967 1403983372 /nfs/dbraw/zinc/98/33/72/1403983372.db2.gz PTTVZPZYAODJLS-KRWDZBQOSA-N -1 3 347.382 2.020 20 30 EEEDHM Cc1cc(N2CCO[C@H](c3ccc(-c4nn[n-]n4)cc3)C2)cc(C#N)n1 ZINC001592008967 1403983380 /nfs/dbraw/zinc/98/33/80/1403983380.db2.gz PTTVZPZYAODJLS-KRWDZBQOSA-N -1 3 347.382 2.020 20 30 EEEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc(C#N)s1 ZINC001592104819 1403995848 /nfs/dbraw/zinc/99/58/48/1403995848.db2.gz APISAGPUKMVNRN-UHFFFAOYSA-N -1 3 339.384 2.430 20 30 EEEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc(C#N)s1 ZINC001592104819 1403995860 /nfs/dbraw/zinc/99/58/60/1403995860.db2.gz APISAGPUKMVNRN-UHFFFAOYSA-N -1 3 339.384 2.430 20 30 EEEDHM Cc1ccc(C(=O)NCc2ccc(C#N)cc2F)cc1-c1nnn[n-]1 ZINC001592128326 1403999671 /nfs/dbraw/zinc/99/96/71/1403999671.db2.gz XMDOHCRCUALRBV-UHFFFAOYSA-N -1 3 336.330 2.116 20 30 EEEDHM Cc1ccc(C(=O)NCc2ccc(C#N)cc2F)cc1-c1nn[n-]n1 ZINC001592128326 1403999676 /nfs/dbraw/zinc/99/96/76/1403999676.db2.gz XMDOHCRCUALRBV-UHFFFAOYSA-N -1 3 336.330 2.116 20 30 EEEDHM N#C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OC1CCCCC1 ZINC001592669873 1404710850 /nfs/dbraw/zinc/71/08/50/1404710850.db2.gz VEKUHKVKQXYYRZ-AWEZNQCLSA-N -1 3 325.372 2.425 20 30 EEEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OC1CCCCC1 ZINC001592669873 1404710855 /nfs/dbraw/zinc/71/08/55/1404710855.db2.gz VEKUHKVKQXYYRZ-AWEZNQCLSA-N -1 3 325.372 2.425 20 30 EEEDHM N#Cc1ccc(F)c(COC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001592693495 1404715906 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C(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc(-n2ccnc2)cc1 ZINC001588381405 1348898777 /nfs/dbraw/zinc/89/87/77/1348898777.db2.gz AUVAERSOOYTUKG-UHFFFAOYSA-N -1 3 330.355 2.498 20 30 EEEDHM C=C(C)[C@H](C)OC(=O)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001588402704 1348901025 /nfs/dbraw/zinc/90/10/25/1348901025.db2.gz KMYXKXGJAVHMPR-WCQYABFASA-N -1 3 345.378 2.340 20 30 EEEDHM C=C(CC)CNC(=O)NC(C)(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588441323 1348905028 /nfs/dbraw/zinc/90/50/28/1348905028.db2.gz DAAIJLCMLRDZML-UHFFFAOYSA-N -1 3 328.420 2.453 20 30 EEEDHM C=C(CC)CNC(=O)NC(C)(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588441323 1348905030 /nfs/dbraw/zinc/90/50/30/1348905030.db2.gz DAAIJLCMLRDZML-UHFFFAOYSA-N -1 3 328.420 2.453 20 30 EEEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588456207 1348905969 /nfs/dbraw/zinc/90/59/69/1348905969.db2.gz IVUCYPQEBZOJDH-TXEJJXNPSA-N -1 3 325.376 2.285 20 30 EEEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588456207 1348905974 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EEEDHM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588565086 1348917625 /nfs/dbraw/zinc/91/76/25/1348917625.db2.gz VWBLSPHHYPUMKE-AWEZNQCLSA-N -1 3 325.372 2.007 20 30 EEEDHM C=CC[C@@H]1N(C(=O)c2cc(-c3nnn[n-]3)ccn2)CCCC1(C)C ZINC001588564175 1348917802 /nfs/dbraw/zinc/91/78/02/1348917802.db2.gz JXEQCRWTVNLTLT-AWEZNQCLSA-N -1 3 326.404 2.469 20 30 EEEDHM C=CC[C@@H]1N(C(=O)c2cc(-c3nn[n-]n3)ccn2)CCCC1(C)C ZINC001588564175 1348917803 /nfs/dbraw/zinc/91/78/03/1348917803.db2.gz JXEQCRWTVNLTLT-AWEZNQCLSA-N -1 3 326.404 2.469 20 30 EEEDHM C=CCCC(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C[C@H]1C ZINC001588566433 1348918086 /nfs/dbraw/zinc/91/80/86/1348918086.db2.gz HMYCOOHHBXXWLM-CHWSQXEVSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCC(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C[C@H]1C ZINC001588566433 1348918090 /nfs/dbraw/zinc/91/80/90/1348918090.db2.gz HMYCOOHHBXXWLM-CHWSQXEVSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCCC(=O)NC[C@@H](CC)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588586485 1348920958 /nfs/dbraw/zinc/92/09/58/1348920958.db2.gz IEZULTKDAWNVGH-CYBMUJFWSA-N -1 3 343.435 2.233 20 30 EEEDHM C=CCCCC(=O)NC[C@@H](CC)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588586485 1348920960 /nfs/dbraw/zinc/92/09/60/1348920960.db2.gz IEZULTKDAWNVGH-CYBMUJFWSA-N -1 3 343.435 2.233 20 30 EEEDHM C=CCCCC(=O)NCCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001588590268 1348922069 /nfs/dbraw/zinc/92/20/69/1348922069.db2.gz FMBDAWGEXYFPLH-UHFFFAOYSA-N -1 3 349.826 2.190 20 30 EEEDHM C=CCCCC(=O)NCCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001588590268 1348922071 /nfs/dbraw/zinc/92/20/71/1348922071.db2.gz FMBDAWGEXYFPLH-UHFFFAOYSA-N -1 3 349.826 2.190 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCCOCC1 ZINC001588639949 1348926057 /nfs/dbraw/zinc/92/60/57/1348926057.db2.gz XVSMBFMEPQRRON-OAHLLOKOSA-N -1 3 341.415 2.198 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCCOCC1 ZINC001588639949 1348926060 /nfs/dbraw/zinc/92/60/60/1348926060.db2.gz XVSMBFMEPQRRON-OAHLLOKOSA-N -1 3 341.415 2.198 20 30 EEEDHM C=CCOc1ccc(CNC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588689361 1348928973 /nfs/dbraw/zinc/92/89/73/1348928973.db2.gz FXVMSANEVINUFU-UHFFFAOYSA-N -1 3 349.394 2.290 20 30 EEEDHM C=CCOc1ccc(CNC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588689361 1348928976 /nfs/dbraw/zinc/92/89/76/1348928976.db2.gz FXVMSANEVINUFU-UHFFFAOYSA-N -1 3 349.394 2.290 20 30 EEEDHM CC(C)c1ccc2ncc(-c3nnn[n-]3)c(N3CCO[C@@H](C#N)C3)c2c1 ZINC001589770811 1349034750 /nfs/dbraw/zinc/03/47/50/1349034750.db2.gz LXRRVFXCXXFYKI-ZDUSSCGKSA-N -1 3 349.398 2.267 20 30 EEEDHM CC(C)c1ccc2ncc(-c3nn[n-]n3)c(N3CCO[C@@H](C#N)C3)c2c1 ZINC001589770811 1349034753 /nfs/dbraw/zinc/03/47/53/1349034753.db2.gz LXRRVFXCXXFYKI-ZDUSSCGKSA-N -1 3 349.398 2.267 20 30 EEEDHM Cc1cc(C(=O)N[C@H](CC#N)C(F)(F)F)cc(C)c1-c1nnn[n-]1 ZINC001591920369 1349558522 /nfs/dbraw/zinc/55/85/22/1349558522.db2.gz NNCQCIJKLQAQMC-SNVBAGLBSA-N -1 3 338.293 2.058 20 30 EEEDHM Cc1cc(C(=O)N[C@H](CC#N)C(F)(F)F)cc(C)c1-c1nn[n-]n1 ZINC001591920369 1349558527 /nfs/dbraw/zinc/55/85/27/1349558527.db2.gz NNCQCIJKLQAQMC-SNVBAGLBSA-N -1 3 338.293 2.058 20 30 EEEDHM N#Cc1ccc2c(c1)CCN2C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001592697942 1349707860 /nfs/dbraw/zinc/70/78/60/1349707860.db2.gz CRNVOAILYLHJIZ-SOFGYWHQSA-N -1 3 342.362 2.341 20 30 EEEDHM N#Cc1ccc2c(c1)CCN2C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001592697942 1349707861 /nfs/dbraw/zinc/70/78/61/1349707861.db2.gz CRNVOAILYLHJIZ-SOFGYWHQSA-N -1 3 342.362 2.341 20 30 EEEDHM O=C(OCC#Cc1ccccc1)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001593280969 1349761085 /nfs/dbraw/zinc/76/10/85/1349761085.db2.gz QXITWYQQXUQFKE-UHFFFAOYSA-N -1 3 344.374 2.493 20 30 EEEDHM O=C(OCC#Cc1ccccc1)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001593280969 1349761087 /nfs/dbraw/zinc/76/10/87/1349761087.db2.gz QXITWYQQXUQFKE-UHFFFAOYSA-N -1 3 344.374 2.493 20 30 EEEDHM N#Cc1nc(C(=O)[O-])ccc1NCC1(N2CCSCC2)CCCC1 ZINC001601132679 1350218297 /nfs/dbraw/zinc/21/82/97/1350218297.db2.gz FHJXCMXVMGLEHJ-UHFFFAOYSA-N -1 3 346.456 2.425 20 30 EEEDHM C#CC[C@H](COC)Nc1ccc(-c2nn[n-]n2)cc1Br ZINC001602697642 1350575025 /nfs/dbraw/zinc/57/50/25/1350575025.db2.gz PEPBMWBVMDCNAB-SNVBAGLBSA-N -1 3 336.193 2.079 20 30 EEEDHM C#CC[C@@H]1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001602698941 1350574901 /nfs/dbraw/zinc/57/49/01/1350574901.db2.gz BABHZEIYXYQEHJ-LLVKDONJSA-N -1 3 344.806 2.075 20 30 EEEDHM C#CC[C@@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001602698941 1350574903 /nfs/dbraw/zinc/57/49/03/1350574903.db2.gz BABHZEIYXYQEHJ-LLVKDONJSA-N -1 3 344.806 2.075 20 30 EEEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001602753177 1350581317 /nfs/dbraw/zinc/58/13/17/1350581317.db2.gz MRHJVENZSHJTSR-BXUZGUMPSA-N -1 3 347.806 2.231 20 30 EEEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001602753177 1350581321 /nfs/dbraw/zinc/58/13/21/1350581321.db2.gz MRHJVENZSHJTSR-BXUZGUMPSA-N -1 3 347.806 2.231 20 30 EEEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001602753559 1350581533 /nfs/dbraw/zinc/58/15/33/1350581533.db2.gz QSRUYDZCPGHGKM-QMTHXVAHSA-N -1 3 330.348 2.168 20 30 EEEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001602753559 1350581538 /nfs/dbraw/zinc/58/15/38/1350581538.db2.gz QSRUYDZCPGHGKM-QMTHXVAHSA-N -1 3 330.348 2.168 20 30 EEEDHM C=C(C)[C@H](CC(=O)N1CCc2c1cccc2-c1nnn[n-]1)OCC ZINC001602754059 1350582039 /nfs/dbraw/zinc/58/20/39/1350582039.db2.gz YCBOAFJSNNNBCK-HNNXBMFYSA-N -1 3 327.388 2.127 20 30 EEEDHM C=C(C)[C@H](CC(=O)N1CCc2c1cccc2-c1nn[n-]n1)OCC ZINC001602754059 1350582043 /nfs/dbraw/zinc/58/20/43/1350582043.db2.gz YCBOAFJSNNNBCK-HNNXBMFYSA-N -1 3 327.388 2.127 20 30 EEEDHM C=C(C)CCC(=O)N(C)[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001602756498 1350582324 /nfs/dbraw/zinc/58/23/24/1350582324.db2.gz PLOOUOMJHJJGCK-NSHDSACASA-N -1 3 347.398 2.016 20 30 EEEDHM C=C(C)CCC(=O)N(C)[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001602756498 1350582326 /nfs/dbraw/zinc/58/23/26/1350582326.db2.gz PLOOUOMJHJJGCK-NSHDSACASA-N -1 3 347.398 2.016 20 30 EEEDHM C=C(C)CCC(=O)N[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001602759971 1350582911 /nfs/dbraw/zinc/58/29/11/1350582911.db2.gz UWQMOQHRDSPKHN-JTQLQIEISA-N -1 3 349.826 2.188 20 30 EEEDHM C=C(C)CCC(=O)N[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001602759971 1350582915 /nfs/dbraw/zinc/58/29/15/1350582915.db2.gz UWQMOQHRDSPKHN-JTQLQIEISA-N -1 3 349.826 2.188 20 30 EEEDHM C=C(C)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC001602762972 1350583556 /nfs/dbraw/zinc/58/35/56/1350583556.db2.gz QLUPWVHNMMRQJI-UHFFFAOYSA-N -1 3 330.417 2.167 20 30 EEEDHM C=C[C@H](CC)CC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001602802912 1350588270 /nfs/dbraw/zinc/58/82/70/1350588270.db2.gz CZXFUQILBSWUAR-VXGBXAGGSA-N -1 3 343.387 2.339 20 30 EEEDHM C=C[C@H](CC)CC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001602802912 1350588273 /nfs/dbraw/zinc/58/82/73/1350588273.db2.gz CZXFUQILBSWUAR-VXGBXAGGSA-N -1 3 343.387 2.339 20 30 EEEDHM C=C[C@@H](C(=O)[O-])N1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC001602804935 1350588884 /nfs/dbraw/zinc/58/88/84/1350588884.db2.gz VKQPBXCADCWNAF-IRXDYDNUSA-N -1 3 330.428 2.229 20 30 EEEDHM C=CCCC(=O)N(C)[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001602823458 1350591625 /nfs/dbraw/zinc/59/16/25/1350591625.db2.gz KWVSOLJFCRAUGX-GFCCVEGCSA-N -1 3 344.394 2.009 20 30 EEEDHM C=CCCC(=O)N(C)[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001602823458 1350591629 /nfs/dbraw/zinc/59/16/29/1350591629.db2.gz KWVSOLJFCRAUGX-GFCCVEGCSA-N -1 3 344.394 2.009 20 30 EEEDHM C=CCCCC(=O)N[C@@H](C)[C@@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001602831815 1350592958 /nfs/dbraw/zinc/59/29/58/1350592958.db2.gz FYQIHRTTZWKLDI-VHSXEESVSA-N -1 3 349.464 2.293 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1[nH]c(C)nc1C ZINC001602858190 1350597080 /nfs/dbraw/zinc/59/70/80/1350597080.db2.gz JPNPPVLRSBVMJW-UHFFFAOYSA-N -1 3 337.387 2.035 20 30 EEEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1cc(C#N)ncn1 ZINC001603293378 1350681624 /nfs/dbraw/zinc/68/16/24/1350681624.db2.gz CRTOENJPSCUWCC-UHFFFAOYSA-N -1 3 334.387 2.191 20 30 EEEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1cc(C#N)ncn1 ZINC001603293378 1350681630 /nfs/dbraw/zinc/68/16/30/1350681630.db2.gz CRTOENJPSCUWCC-UHFFFAOYSA-N -1 3 334.387 2.191 20 30 EEEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccc(C#N)cc1 ZINC001604453203 1350940906 /nfs/dbraw/zinc/94/09/06/1350940906.db2.gz LGLDLUYRHMGVPN-UHFFFAOYSA-N -1 3 348.366 2.318 20 30 EEEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(C#N)cc1 ZINC001604453203 1350940908 /nfs/dbraw/zinc/94/09/08/1350940908.db2.gz LGLDLUYRHMGVPN-UHFFFAOYSA-N -1 3 348.366 2.318 20 30 EEEDHM CCc1oc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1C(=O)OC ZINC001604588010 1350965875 /nfs/dbraw/zinc/96/58/75/1350965875.db2.gz UZXZOKFVFWUNNY-UHFFFAOYSA-N -1 3 340.343 2.255 20 30 EEEDHM Cc1cc(C#N)cc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC001605588798 1351195568 /nfs/dbraw/zinc/19/55/68/1351195568.db2.gz JDLJQBRDCILNBY-UHFFFAOYSA-N -1 3 333.355 2.369 20 30 EEEDHM Cc1cc(C#N)cc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC001605588798 1351195571 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EEEDHM Cc1ccc(-c2nc(NC(=O)Cc3ccc(OCC#N)cc3)n[n-]2)o1 ZINC000160262352 675211677 /nfs/dbraw/zinc/21/16/77/675211677.db2.gz GCYZUJHOHPDXKA-UHFFFAOYSA-N -1 3 337.339 2.457 20 30 EEEDHM Cc1nsc(N2CCN(Cc3ccc([O-])c(F)c3)CC2)c1C#N ZINC000894546909 682967391 /nfs/dbraw/zinc/96/73/91/682967391.db2.gz MWJLZRWXGCTSHO-UHFFFAOYSA-N -1 3 332.404 2.490 20 30 EEEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(C(F)(F)F)nc1 ZINC000125180490 686924017 /nfs/dbraw/zinc/92/40/17/686924017.db2.gz RXQSJPRJVCIPKI-SNVBAGLBSA-N -1 3 334.257 2.457 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1[O-] ZINC000976191782 687426401 /nfs/dbraw/zinc/42/64/01/687426401.db2.gz KINUAYALPJKJPK-ZDXGLAPJSA-N -1 3 328.412 2.181 20 30 EEEDHM C=C1CCC(C(=O)N2CC[C@H](NC(=O)c3ccccc3[O-])C2)CC1 ZINC000937696291 690706711 /nfs/dbraw/zinc/70/67/11/690706711.db2.gz LGVOMGVJIMSHCM-HNNXBMFYSA-N -1 3 328.412 2.469 20 30 EEEDHM Cc1c2cc(C#N)ccc2sc1C(=O)[N-]N1C(=O)[C@H](C)N(C)C1=O ZINC000899037558 693579464 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C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)NCc1ccc(F)cc1 ZINC000811186135 1199916490 /nfs/dbraw/zinc/91/64/90/1199916490.db2.gz DHRQZZYCPSEPFZ-NSHDSACASA-N -1 3 342.326 2.265 20 30 EEEDHM O=C(Nc1cccc(OC(F)(F)F)c1)N[C@@H]1CCCN([O-])C1=O ZINC000878131379 1200275312 /nfs/dbraw/zinc/27/53/12/1200275312.db2.gz NYNDQIWWUFZVDR-SNVBAGLBSA-N -1 3 333.266 2.087 20 30 EEEDHM O=C(/C=C/c1ccccc1C(F)(F)F)N[C@@H]1CCCN([O-])C1=O ZINC000868563920 1201835959 /nfs/dbraw/zinc/83/59/59/1201835959.db2.gz YDURZGIPVNWHIA-ABZNLYFFSA-N -1 3 328.290 2.215 20 30 EEEDHM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C(CF)CF ZINC000885418570 1202412619 /nfs/dbraw/zinc/41/26/19/1202412619.db2.gz YEELYLKBJDORIP-UHFFFAOYSA-N -1 3 328.262 2.163 20 30 EEEDHM C[C@H](CCCNc1ccc(C#N)nn1)NC(=O)c1ccccc1[O-] ZINC001114842479 1215754480 /nfs/dbraw/zinc/75/44/80/1215754480.db2.gz UIUZYVATVFVJLN-GFCCVEGCSA-N -1 3 325.372 2.064 20 30 EEEDHM C[C@@H](C#N)C(=O)N1CCC(C2(NC(=O)c3ccccc3[O-])CC2)CC1 ZINC001017137230 1227158413 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347.378 2.025 20 30 EEEDHM C=C(C)C(=O)NCCCNC(=O)c1cccc(OC(F)(F)F)c1[O-] ZINC001189764523 1280488397 /nfs/dbraw/zinc/48/83/97/1280488397.db2.gz DULBHWGVHSOFGR-UHFFFAOYSA-N -1 3 346.305 2.103 20 30 EEEDHM C=CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cnccc1Cl)[C@@H](C)CC ZINC001192911327 1282231825 /nfs/dbraw/zinc/23/18/25/1282231825.db2.gz ZLXDTUDWTVWDFE-GWCFXTLKSA-N -1 3 346.836 2.157 20 30 EEEDHM C=CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)CC1CCC1 ZINC001193532588 1282540451 /nfs/dbraw/zinc/54/04/51/1282540451.db2.gz GEJDNZUHLLCDGM-INIZCTEOSA-N -1 3 337.441 2.046 20 30 EEEDHM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccccc2CN(C)C)c1 ZINC001193681407 1282661790 /nfs/dbraw/zinc/66/17/90/1282661790.db2.gz XHOGDBNPSOFYNQ-UHFFFAOYSA-N -1 3 345.424 2.429 20 30 EEEDHM CCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC001196190800 1283926020 /nfs/dbraw/zinc/92/60/20/1283926020.db2.gz DSCPAYSWECDZPJ-LLVKDONJSA-N -1 3 332.223 2.205 20 30 EEEDHM N#CCCCCNC(=O)c1cc([O-])cc(I)c1 ZINC001196428105 1284070145 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20 30 EEEDHM Cc1ncc(CO)c(/C=N/Cc2nccc(C(F)(F)F)n2)c1[O-] ZINC000840710447 1315401432 /nfs/dbraw/zinc/40/14/32/1315401432.db2.gz JMZUBXNSZOPLJO-BLLMUTORSA-N -1 3 326.278 2.016 20 30 EEEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ncc(F)cn1 ZINC001259115282 1319446875 /nfs/dbraw/zinc/44/68/75/1319446875.db2.gz HMYMHODUCXPDTJ-MRVPVSSYSA-N -1 3 340.767 2.180 20 30 EEEDHM CC[C@@H](CC#N)NCc1ccc(-c2nnn[n-]2)cc1Br ZINC001590419703 1349315945 /nfs/dbraw/zinc/31/59/45/1349315945.db2.gz PQNPNEWZSXMRGV-NSHDSACASA-N -1 3 335.209 2.411 20 30 EEEDHM CC[C@@H](CC#N)NCc1ccc(-c2nn[n-]n2)cc1Br ZINC001590419703 1349315951 /nfs/dbraw/zinc/31/59/51/1349315951.db2.gz PQNPNEWZSXMRGV-NSHDSACASA-N -1 3 335.209 2.411 20 30 EEEDHM C[C@@H]1OCCC1N=Nc1cc(-c2nnn[n-]2)ccc1Br ZINC001590332959 1349269840 /nfs/dbraw/zinc/26/98/40/1349269840.db2.gz ATCVIZBMYCTTKO-ZETCQYMHSA-N -1 3 337.181 2.206 20 30 EEEDHM C[C@@H]1OCCC1N=Nc1cc(-c2nn[n-]n2)ccc1Br ZINC001590332959 1349269848 /nfs/dbraw/zinc/26/98/48/1349269848.db2.gz ATCVIZBMYCTTKO-ZETCQYMHSA-N -1 3 337.181 2.206 20 30 EEEDHM C=CCN1c2ccccc2C(=N[N-]c2nncc(N)c2Cl)C1=O ZINC001319197811 1332664055 /nfs/dbraw/zinc/66/40/55/1332664055.db2.gz XWWMCBDXKGQYKB-UHFFFAOYSA-N -1 3 328.763 2.061 20 30 EEEDHM C=CCN(CCc1ccco1)C(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001609055617 1351825561 /nfs/dbraw/zinc/82/55/61/1351825561.db2.gz LOWUZGKPGRCOTB-UHFFFAOYSA-N -1 3 338.371 2.034 20 30 EEEDHM C=CCN(CCc1ccco1)C(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001609055617 1351825565 /nfs/dbraw/zinc/82/55/65/1351825565.db2.gz LOWUZGKPGRCOTB-UHFFFAOYSA-N -1 3 338.371 2.034 20 30 EEEDHM C=CCN(C(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C)C1CC1 ZINC001609055978 1351826190 /nfs/dbraw/zinc/82/61/90/1351826190.db2.gz IYYYFMFTRLMPML-INIZCTEOSA-N -1 3 341.415 2.447 20 30 EEEDHM C=CCN(C(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C)C1CC1 ZINC001609055978 1351826191 /nfs/dbraw/zinc/82/61/91/1351826191.db2.gz IYYYFMFTRLMPML-INIZCTEOSA-N -1 3 341.415 2.447 20 30 EEEDHM CCCCCCC(=O)CSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC001609209233 1351892742 /nfs/dbraw/zinc/89/27/42/1351892742.db2.gz TUAFYSDTRGCODI-UHFFFAOYSA-N -1 3 345.432 2.347 20 30 EEEDHM CCCCCCC(=O)CSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC001609209233 1351892745 /nfs/dbraw/zinc/89/27/45/1351892745.db2.gz TUAFYSDTRGCODI-UHFFFAOYSA-N -1 3 345.432 2.347 20 30 EEEDHM CN1CCOc2ccc(Nc3c(C#N)cccc3-c3nnn[n-]3)cc21 ZINC001609285521 1351921512 /nfs/dbraw/zinc/92/15/12/1351921512.db2.gz BPQPNIONJOQQKF-UHFFFAOYSA-N -1 3 333.355 2.311 20 30 EEEDHM CN1CCOc2ccc(Nc3c(C#N)cccc3-c3nn[n-]n3)cc21 ZINC001609285521 1351921516 /nfs/dbraw/zinc/92/15/16/1351921516.db2.gz BPQPNIONJOQQKF-UHFFFAOYSA-N -1 3 333.355 2.311 20 30 EEEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@](C)(C#N)C1 ZINC001609350722 1351942282 /nfs/dbraw/zinc/94/22/82/1351942282.db2.gz PCZTXZOFKMMCBH-MRXNPFEDSA-N -1 3 341.375 2.033 20 30 EEEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@](C)(C#N)C1 ZINC001609350722 1351942285 /nfs/dbraw/zinc/94/22/85/1351942285.db2.gz PCZTXZOFKMMCBH-MRXNPFEDSA-N -1 3 341.375 2.033 20 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/nfs/dbraw/zinc/02/78/34/1352027834.db2.gz MLQOGXPQNWRFII-ALCCZGGFSA-N -1 3 347.334 2.094 20 30 EEEDHM O=C(C=Cc1ccc2c(c1)NC(=O)CO2)c1ccccc1-c1nn[n-]n1 ZINC001609589193 1352027839 /nfs/dbraw/zinc/02/78/39/1352027839.db2.gz MLQOGXPQNWRFII-ALCCZGGFSA-N -1 3 347.334 2.094 20 30 EEEDHM C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001609632379 1352046203 /nfs/dbraw/zinc/04/62/03/1352046203.db2.gz NPFPWBUGNPSNIE-ZENOOKHLSA-N -1 3 347.390 2.256 20 30 EEEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC=C(C)CC1 ZINC001340472282 1337191708 /nfs/dbraw/zinc/19/17/08/1337191708.db2.gz FWMQEHDLPMIRIH-UHFFFAOYSA-N -1 3 348.414 2.468 20 30 EEEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC=C(C)CC1 ZINC001340472282 1337191710 /nfs/dbraw/zinc/19/17/10/1337191710.db2.gz FWMQEHDLPMIRIH-UHFFFAOYSA-N -1 3 348.414 2.468 20 30 EEEDHM Cc1nn(C)c2ncc(C([O-])=C(C#N)c3ncc(Cl)n3C)cc12 ZINC001345644254 1337455289 /nfs/dbraw/zinc/45/52/89/1337455289.db2.gz WZDUMFOCVJVTPZ-NSHDSACASA-N -1 3 328.763 2.154 20 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/nfs/dbraw/zinc/59/15/28/1344591528.db2.gz OPKFNNFNOFUOKG-UHFFFAOYSA-N -1 3 330.351 2.250 20 30 EEEDHM Cc1ccc(C#N)cc1C(=O)N1CCc2c1cccc2-c1nn[n-]n1 ZINC001581138065 1344591532 /nfs/dbraw/zinc/59/15/32/1344591532.db2.gz OPKFNNFNOFUOKG-UHFFFAOYSA-N -1 3 330.351 2.250 20 30 EEEDHM C#C[C@@](C)(CC)NC(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001588324973 1348886275 /nfs/dbraw/zinc/88/62/75/1348886275.db2.gz BTJINOAUDGDGHK-KRWDZBQOSA-N -1 3 336.355 2.053 20 30 EEEDHM C#C[C@@](C)(CC)NC(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001588324973 1348886278 /nfs/dbraw/zinc/88/62/78/1348886278.db2.gz BTJINOAUDGDGHK-KRWDZBQOSA-N -1 3 336.355 2.053 20 30 EEEDHM C#Cc1ccc(NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)nc1 ZINC001588374812 1348898097 /nfs/dbraw/zinc/89/80/97/1348898097.db2.gz PGGNXQGJWATWEX-UHFFFAOYSA-N -1 3 345.410 2.324 20 30 EEEDHM C#Cc1ccc(NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)nc1 ZINC001588374812 1348898100 /nfs/dbraw/zinc/89/81/00/1348898100.db2.gz PGGNXQGJWATWEX-UHFFFAOYSA-N -1 3 345.410 2.324 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC001588401667 1348900823 /nfs/dbraw/zinc/90/08/23/1348900823.db2.gz WUKQBGGERISEFE-SWLSCSKDSA-N -1 3 326.404 2.144 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC001588401667 1348900825 /nfs/dbraw/zinc/90/08/25/1348900825.db2.gz WUKQBGGERISEFE-SWLSCSKDSA-N -1 3 326.404 2.144 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1scc(C)c1-c1nnn[n-]1 ZINC001588401607 1348901181 /nfs/dbraw/zinc/90/11/81/1348901181.db2.gz VRNXMZXYMDBSCU-CMPLNLGQSA-N -1 3 348.432 2.339 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1scc(C)c1-c1nn[n-]n1 ZINC001588401607 1348901187 /nfs/dbraw/zinc/90/11/87/1348901187.db2.gz VRNXMZXYMDBSCU-CMPLNLGQSA-N -1 3 348.432 2.339 20 30 EEEDHM C=C1CCC(CNC(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588462447 1348907403 /nfs/dbraw/zinc/90/74/03/1348907403.db2.gz OAHLWIOINZGBEK-UHFFFAOYSA-N -1 3 326.404 2.412 20 30 EEEDHM C=C1CCC(CNC(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588462447 1348907406 /nfs/dbraw/zinc/90/74/06/1348907406.db2.gz OAHLWIOINZGBEK-UHFFFAOYSA-N -1 3 326.404 2.412 20 30 EEEDHM C=CC(C)(C)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588488901 1348909633 /nfs/dbraw/zinc/90/96/33/1348909633.db2.gz QJKYCBIGLFLALZ-UHFFFAOYSA-N -1 3 341.824 2.011 20 30 EEEDHM C=CC(C)(C)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588488901 1348909637 /nfs/dbraw/zinc/90/96/37/1348909637.db2.gz QJKYCBIGLFLALZ-UHFFFAOYSA-N -1 3 341.824 2.011 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N(C)CCCNc1ccc(-c2nnn[n-]2)nc1 ZINC001588518600 1348911727 /nfs/dbraw/zinc/91/17/27/1348911727.db2.gz GZTMIXCVFSSGQK-ZDUSSCGKSA-N -1 3 343.435 2.124 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N(C)CCCNc1ccc(-c2nn[n-]n2)nc1 ZINC001588518600 1348911731 /nfs/dbraw/zinc/91/17/31/1348911731.db2.gz GZTMIXCVFSSGQK-ZDUSSCGKSA-N -1 3 343.435 2.124 20 30 EEEDHM C=CCC1(C(=O)OCC(=O)Nc2sccc2-c2nnn[n-]2)CCC1 ZINC001588556209 1348915531 /nfs/dbraw/zinc/91/55/31/1348915531.db2.gz GELFXQLBUOZVAT-UHFFFAOYSA-N -1 3 347.400 2.156 20 30 EEEDHM C=CCC1(C(=O)OCC(=O)Nc2sccc2-c2nn[n-]n2)CCC1 ZINC001588556209 1348915534 /nfs/dbraw/zinc/91/55/34/1348915534.db2.gz GELFXQLBUOZVAT-UHFFFAOYSA-N -1 3 347.400 2.156 20 30 EEEDHM C=CCCCCCCNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001588593608 1348921891 /nfs/dbraw/zinc/92/18/91/1348921891.db2.gz FFWBMLIQKNVRPF-UHFFFAOYSA-N -1 3 329.404 2.498 20 30 EEEDHM C=CCCC[C@@H]1NC(=O)N([C@H](C)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC001588593955 1348921900 /nfs/dbraw/zinc/92/19/00/1348921900.db2.gz NJNQSHACYLHMLZ-RISCZKNCSA-N -1 3 340.387 2.204 20 30 EEEDHM C=CCCC[C@@H]1NC(=O)N([C@H](C)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC001588593955 1348921904 /nfs/dbraw/zinc/92/19/04/1348921904.db2.gz NJNQSHACYLHMLZ-RISCZKNCSA-N -1 3 340.387 2.204 20 30 EEEDHM C=CCCCCCCNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588594276 1348922247 /nfs/dbraw/zinc/92/22/47/1348922247.db2.gz RVFGJJNGQDMTOQ-HNNXBMFYSA-N -1 3 329.404 2.153 20 30 EEEDHM C=CCCCCCCNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588594276 1348922253 /nfs/dbraw/zinc/92/22/53/1348922253.db2.gz RVFGJJNGQDMTOQ-HNNXBMFYSA-N -1 3 329.404 2.153 20 30 EEEDHM C=CCCCNC(=O)NC(C)(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588600495 1348923307 /nfs/dbraw/zinc/92/33/07/1348923307.db2.gz DIBVHHMYAOADMV-UHFFFAOYSA-N -1 3 328.420 2.453 20 30 EEEDHM C=CCCCNC(=O)NC(C)(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588600495 1348923310 /nfs/dbraw/zinc/92/33/10/1348923310.db2.gz DIBVHHMYAOADMV-UHFFFAOYSA-N -1 3 328.420 2.453 20 30 EEEDHM C=CCN(CCc1ccco1)C(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001588635847 1348924921 /nfs/dbraw/zinc/92/49/21/1348924921.db2.gz YPONUFBOWITHQD-UHFFFAOYSA-N -1 3 341.346 2.470 20 30 EEEDHM C=CCN(CCc1ccco1)C(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001588635847 1348924925 /nfs/dbraw/zinc/92/49/25/1348924925.db2.gz YPONUFBOWITHQD-UHFFFAOYSA-N -1 3 341.346 2.470 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](CCC)OC ZINC001588639998 1348925841 /nfs/dbraw/zinc/92/58/41/1348925841.db2.gz YRYDPSHNXALHSY-HNNXBMFYSA-N -1 3 329.404 2.196 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](CCC)OC ZINC001588639998 1348925846 /nfs/dbraw/zinc/92/58/46/1348925846.db2.gz YRYDPSHNXALHSY-HNNXBMFYSA-N -1 3 329.404 2.196 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)F ZINC001588642456 1348926436 /nfs/dbraw/zinc/92/64/36/1348926436.db2.gz ZRROBJPRKJTYHI-UHFFFAOYSA-N -1 3 332.383 2.312 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC(C)(C)F ZINC001588642456 1348926437 /nfs/dbraw/zinc/92/64/37/1348926437.db2.gz ZRROBJPRKJTYHI-UHFFFAOYSA-N -1 3 332.383 2.312 20 30 EEEDHM CC(=Cc1ccccn1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001588773305 1348935181 /nfs/dbraw/zinc/93/51/81/1348935181.db2.gz VUDWYPAWRQXQEI-FLIBITNWSA-N -1 3 331.339 2.175 20 30 EEEDHM CC(=Cc1ccccn1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001588773305 1348935184 /nfs/dbraw/zinc/93/51/84/1348935184.db2.gz VUDWYPAWRQXQEI-FLIBITNWSA-N -1 3 331.339 2.175 20 30 EEEDHM CC(C)(CCC#N)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589272397 1348978058 /nfs/dbraw/zinc/97/80/58/1348978058.db2.gz LGHVUPOVWFIKHA-UHFFFAOYSA-N -1 3 331.355 2.457 20 30 EEEDHM CC(C)(CCC#N)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589272397 1348978060 /nfs/dbraw/zinc/97/80/60/1348978060.db2.gz LGHVUPOVWFIKHA-UHFFFAOYSA-N -1 3 331.355 2.457 20 30 EEEDHM CC(C)[C@@H](CNc1c(C#N)cccc1-c1nnn[n-]1)c1ccnn1C ZINC001589457028 1348991611 /nfs/dbraw/zinc/99/16/11/1348991611.db2.gz OZCZDJFZPDCVDY-CQSZACIVSA-N -1 3 336.403 2.324 20 30 EEEDHM CC(C)[C@@H](CNc1c(C#N)cccc1-c1nn[n-]n1)c1ccnn1C ZINC001589457028 1348991613 /nfs/dbraw/zinc/99/16/13/1348991613.db2.gz OZCZDJFZPDCVDY-CQSZACIVSA-N -1 3 336.403 2.324 20 30 EEEDHM C[C@@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589959590 1349080187 /nfs/dbraw/zinc/08/01/87/1349080187.db2.gz ZPCYXPSMTWBDTC-IAQYHMDHSA-N -1 3 346.394 2.262 20 30 EEEDHM CCN(CCC#N)Cc1ccc(Br)cc1-c1nnn[n-]1 ZINC001590692124 1349390895 /nfs/dbraw/zinc/39/08/95/1349390895.db2.gz WXJGSQQFYQRILW-UHFFFAOYSA-N -1 3 335.209 2.365 20 30 EEEDHM CCN(CCC#N)Cc1ccc(Br)cc1-c1nn[n-]n1 ZINC001590692124 1349390898 /nfs/dbraw/zinc/39/08/98/1349390898.db2.gz WXJGSQQFYQRILW-UHFFFAOYSA-N -1 3 335.209 2.365 20 30 EEEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccccc1C#N ZINC001591565932 1349507667 /nfs/dbraw/zinc/50/76/67/1349507667.db2.gz DPHFEYITXHAKKR-CLFYSBASSA-N -1 3 346.350 2.399 20 30 EEEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccccc1C#N ZINC001591565932 1349507673 /nfs/dbraw/zinc/50/76/73/1349507673.db2.gz DPHFEYITXHAKKR-CLFYSBASSA-N -1 3 346.350 2.399 20 30 EEEDHM COc1ccc(OC)c(CNc2c(C#N)cccc2-c2nnn[n-]2)c1 ZINC001591620444 1349517575 /nfs/dbraw/zinc/51/75/75/1349517575.db2.gz VVPRRLYSEQXIAJ-UHFFFAOYSA-N -1 3 336.355 2.368 20 30 EEEDHM COc1ccc(OC)c(CNc2c(C#N)cccc2-c2nn[n-]n2)c1 ZINC001591620444 1349517582 /nfs/dbraw/zinc/51/75/82/1349517582.db2.gz VVPRRLYSEQXIAJ-UHFFFAOYSA-N -1 3 336.355 2.368 20 30 EEEDHM Cc1nsc(NC(=O)c2cc(C)c(-c3nnn[n-]3)c(C)c2)c1C#N ZINC001591935499 1349561108 /nfs/dbraw/zinc/56/11/08/1349561108.db2.gz SSUMGYZFHIMBJG-UHFFFAOYSA-N -1 3 339.384 2.372 20 30 EEEDHM Cc1nsc(NC(=O)c2cc(C)c(-c3nn[n-]n3)c(C)c2)c1C#N ZINC001591935499 1349561112 /nfs/dbraw/zinc/56/11/12/1349561112.db2.gz SSUMGYZFHIMBJG-UHFFFAOYSA-N -1 3 339.384 2.372 20 30 EEEDHM Cc1cc(C=NN2CCc3ccccc3C2=O)ccc1-c1nnn[n-]1 ZINC001591958364 1349567839 /nfs/dbraw/zinc/56/78/39/1349567839.db2.gz CWUMAXGUXRVSMP-UHFFFAOYSA-N -1 3 332.367 2.208 20 30 EEEDHM Cc1cc(C=NN2CCc3ccccc3C2=O)ccc1-c1nn[n-]n1 ZINC001591958364 1349567848 /nfs/dbraw/zinc/56/78/48/1349567848.db2.gz CWUMAXGUXRVSMP-UHFFFAOYSA-N -1 3 332.367 2.208 20 30 EEEDHM Clc1cnccc1NN=C1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001592538704 1349652296 /nfs/dbraw/zinc/65/22/96/1349652296.db2.gz NXBGAWLHYYRHTO-UHFFFAOYSA-N -1 3 325.763 2.099 20 30 EEEDHM FC(F)(F)c1ccc(N=NCc2nc(-c3nnn[n-]3)cs2)nc1 ZINC001592621047 1349675263 /nfs/dbraw/zinc/67/52/63/1349675263.db2.gz NWEWBPQAVVVTJE-UHFFFAOYSA-N -1 3 340.294 2.183 20 30 EEEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1ccc(F)cc1 ZINC001592687048 1349705654 /nfs/dbraw/zinc/70/56/54/1349705654.db2.gz ZLWXBVWBQJVAEG-UHFFFAOYSA-N -1 3 327.348 2.147 20 30 EEEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1ccc(F)cc1 ZINC001592687048 1349705657 /nfs/dbraw/zinc/70/56/57/1349705657.db2.gz ZLWXBVWBQJVAEG-UHFFFAOYSA-N -1 3 327.348 2.147 20 30 EEEDHM N#Cc1ccc(C(=O)Nc2sccc2-c2nnn[n-]2)nc1Cl ZINC001592691126 1349706037 /nfs/dbraw/zinc/70/60/37/1349706037.db2.gz IXTVPACPUIUKIN-UHFFFAOYSA-N -1 3 331.748 2.101 20 30 EEEDHM N#Cc1ccc(C(=O)Nc2sccc2-c2nn[n-]n2)nc1Cl ZINC001592691126 1349706043 /nfs/dbraw/zinc/70/60/43/1349706043.db2.gz IXTVPACPUIUKIN-UHFFFAOYSA-N -1 3 331.748 2.101 20 30 EEEDHM N#Cc1cc(N2CCc3ccc(-c4nnn[n-]4)cc32)nc(C2CC2)n1 ZINC001592689681 1349706658 /nfs/dbraw/zinc/70/66/58/1349706658.db2.gz SDKYBXNFCRQBGW-UHFFFAOYSA-N -1 3 330.355 2.100 20 30 EEEDHM N#Cc1cc(N2CCc3ccc(-c4nn[n-]n4)cc32)nc(C2CC2)n1 ZINC001592689681 1349706661 /nfs/dbraw/zinc/70/66/61/1349706661.db2.gz SDKYBXNFCRQBGW-UHFFFAOYSA-N -1 3 330.355 2.100 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1Sc1nnc(NC2CC2)s1 ZINC001592700589 1349709000 /nfs/dbraw/zinc/70/90/00/1349709000.db2.gz LENQBRDUMZVAQC-UHFFFAOYSA-N -1 3 342.413 2.315 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1Sc1nnc(NC2CC2)s1 ZINC001592700589 1349709003 /nfs/dbraw/zinc/70/90/03/1349709003.db2.gz LENQBRDUMZVAQC-UHFFFAOYSA-N -1 3 342.413 2.315 20 30 EEEDHM O=C1C(=Cc2ccnn2CC2CC2)Cc2ccc(-c3nnn[n-]3)cc21 ZINC001593380078 1349795190 /nfs/dbraw/zinc/79/51/90/1349795190.db2.gz MNCNRRIPNMFNLZ-ZSOIEALJSA-N -1 3 332.367 2.296 20 30 EEEDHM O=C1C(=Cc2ccnn2CC2CC2)Cc2ccc(-c3nn[n-]n3)cc21 ZINC001593380078 1349795193 /nfs/dbraw/zinc/79/51/93/1349795193.db2.gz MNCNRRIPNMFNLZ-ZSOIEALJSA-N -1 3 332.367 2.296 20 30 EEEDHM O=C1c2cc([N+](=O)[O-])ccc2OCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC001593379765 1349795293 /nfs/dbraw/zinc/79/52/93/1349795293.db2.gz JMTQRQSBPPTKKP-KPKJPENVSA-N -1 3 349.306 2.434 20 30 EEEDHM O=C1c2cc([N+](=O)[O-])ccc2OCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC001593379765 1349795296 /nfs/dbraw/zinc/79/52/96/1349795296.db2.gz JMTQRQSBPPTKKP-KPKJPENVSA-N -1 3 349.306 2.434 20 30 EEEDHM Oc1ccc(C=N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)c(O)c1O ZINC001593540570 1349836903 /nfs/dbraw/zinc/83/69/03/1349836903.db2.gz JQDDKIHKHAQFPB-WUQDTEKSSA-N -1 3 337.339 2.090 20 30 EEEDHM C#CCC[C@@H](O)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001602703736 1350575738 /nfs/dbraw/zinc/57/57/38/1350575738.db2.gz ZHTJTMHGFLCWDR-SNVBAGLBSA-N -1 3 325.294 2.072 20 30 EEEDHM C#CCC[C@@H](O)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001602703736 1350575741 /nfs/dbraw/zinc/57/57/41/1350575741.db2.gz ZHTJTMHGFLCWDR-SNVBAGLBSA-N -1 3 325.294 2.072 20 30 EEEDHM C#CCC[C@H](O)CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC001602702012 1350575776 /nfs/dbraw/zinc/57/57/76/1350575776.db2.gz BJYLVSVSZLVGIJ-JTQLQIEISA-N -1 3 325.294 2.072 20 30 EEEDHM C#CCC[C@H](O)CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC001602702012 1350575777 /nfs/dbraw/zinc/57/57/77/1350575777.db2.gz BJYLVSVSZLVGIJ-JTQLQIEISA-N -1 3 325.294 2.072 20 30 EEEDHM C#CCN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CSC1 ZINC001602713890 1350576057 /nfs/dbraw/zinc/57/60/57/1350576057.db2.gz BTQOGXGPVSQASN-UHFFFAOYSA-N -1 3 348.819 2.103 20 30 EEEDHM C#CCN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CSC1 ZINC001602713890 1350576059 /nfs/dbraw/zinc/57/60/59/1350576059.db2.gz BTQOGXGPVSQASN-UHFFFAOYSA-N -1 3 348.819 2.103 20 30 EEEDHM C#CCCCCC(=O)NCc1ccc(SC)c(-c2nnn[n-]2)c1 ZINC001602709570 1350576192 /nfs/dbraw/zinc/57/61/92/1350576192.db2.gz HGTXBQQGVPQXJO-UHFFFAOYSA-N -1 3 329.429 2.398 20 30 EEEDHM C#CCCCCC(=O)NCc1ccc(SC)c(-c2nn[n-]n2)c1 ZINC001602709570 1350576199 /nfs/dbraw/zinc/57/61/99/1350576199.db2.gz HGTXBQQGVPQXJO-UHFFFAOYSA-N -1 3 329.429 2.398 20 30 EEEDHM C#CCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)CC=C ZINC001602712357 1350576507 /nfs/dbraw/zinc/57/65/07/1350576507.db2.gz JXHXAJIMKPDEQM-UHFFFAOYSA-N -1 3 348.414 2.161 20 30 EEEDHM C#CCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)CC=C ZINC001602712357 1350576511 /nfs/dbraw/zinc/57/65/11/1350576511.db2.gz JXHXAJIMKPDEQM-UHFFFAOYSA-N -1 3 348.414 2.161 20 30 EEEDHM C=CCCCNC(=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001602839974 1350594481 /nfs/dbraw/zinc/59/44/81/1350594481.db2.gz OIQCEDTZDWEXRX-UHFFFAOYSA-N -1 3 336.193 2.325 20 30 EEEDHM C=CCCCNC(=O)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001602839974 1350594483 /nfs/dbraw/zinc/59/44/83/1350594483.db2.gz OIQCEDTZDWEXRX-UHFFFAOYSA-N -1 3 336.193 2.325 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001602753562 1350581162 /nfs/dbraw/zinc/58/11/62/1350581162.db2.gz QSRUYDZCPGHGKM-YGRLFVJLSA-N -1 3 330.348 2.168 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001602753562 1350581163 /nfs/dbraw/zinc/58/11/63/1350581163.db2.gz QSRUYDZCPGHGKM-YGRLFVJLSA-N -1 3 330.348 2.168 20 30 EEEDHM C=C(C)C[C@@H](C)C(=O)OCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC001602753779 1350581742 /nfs/dbraw/zinc/58/17/42/1350581742.db2.gz UEFKLPHCCLMCDA-LLVKDONJSA-N -1 3 344.371 2.299 20 30 EEEDHM C=C(C)C[C@@H](C)C(=O)OCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC001602753779 1350581744 /nfs/dbraw/zinc/58/17/44/1350581744.db2.gz UEFKLPHCCLMCDA-LLVKDONJSA-N -1 3 344.371 2.299 20 30 EEEDHM C=C(C)CCC(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001602756687 1350582786 /nfs/dbraw/zinc/58/27/86/1350582786.db2.gz VMKCCKCYDBWFFD-CQSZACIVSA-N -1 3 341.419 2.021 20 30 EEEDHM C=C(C)CCC(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001602756687 1350582792 /nfs/dbraw/zinc/58/27/92/1350582792.db2.gz VMKCCKCYDBWFFD-CQSZACIVSA-N -1 3 341.419 2.021 20 30 EEEDHM C=C(C)CCC(=O)NCCN(CC)c1cccc(F)c1-c1nnn[n-]1 ZINC001602759209 1350582856 /nfs/dbraw/zinc/58/28/56/1350582856.db2.gz BKRHSHKPRMUTOW-UHFFFAOYSA-N -1 3 346.410 2.305 20 30 EEEDHM C=C(C)CCC(=O)NCCN(CC)c1cccc(F)c1-c1nn[n-]n1 ZINC001602759209 1350582858 /nfs/dbraw/zinc/58/28/58/1350582858.db2.gz BKRHSHKPRMUTOW-UHFFFAOYSA-N -1 3 346.410 2.305 20 30 EEEDHM C=C[C@H](CC)CC(=O)N(C)[C@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001602800634 1350588057 /nfs/dbraw/zinc/58/80/57/1350588057.db2.gz MTCDAPCDZRBYNR-CHWSQXEVSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@H](CC)CC(=O)N(C)[C@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001602800634 1350588060 /nfs/dbraw/zinc/58/80/60/1350588060.db2.gz MTCDAPCDZRBYNR-CHWSQXEVSA-N -1 3 343.435 2.123 20 30 EEEDHM C=CCCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C[C@@H]1C ZINC001602823539 1350592158 /nfs/dbraw/zinc/59/21/58/1350592158.db2.gz CSVPPEKZXBWDOE-STQMWFEESA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C[C@@H]1C ZINC001602823539 1350592163 /nfs/dbraw/zinc/59/21/63/1350592163.db2.gz CSVPPEKZXBWDOE-STQMWFEESA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@@H](CC)C(=O)OCC ZINC001602858213 1350597147 /nfs/dbraw/zinc/59/71/47/1350597147.db2.gz JYIFHIICOQNPMQ-HNNXBMFYSA-N -1 3 329.404 2.196 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H](CC)C(=O)OCC ZINC001602858213 1350597152 /nfs/dbraw/zinc/59/71/52/1350597152.db2.gz JYIFHIICOQNPMQ-HNNXBMFYSA-N -1 3 329.404 2.196 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1conc1C ZINC001602857309 1350597288 /nfs/dbraw/zinc/59/72/88/1350597288.db2.gz XVOWMJGVAKAWTL-UHFFFAOYSA-N -1 3 339.359 2.383 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1conc1C ZINC001602857309 1350597293 /nfs/dbraw/zinc/59/72/93/1350597293.db2.gz XVOWMJGVAKAWTL-UHFFFAOYSA-N -1 3 339.359 2.383 20 30 EEEDHM CC#CCCCCOC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001602893714 1350601834 /nfs/dbraw/zinc/60/18/34/1350601834.db2.gz FXAIBHQBPREAAB-UHFFFAOYSA-N -1 3 327.388 2.283 20 30 EEEDHM CC#CCCCCOC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001602893714 1350601838 /nfs/dbraw/zinc/60/18/38/1350601838.db2.gz FXAIBHQBPREAAB-UHFFFAOYSA-N -1 3 327.388 2.283 20 30 EEEDHM CC(C)(CCC#N)CNC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001603139334 1350647718 /nfs/dbraw/zinc/64/77/18/1350647718.db2.gz OAZTYGIVQXGFEW-UHFFFAOYSA-N -1 3 331.355 2.457 20 30 EEEDHM CC(C)(CCC#N)CNC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001603139334 1350647724 /nfs/dbraw/zinc/64/77/24/1350647724.db2.gz OAZTYGIVQXGFEW-UHFFFAOYSA-N -1 3 331.355 2.457 20 30 EEEDHM CC(C)(CCC#N)CNC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001603139119 1350648071 /nfs/dbraw/zinc/64/80/71/1350648071.db2.gz HUVIFIRVSSAIDJ-UHFFFAOYSA-N -1 3 339.403 2.222 20 30 EEEDHM CC(C)(CCC#N)CNC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001603139119 1350648080 /nfs/dbraw/zinc/64/80/80/1350648080.db2.gz HUVIFIRVSSAIDJ-UHFFFAOYSA-N -1 3 339.403 2.222 20 30 EEEDHM CC(C)(CCC#N)CNC(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1 ZINC001603139277 1350648379 /nfs/dbraw/zinc/64/83/79/1350648379.db2.gz MSUURTZUQDWZKQ-UHFFFAOYSA-N -1 3 337.387 2.408 20 30 EEEDHM CC(C)(CCC#N)CNC(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1 ZINC001603139277 1350648389 /nfs/dbraw/zinc/64/83/89/1350648389.db2.gz MSUURTZUQDWZKQ-UHFFFAOYSA-N -1 3 337.387 2.408 20 30 EEEDHM C[C@]1(C#N)CCCN(C(=O)C2(c3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC001603737930 1350755168 /nfs/dbraw/zinc/75/51/68/1350755168.db2.gz VRILCAQTVLNMMB-QGZVFWFLSA-N -1 3 336.399 2.051 20 30 EEEDHM C[C@]1(C#N)CCCN(C(=O)C2(c3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC001603737930 1350755174 /nfs/dbraw/zinc/75/51/74/1350755174.db2.gz VRILCAQTVLNMMB-QGZVFWFLSA-N -1 3 336.399 2.051 20 30 EEEDHM C[C@H]1CCCC[C@H]1NC(=S)NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001603890258 1350794969 /nfs/dbraw/zinc/79/49/69/1350794969.db2.gz JBUPHKSETBNWFV-SMDDNHRTSA-N -1 3 343.460 2.243 20 30 EEEDHM C[C@H]1CCCC[C@H]1NC(=S)NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603890258 1350794970 /nfs/dbraw/zinc/79/49/70/1350794970.db2.gz JBUPHKSETBNWFV-SMDDNHRTSA-N -1 3 343.460 2.243 20 30 EEEDHM COC(=O)c1occc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001604990259 1351048017 /nfs/dbraw/zinc/04/80/17/1351048017.db2.gz BHYJCZKWPKIEGP-HYXAFXHYSA-N -1 3 342.286 2.282 20 30 EEEDHM COC(=O)c1occc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001604990259 1351048021 /nfs/dbraw/zinc/04/80/21/1351048021.db2.gz BHYJCZKWPKIEGP-HYXAFXHYSA-N -1 3 342.286 2.282 20 30 EEEDHM COc1cc(OCc2cc(-c3nnn[n-]3)ccc2F)ccc1C#N ZINC001605236949 1351112863 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C=CCN(C(=O)Nc1cc(C)c(N(C)C)cc1-c1nn[n-]n1)C1CC1 ZINC001609056145 1351826524 /nfs/dbraw/zinc/82/65/24/1351826524.db2.gz RLZWJPXMFHINBK-UHFFFAOYSA-N -1 3 341.419 2.423 20 30 EEEDHM CC(C)OCCNN=C1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609101422 1351843689 /nfs/dbraw/zinc/84/36/89/1351843689.db2.gz PSYVTNCETCVFFB-UHFFFAOYSA-N -1 3 328.420 2.312 20 30 EEEDHM CC(C)OCCNN=C1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609101422 1351843693 /nfs/dbraw/zinc/84/36/93/1351843693.db2.gz PSYVTNCETCVFFB-UHFFFAOYSA-N -1 3 328.420 2.312 20 30 EEEDHM COC(=O)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)[nH]1 ZINC001609302720 1351925273 /nfs/dbraw/zinc/92/52/73/1351925273.db2.gz DXBBOYJLCOGSRS-DAXSKMNVSA-N -1 3 341.302 2.017 20 30 EEEDHM COC(=O)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)[nH]1 ZINC001609302720 1351925274 /nfs/dbraw/zinc/92/52/74/1351925274.db2.gz DXBBOYJLCOGSRS-DAXSKMNVSA-N -1 3 341.302 2.017 20 30 EEEDHM COC(=O)c1cccc(NN=C(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001609306123 1351925898 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LNTSHZXZZLHBKF-HUBLWGQQSA-N -1 3 348.414 2.164 20 30 EEEDHM C#CC[C@H]1CCCN(C(=O)Cc2c(C)cc(-c3nnn[n-]3)cc2C)C1 ZINC001588335313 1348890679 /nfs/dbraw/zinc/89/06/79/1348890679.db2.gz IDYLXSGZHDOCHF-HNNXBMFYSA-N -1 3 337.427 2.288 20 30 EEEDHM C#CC[C@H]1CCCN(C(=O)Cc2c(C)cc(-c3nn[n-]n3)cc2C)C1 ZINC001588335313 1348890681 /nfs/dbraw/zinc/89/06/81/1348890681.db2.gz IDYLXSGZHDOCHF-HNNXBMFYSA-N -1 3 337.427 2.288 20 30 EEEDHM C#Cc1ccc(CN2CCO[C@H](c3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC001588373830 1348896949 /nfs/dbraw/zinc/89/69/49/1348896949.db2.gz UOGYHMAPJQQZJH-IBGZPJMESA-N -1 3 345.406 2.422 20 30 EEEDHM C=C(C)[C@H](CC(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21)OCC ZINC001588401946 1348901485 /nfs/dbraw/zinc/90/14/85/1348901485.db2.gz ARVXRJQTCVOFGB-HOTGVXAUSA-N -1 3 341.415 2.342 20 30 EEEDHM C=C(C)[C@H](CC(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21)OCC ZINC001588401946 1348901488 /nfs/dbraw/zinc/90/14/88/1348901488.db2.gz ARVXRJQTCVOFGB-HOTGVXAUSA-N -1 3 341.415 2.342 20 30 EEEDHM 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EEEDHM C=CCC1(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)CCOCC1 ZINC001588556102 1348915899 /nfs/dbraw/zinc/91/58/99/1348915899.db2.gz DBHZGIHSLBGXGZ-UHFFFAOYSA-N -1 3 349.341 2.456 20 30 EEEDHM C=CCCC(C)(C)NC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588577126 1348920084 /nfs/dbraw/zinc/92/00/84/1348920084.db2.gz DABPYBUHBBSUCL-HNNXBMFYSA-N -1 3 340.431 2.378 20 30 EEEDHM C=CCCC(C)(C)NC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588577126 1348920089 /nfs/dbraw/zinc/92/00/89/1348920089.db2.gz DABPYBUHBBSUCL-HNNXBMFYSA-N -1 3 340.431 2.378 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccnc1NC ZINC001588648310 1348927118 /nfs/dbraw/zinc/92/71/18/1348927118.db2.gz MRCWWHYZINAHPA-UHFFFAOYSA-N -1 3 349.398 2.132 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccnc1NC ZINC001588648310 1348927121 /nfs/dbraw/zinc/92/71/21/1348927121.db2.gz MRCWWHYZINAHPA-UHFFFAOYSA-N -1 3 349.398 2.132 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CC1(C)C ZINC001588648937 1348927707 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CC(=Cc1ccncc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001588772444 1348934170 /nfs/dbraw/zinc/93/41/70/1348934170.db2.gz OTPUDBSCPKZHBZ-DHZHZOJOSA-N -1 3 331.339 2.175 20 30 EEEDHM CC(=Cc1ccncc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001588772444 1348934173 /nfs/dbraw/zinc/93/41/73/1348934173.db2.gz OTPUDBSCPKZHBZ-DHZHZOJOSA-N -1 3 331.339 2.175 20 30 EEEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)Nc1ccc(C#N)cn1 ZINC001590044762 1349124714 /nfs/dbraw/zinc/12/47/14/1349124714.db2.gz USLWKHDWYJRDPJ-LLVKDONJSA-N -1 3 348.370 2.358 20 30 EEEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)Nc1ccc(C#N)cn1 ZINC001590044762 1349124727 /nfs/dbraw/zinc/12/47/27/1349124727.db2.gz USLWKHDWYJRDPJ-LLVKDONJSA-N -1 3 348.370 2.358 20 30 EEEDHM C[C@]1(C#N)CN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CCO1 ZINC001590056438 1349134527 /nfs/dbraw/zinc/13/45/27/1349134527.db2.gz LBIOJMLAGBUQHI-ZDUSSCGKSA-N -1 3 338.293 2.004 20 30 EEEDHM C[C@]1(C#N)CN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCO1 ZINC001590056438 1349134530 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N#CCCCN1CCC2(CCN(C(=O)c3ccc([O-])cc3)CC2)C1=O ZINC001269480083 1184301146 /nfs/dbraw/zinc/30/11/46/1184301146.db2.gz XOTHKHDSPNIUJU-UHFFFAOYSA-N -1 3 341.411 2.151 20 30 EEEDHM C=C(C)CN1CC[C@]2(CCN(C(=O)c3ccc(Cl)c(=O)[n-]3)C2)C1=O ZINC001271598496 1186331658 /nfs/dbraw/zinc/33/16/58/1186331658.db2.gz IHVJELYPFOBPCP-QGZVFWFLSA-N -1 3 349.818 2.081 20 30 EEEDHM C#C[C@@H](CC)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000813699313 1199143670 /nfs/dbraw/zinc/14/36/70/1199143670.db2.gz CRORHFWXSFSGRA-QMMMGPOBSA-N -1 3 325.283 2.414 20 30 EEEDHM COC(=O)c1cc(C(=O)OCCCOc2cccc(C#N)c2)c[n-]1 ZINC000814530646 1199564129 /nfs/dbraw/zinc/56/41/29/1199564129.db2.gz XCIVPTOOGKLEBX-UHFFFAOYSA-N -1 3 328.324 2.299 20 30 EEEDHM C#CCC1(OC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CCC1 ZINC000810749548 1199710116 /nfs/dbraw/zinc/71/01/16/1199710116.db2.gz JQHZULXCLWRTKA-UHFFFAOYSA-N -1 3 325.361 2.300 20 30 EEEDHM CC(=O)c1ccc(NC(=O)COC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000811185302 1199916550 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C=CCc1ccc(OC(=O)Cc2c(C)nc(C)[n-]c2=O)c(OC)c1 ZINC000048886080 1208510014 /nfs/dbraw/zinc/51/00/14/1208510014.db2.gz FUGHJOKMWOORSS-UHFFFAOYSA-N -1 3 328.368 2.272 20 30 EEEDHM C=C(C)CCN1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000949166505 1209560568 /nfs/dbraw/zinc/56/05/68/1209560568.db2.gz IGWMDFJCMJQSDL-UHFFFAOYSA-N -1 3 325.412 2.252 20 30 EEEDHM N#Cc1cc(CN2CC[C@@H](NC(=O)c3ccccc3[O-])C2)ccc1F ZINC001010273311 1223637243 /nfs/dbraw/zinc/63/72/43/1223637243.db2.gz UJLSWIBBWKYLJG-OAHLLOKOSA-N -1 3 339.370 2.407 20 30 EEEDHM CN(CCCC(=O)N([O-])Cc1ccc(F)cc1)C(=O)c1ccncc1 ZINC000900678059 1234645468 /nfs/dbraw/zinc/64/54/68/1234645468.db2.gz GCPHXLDQWZABDB-UHFFFAOYSA-N -1 3 345.374 2.491 20 30 EEEDHM C=CCOC[C@H](NCc1cn(-c2ccccc2F)nc1C)C(=O)[O-] ZINC000901808952 1236364280 /nfs/dbraw/zinc/36/42/80/1236364280.db2.gz AIJSNFJEJAOXRE-HNNXBMFYSA-N -1 3 333.363 2.065 20 30 EEEDHM CC(C)C#CC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)c1ccccc1[O-] ZINC001056389306 1239300767 /nfs/dbraw/zinc/30/07/67/1239300767.db2.gz KAJIGQVGLYLXEH-DLBZAZTESA-N -1 3 340.423 2.257 20 30 EEEDHM C#CCCCCC(=O)N1C[C@H](NC(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC001071921925 1254791815 /nfs/dbraw/zinc/79/18/15/1254791815.db2.gz MQAQGNYSNMMPMJ-HOCLYGCPSA-N -1 3 328.412 2.163 20 30 EEEDHM N#C[C@@H]([N-]S(=O)(=O)c1ccc2n[nH]cc2c1)c1ccc(F)cc1 ZINC001186021234 1278913943 /nfs/dbraw/zinc/91/39/43/1278913943.db2.gz ATTCNJQZVPZTKO-OAHLLOKOSA-N -1 3 330.344 2.245 20 30 EEEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(F)c(F)c2)c1 ZINC001190608540 1280974980 /nfs/dbraw/zinc/97/49/80/1280974980.db2.gz UNQCXKYQKAHGQB-UHFFFAOYSA-N -1 3 326.299 2.454 20 30 EEEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CC2(Cc3cccnc3)CC2)c1 ZINC001190676375 1281014383 /nfs/dbraw/zinc/01/43/83/1281014383.db2.gz BMJINSPBJVASOY-UHFFFAOYSA-N -1 3 345.399 2.394 20 30 EEEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CCc3c2cccc3O)c1 ZINC001190682242 1281018351 /nfs/dbraw/zinc/01/83/51/1281018351.db2.gz XQMHLWRKCIEPKD-AWEZNQCLSA-N -1 3 332.356 2.369 20 30 EEEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cc(OC)nc(OC)c1 ZINC001192408496 1281978380 /nfs/dbraw/zinc/97/83/80/1281978380.db2.gz LSWWXVXKWYHCPN-UHFFFAOYSA-N -1 3 347.352 2.071 20 30 EEEDHM N=C(c1ccccc1N)N([O-])C(=O)c1ccc(=O)n(-c2ccccc2)c1 ZINC001194573644 1283181003 /nfs/dbraw/zinc/18/10/03/1283181003.db2.gz IVONVINTJGMWPK-UHFFFAOYSA-N -1 3 348.362 2.277 20 30 EEEDHM N#Cc1cc2cccnc2nc1NC(=O)c1cnc(C(F)(F)F)[n-]1 ZINC001194770934 1283298183 /nfs/dbraw/zinc/29/81/83/1283298183.db2.gz UOLAAUCEVHVWRJ-UHFFFAOYSA-N -1 3 332.245 2.496 20 30 EEEDHM CCC[C@](C)(C#N)[N-]S(=O)(=O)c1cccc(Br)n1 ZINC001196340888 1284009552 /nfs/dbraw/zinc/00/95/52/1284009552.db2.gz HBSGVOZSABGHEH-LLVKDONJSA-N -1 3 332.223 2.205 20 30 EEEDHM C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001070518491 1286447699 /nfs/dbraw/zinc/44/76/99/1286447699.db2.gz BAZKROOPYJYFDV-LSDHHAIUSA-N -1 3 346.427 2.094 20 30 EEEDHM COC(=O)C1(C#N)CCN(C(=O)c2cc(SC)ccc2[O-])CC1 ZINC000854823845 1292957482 /nfs/dbraw/zinc/95/74/82/1292957482.db2.gz MDQVNZDIXJZWMX-UHFFFAOYSA-N -1 3 334.397 2.033 20 30 EEEDHM CCCCNC(=O)[C@H](C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000857568689 1293853071 /nfs/dbraw/zinc/85/30/71/1293853071.db2.gz YOVWCIPFTZUUBW-ZDUSSCGKSA-N -1 3 347.415 2.056 20 30 EEEDHM CN(CCNC(=O)c1ccccc1[O-])c1ccc(C#N)cc1[N+](=O)[O-] ZINC001099980514 1299562887 /nfs/dbraw/zinc/56/28/87/1299562887.db2.gz ATKFMYNFWOHONQ-UHFFFAOYSA-N -1 3 340.339 2.038 20 30 EEEDHM C=CC(=O)OC[C@@H](COC(=O)C(=C)C)Oc1ncc(Cl)cc1[O-] ZINC001227980412 1302037883 /nfs/dbraw/zinc/03/78/83/1302037883.db2.gz NGQFECUMVYVVRD-NSHDSACASA-N -1 3 341.747 2.037 20 30 EEEDHM C=CCN(CC=C)CCN1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC001231465284 1303808992 /nfs/dbraw/zinc/80/89/92/1303808992.db2.gz HUVQOXONOGCQOG-UHFFFAOYSA-N -1 3 349.500 2.238 20 30 EEEDHM N#CCC1CN(C(=O)C23CC(NCc4ccc([O-])c(F)c4F)(C2)C3)C1 ZINC001277543139 1303870117 /nfs/dbraw/zinc/87/01/17/1303870117.db2.gz HJNKGWNKZYFNRI-UHFFFAOYSA-N -1 3 347.365 2.055 20 30 EEEDHM COc1ccccc1CO[N-]C(=O)Cc1cccc(OCC#N)c1 ZINC000799097400 1305155363 /nfs/dbraw/zinc/15/53/63/1305155363.db2.gz DSBIOOGCKJZIND-UHFFFAOYSA-N -1 3 326.352 2.388 20 30 EEEDHM C=CC(C)(C)CC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCCCC1 ZINC001115554416 1305344483 /nfs/dbraw/zinc/34/44/83/1305344483.db2.gz DXORYBZPGUJPBK-UHFFFAOYSA-N -1 3 335.452 2.021 20 30 EEEDHM C=CCOc1ccc(C/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC001117137629 1305998027 /nfs/dbraw/zinc/99/80/27/1305998027.db2.gz KTMLRVDBQZXLQW-UHFFFAOYSA-N -1 3 328.393 2.490 20 30 EEEDHM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(CN2CCCCC2)o1 ZINC001122442281 1310286707 /nfs/dbraw/zinc/28/67/07/1310286707.db2.gz LQSVKBHIAXEVHT-OAHLLOKOSA-N -1 3 329.400 2.210 20 30 EEEDHM COCc1nn(C)cc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC001122447442 1310288778 /nfs/dbraw/zinc/28/87/78/1310288778.db2.gz FBSVYEFPTHYPTJ-JTQLQIEISA-N -1 3 346.774 2.181 20 30 EEEDHM C/C=C(\C)COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000842846070 1315784597 /nfs/dbraw/zinc/78/45/97/1315784597.db2.gz HYNWVHFRICVFQZ-QNCMIEPLSA-N -1 3 336.413 2.013 20 30 EEEDHM Cc1cc(Br)c([O-])c(CN2CC[C@@](O)(CC#N)C2)c1 ZINC000843425502 1315913044 /nfs/dbraw/zinc/91/30/44/1315913044.db2.gz PWPSCMUJVSVSGB-AWEZNQCLSA-N -1 3 325.206 2.314 20 30 EEEDHM N#Cc1c2c(sc1NC(=O)c1cccc3c1[N-]C(=O)C3=O)CCC2 ZINC001152448803 1316672587 /nfs/dbraw/zinc/67/25/87/1316672587.db2.gz QAKCFZICFJBQIJ-UHFFFAOYSA-N -1 3 337.360 2.496 20 30 EEEDHM Cn1c(C(=O)N([O-])C(=N)c2ccccc2N)cc2c1ncnc2Cl ZINC001152923611 1316744341 /nfs/dbraw/zinc/74/43/41/1316744341.db2.gz VETZBKBWNZSTTH-UHFFFAOYSA-N -1 3 344.762 2.061 20 30 EEEDHM COc1ccc2c(c1)[n-]c(C(=O)N[C@H]1CC[C@H](C#N)CC1)cc2=O ZINC001154120301 1316963389 /nfs/dbraw/zinc/96/33/89/1316963389.db2.gz ZOIFTGCFLNQZAK-HAQNSBGRSA-N -1 3 325.368 2.349 20 30 EEEDHM N#CC1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCOCC1 ZINC001257300986 1318978958 /nfs/dbraw/zinc/97/89/58/1318978958.db2.gz ZKFNRBCNYUXJQF-UHFFFAOYSA-N -1 3 335.212 2.344 20 30 EEEDHM N#Cc1ccccc1S(=O)(=O)[N-]c1cnc(Cl)nc1Cl ZINC001258201435 1319208470 /nfs/dbraw/zinc/20/84/70/1319208470.db2.gz BECKFOXRFPNQLR-UHFFFAOYSA-N -1 3 329.168 2.456 20 30 EEEDHM Cc1ncc(C#N)cc1[N-]S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C ZINC001258980126 1319402671 /nfs/dbraw/zinc/40/26/71/1319402671.db2.gz RUALKTVETILKKW-CXAGYDPISA-N -1 3 347.440 2.399 20 30 EEEDHM C[Si](C)(C)C#Cc1ncccc1[N-]S(=O)(=O)C1CCOCC1 ZINC001259908102 1319734297 /nfs/dbraw/zinc/73/42/97/1319734297.db2.gz WDLMFXHHSOQHIB-UHFFFAOYSA-N -1 3 338.505 2.231 20 30 EEEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)cc1 ZINC001260037996 1319780137 /nfs/dbraw/zinc/78/01/37/1319780137.db2.gz KFJBPOBRJSMTAN-UHFFFAOYSA-N -1 3 344.318 2.259 20 30 EEEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCC[C@](F)(CO)CC2)n1 ZINC001164408093 1321373654 /nfs/dbraw/zinc/37/36/54/1321373654.db2.gz YAEWHCQXAWOTLD-DFWYYUMKSA-N -1 3 348.831 2.351 20 30 EEEDHM C=CCN(C(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1)C(C)(C)C ZINC001602847428 1350595449 /nfs/dbraw/zinc/59/54/49/1350595449.db2.gz SPCGKEJEAISHNY-UHFFFAOYSA-N -1 3 328.420 2.359 20 30 EEEDHM C=CCN(C(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1)C(C)(C)C ZINC001602847428 1350595452 /nfs/dbraw/zinc/59/54/52/1350595452.db2.gz SPCGKEJEAISHNY-UHFFFAOYSA-N -1 3 328.420 2.359 20 30 EEEDHM N#CC[C@@H](O)CN(CCC(=O)[O-])Cc1cccc(Br)c1 ZINC001608188373 1351643654 /nfs/dbraw/zinc/64/36/54/1351643654.db2.gz MZVOQMVHWUEVMY-CYBMUJFWSA-N -1 3 341.205 2.000 20 30 EEEDHM C=C[C@@H](COC)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001339409611 1331622515 /nfs/dbraw/zinc/62/25/15/1331622515.db2.gz OXWFWPKGCVGKGW-VIFPVBQESA-N -1 3 327.406 2.421 20 30 EEEDHM C=C(C)C[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)OCC ZINC001309807773 1331642748 /nfs/dbraw/zinc/64/27/48/1331642748.db2.gz YECJFTXFXJIHEO-ZDUSSCGKSA-N -1 3 347.383 2.449 20 30 EEEDHM C#CC[C@H](Cc1ccccc1)NC(=O)c1sccc1-c1nnn[n-]1 ZINC001609020300 1351815707 /nfs/dbraw/zinc/81/57/07/1351815707.db2.gz XQNUIKHQNWKIJU-CYBMUJFWSA-N -1 3 337.408 2.293 20 30 EEEDHM C#CC[C@H](Cc1ccccc1)NC(=O)c1sccc1-c1nn[n-]n1 ZINC001609020300 1351815712 /nfs/dbraw/zinc/81/57/12/1351815712.db2.gz XQNUIKHQNWKIJU-CYBMUJFWSA-N -1 3 337.408 2.293 20 30 EEEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC001609051092 1351824030 /nfs/dbraw/zinc/82/40/30/1351824030.db2.gz NUFXMYXGWAKAGE-UKRRQHHQSA-N -1 3 342.403 2.278 20 30 EEEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001609051092 1351824036 /nfs/dbraw/zinc/82/40/36/1351824036.db2.gz NUFXMYXGWAKAGE-UKRRQHHQSA-N -1 3 342.403 2.278 20 30 EEEDHM Cc1cc2cc(N=Cc3c([O-])c(C)ncc3CO)ccc2n(C)c1=O ZINC001324142172 1333617448 /nfs/dbraw/zinc/61/74/48/1333617448.db2.gz APGDWHAGSDKKMK-UHFFFAOYSA-N -1 3 337.379 2.499 20 30 EEEDHM N#CCCC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001609494276 1351998657 /nfs/dbraw/zinc/99/86/57/1351998657.db2.gz ACMDDHGWVXECJX-OAHLLOKOSA-N -1 3 347.382 2.427 20 30 EEEDHM N#CCCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001609494276 1351998660 /nfs/dbraw/zinc/99/86/60/1351998660.db2.gz ACMDDHGWVXECJX-OAHLLOKOSA-N -1 3 347.382 2.427 20 30 EEEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(C)C[C@H]1CCCCO1 ZINC001342024838 1337307091 /nfs/dbraw/zinc/30/70/91/1337307091.db2.gz IVWWFMXPPRPULU-CYBMUJFWSA-N -1 3 344.419 2.022 20 30 EEEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001343581329 1337338611 /nfs/dbraw/zinc/33/86/11/1337338611.db2.gz OSVWBSPGFAZLAN-VXGBXAGGSA-N -1 3 346.460 2.347 20 30 EEEDHM C#C[C@H](CCC)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001353653231 1338313152 /nfs/dbraw/zinc/31/31/52/1338313152.db2.gz CZPUKUJBSAUPHG-SNVBAGLBSA-N -1 3 328.821 2.243 20 30 EEEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001356133254 1338797112 /nfs/dbraw/zinc/79/71/12/1338797112.db2.gz GGDJJABMNCVBHL-TXEJJXNPSA-N -1 3 328.420 2.417 20 30 EEEDHM C[C@H](NC(=O)Nc1ccc(C#N)cn1)c1cccc(-c2nnn[n-]2)c1 ZINC001575305787 1343771661 /nfs/dbraw/zinc/77/16/61/1343771661.db2.gz ZUUGXYYRQDQTAV-JTQLQIEISA-N -1 3 334.343 2.016 20 30 EEEDHM C[C@H](NC(=O)Nc1ccc(C#N)cn1)c1cccc(-c2nn[n-]n2)c1 ZINC001575305787 1343771667 /nfs/dbraw/zinc/77/16/67/1343771667.db2.gz ZUUGXYYRQDQTAV-JTQLQIEISA-N -1 3 334.343 2.016 20 30 EEEDHM CN(CCc1cccc(C#N)c1)C(=O)c1cscc1-c1nnn[n-]1 ZINC001579231816 1344355345 /nfs/dbraw/zinc/35/53/45/1344355345.db2.gz NDMGWWZNLLGAGS-UHFFFAOYSA-N -1 3 338.396 2.115 20 30 EEEDHM CN(CCc1cccc(C#N)c1)C(=O)c1cscc1-c1nn[n-]n1 ZINC001579231816 1344355347 /nfs/dbraw/zinc/35/53/47/1344355347.db2.gz NDMGWWZNLLGAGS-UHFFFAOYSA-N -1 3 338.396 2.115 20 30 EEEDHM COc1ccc(NC(=O)c2cc(C#N)ccc2C)cc1-c1nnn[n-]1 ZINC001580042290 1344455672 /nfs/dbraw/zinc/45/56/72/1344455672.db2.gz WYCPAWJUZQOMID-UHFFFAOYSA-N -1 3 334.339 2.308 20 30 EEEDHM COc1ccc(NC(=O)c2cc(C#N)ccc2C)cc1-c1nn[n-]n1 ZINC001580042290 1344455677 /nfs/dbraw/zinc/45/56/77/1344455677.db2.gz WYCPAWJUZQOMID-UHFFFAOYSA-N -1 3 334.339 2.308 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1ccc(C#N)c(F)c1 ZINC001580621200 1344545467 /nfs/dbraw/zinc/54/54/67/1344545467.db2.gz NCERPSDJHZGJPD-UHFFFAOYSA-N -1 3 336.330 2.116 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1ccc(C#N)c(F)c1 ZINC001580621200 1344545472 /nfs/dbraw/zinc/54/54/72/1344545472.db2.gz NCERPSDJHZGJPD-UHFFFAOYSA-N -1 3 336.330 2.116 20 30 EEEDHM N#CCc1ccccc1CC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001581859479 1344680637 /nfs/dbraw/zinc/68/06/37/1344680637.db2.gz JKUMLRUTKOKFFR-UHFFFAOYSA-N -1 3 344.378 2.018 20 30 EEEDHM N#CCc1ccccc1CC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001581859479 1344680641 /nfs/dbraw/zinc/68/06/41/1344680641.db2.gz JKUMLRUTKOKFFR-UHFFFAOYSA-N -1 3 344.378 2.018 20 30 EEEDHM C#CC[C@H](COC)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001588334020 1348891373 /nfs/dbraw/zinc/89/13/73/1348891373.db2.gz LQFRRSARYIPBBP-SNVBAGLBSA-N -1 3 325.294 2.336 20 30 EEEDHM C#CC[C@H](COC)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001588334020 1348891375 /nfs/dbraw/zinc/89/13/75/1348891375.db2.gz LQFRRSARYIPBBP-SNVBAGLBSA-N -1 3 325.294 2.336 20 30 EEEDHM C#C[C@H]1CC[C@H](NC(=O)N2Cc3cccc(-c4nnn[n-]4)c3C2)CC1 ZINC001588365062 1348896862 /nfs/dbraw/zinc/89/68/62/1348896862.db2.gz NRLDUUVKMWCYSH-MQMHXKEQSA-N -1 3 336.399 2.084 20 30 EEEDHM C#C[C@H]1CC[C@H](NC(=O)N2Cc3cccc(-c4nn[n-]n4)c3C2)CC1 ZINC001588365062 1348896865 /nfs/dbraw/zinc/89/68/65/1348896865.db2.gz NRLDUUVKMWCYSH-MQMHXKEQSA-N -1 3 336.399 2.084 20 30 EEEDHM C=C(C)CCNC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001588424175 1348903808 /nfs/dbraw/zinc/90/38/08/1348903808.db2.gz GXYLOUOVIFWDAF-UHFFFAOYSA-N -1 3 342.403 2.058 20 30 EEEDHM C=C(C)CCNC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001588424175 1348903813 /nfs/dbraw/zinc/90/38/13/1348903813.db2.gz GXYLOUOVIFWDAF-UHFFFAOYSA-N -1 3 342.403 2.058 20 30 EEEDHM C=C[C@](C)(CC)C(=O)N1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001588491454 1348909303 /nfs/dbraw/zinc/90/93/03/1348909303.db2.gz GUWUHVQUMHVGBF-MRXNPFEDSA-N -1 3 346.460 2.179 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N[C@@H](C)CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001588520433 1348912458 /nfs/dbraw/zinc/91/24/58/1348912458.db2.gz BEMPOBDNDZEZBJ-STQMWFEESA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N[C@@H](C)CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001588520433 1348912461 /nfs/dbraw/zinc/91/24/61/1348912461.db2.gz BEMPOBDNDZEZBJ-STQMWFEESA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@H](COC)Nc1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001588525552 1348914070 /nfs/dbraw/zinc/91/40/70/1348914070.db2.gz IHASJWNAQFPZMS-SSDOTTSWSA-N -1 3 342.172 2.381 20 30 EEEDHM C=C[C@H](COC)Nc1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001588525552 1348914074 /nfs/dbraw/zinc/91/40/74/1348914074.db2.gz IHASJWNAQFPZMS-SSDOTTSWSA-N -1 3 342.172 2.381 20 30 EEEDHM C=CCC(C)(C)C(=O)NC[C@@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588533013 1348914895 /nfs/dbraw/zinc/91/48/95/1348914895.db2.gz LQITYKWMFSRBIA-SECBINFHSA-N -1 3 349.464 2.151 20 30 EEEDHM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588561135 1348916918 /nfs/dbraw/zinc/91/69/18/1348916918.db2.gz YDSULRYAWWGENT-DOMZBBRYSA-N -1 3 347.444 2.280 20 30 EEEDHM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588561135 1348916923 /nfs/dbraw/zinc/91/69/23/1348916923.db2.gz YDSULRYAWWGENT-DOMZBBRYSA-N -1 3 347.444 2.280 20 30 EEEDHM C=CCCCC(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC001588586558 1348921391 /nfs/dbraw/zinc/92/13/91/1348921391.db2.gz KETGDCBXCGHMHQ-UHFFFAOYSA-N -1 3 341.415 2.345 20 30 EEEDHM C=CCCCC(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001588586558 1348921394 /nfs/dbraw/zinc/92/13/94/1348921394.db2.gz KETGDCBXCGHMHQ-UHFFFAOYSA-N -1 3 341.415 2.345 20 30 EEEDHM C=CCCCS(=O)(=O)Oc1cnc2cccc(-c3nnn[n-]3)c2c1 ZINC001588603779 1348922924 /nfs/dbraw/zinc/92/29/24/1348922924.db2.gz VRJMPIGKEIBOJE-UHFFFAOYSA-N -1 3 345.384 2.090 20 30 EEEDHM C=CCCCS(=O)(=O)Oc1cnc2cccc(-c3nn[n-]n3)c2c1 ZINC001588603779 1348922928 /nfs/dbraw/zinc/92/29/28/1348922928.db2.gz VRJMPIGKEIBOJE-UHFFFAOYSA-N -1 3 345.384 2.090 20 30 EEEDHM C=CCN(CC1CCCCC1)C(=O)c1cnccc1-c1nnn[n-]1 ZINC001588628115 1348924055 /nfs/dbraw/zinc/92/40/55/1348924055.db2.gz RPBQVNLSECIIDG-UHFFFAOYSA-N -1 3 326.404 2.470 20 30 EEEDHM C=CCN(CC1CCCCC1)C(=O)c1cnccc1-c1nn[n-]n1 ZINC001588628115 1348924057 /nfs/dbraw/zinc/92/40/57/1348924057.db2.gz RPBQVNLSECIIDG-UHFFFAOYSA-N -1 3 326.404 2.470 20 30 EEEDHM C=CCOc1ccccc1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001588689337 1348929010 /nfs/dbraw/zinc/92/90/10/1348929010.db2.gz FOHRRXNJTOYECE-UHFFFAOYSA-N -1 3 335.367 2.362 20 30 EEEDHM C=CCOc1ccccc1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001588689337 1348929015 /nfs/dbraw/zinc/92/90/15/1348929015.db2.gz FOHRRXNJTOYECE-UHFFFAOYSA-N -1 3 335.367 2.362 20 30 EEEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)NC(=O)CO2 ZINC001588780704 1348935103 /nfs/dbraw/zinc/93/51/03/1348935103.db2.gz KEJPVQKAYUAWBR-UHFFFAOYSA-N -1 3 349.354 2.034 20 30 EEEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)NC(=O)CO2 ZINC001588780704 1348935106 /nfs/dbraw/zinc/93/51/06/1348935106.db2.gz KEJPVQKAYUAWBR-UHFFFAOYSA-N -1 3 349.354 2.034 20 30 EEEDHM CC(C)(C)[C@@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001589085854 1348957788 /nfs/dbraw/zinc/95/77/88/1348957788.db2.gz KPCNAYMFUOUKDR-PMUMKWKESA-N -1 3 338.415 2.415 20 30 EEEDHM CC(C)(C)[C@@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001589085854 1348957792 /nfs/dbraw/zinc/95/77/92/1348957792.db2.gz KPCNAYMFUOUKDR-PMUMKWKESA-N -1 3 338.415 2.415 20 30 EEEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCCC#N ZINC001589488746 1348995414 /nfs/dbraw/zinc/99/54/14/1348995414.db2.gz ZMNXQJFEMPPFEO-AWEZNQCLSA-N -1 3 329.360 2.117 20 30 EEEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCCC#N ZINC001589488746 1348995417 /nfs/dbraw/zinc/99/54/17/1348995417.db2.gz ZMNXQJFEMPPFEO-AWEZNQCLSA-N -1 3 329.360 2.117 20 30 EEEDHM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590284912 1349247094 /nfs/dbraw/zinc/24/70/94/1349247094.db2.gz NTEVBOLVRIGCOL-IATRGZMQSA-N -1 3 338.415 2.052 20 30 EEEDHM CN(Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1)[C@@H]1CCC[C@@H]1C#N ZINC001591154571 1349442297 /nfs/dbraw/zinc/44/22/97/1349442297.db2.gz ZPHADWBQNKEXGH-NVXWUHKLSA-N -1 3 348.414 2.312 20 30 EEEDHM CN(Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1)[C@@H]1CCC[C@@H]1C#N ZINC001591154571 1349442303 /nfs/dbraw/zinc/44/23/03/1349442303.db2.gz ZPHADWBQNKEXGH-NVXWUHKLSA-N -1 3 348.414 2.312 20 30 EEEDHM COc1cc(C(=O)Nc2cc(C)cc(-c3nnn[n-]3)c2)ccc1C#N ZINC001591516731 1349494415 /nfs/dbraw/zinc/49/44/15/1349494415.db2.gz LSKXFOWHPDLHMN-UHFFFAOYSA-N -1 3 334.339 2.308 20 30 EEEDHM COc1cc(C(=O)Nc2cc(C)cc(-c3nn[n-]n3)c2)ccc1C#N ZINC001591516731 1349494423 /nfs/dbraw/zinc/49/44/23/1349494423.db2.gz LSKXFOWHPDLHMN-UHFFFAOYSA-N -1 3 334.339 2.308 20 30 EEEDHM COc1cc(OCC(=O)c2ccc(C#N)cc2)cc(-c2nnn[n-]2)c1 ZINC001591553608 1349506146 /nfs/dbraw/zinc/50/61/46/1349506146.db2.gz HZYCDBJSEPMVDZ-UHFFFAOYSA-N -1 3 335.323 2.009 20 30 EEEDHM COc1cc(OCC(=O)c2ccc(C#N)cc2)cc(-c2nn[n-]n2)c1 ZINC001591553608 1349506148 /nfs/dbraw/zinc/50/61/48/1349506148.db2.gz HZYCDBJSEPMVDZ-UHFFFAOYSA-N -1 3 335.323 2.009 20 30 EEEDHM Cc1ccc(-c2nc(Cn3cnc(C#N)c3-c3nnn[n-]3)cs2)o1 ZINC001592074149 1349589259 /nfs/dbraw/zinc/58/92/59/1349589259.db2.gz WYHWYOUQVGNAOG-UHFFFAOYSA-N -1 3 338.356 2.008 20 30 EEEDHM Cc1ccc(SCC(=O)N[C@](C)(C#N)C(C)C)c(-c2nnn[n-]2)c1 ZINC001592196569 1349603662 /nfs/dbraw/zinc/60/36/62/1349603662.db2.gz DOZBEGNHBOPGLL-MRXNPFEDSA-N -1 3 344.444 2.322 20 30 EEEDHM Cc1ccc(SCC(=O)N[C@](C)(C#N)C(C)C)c(-c2nn[n-]n2)c1 ZINC001592196569 1349603670 /nfs/dbraw/zinc/60/36/70/1349603670.db2.gz DOZBEGNHBOPGLL-MRXNPFEDSA-N -1 3 344.444 2.322 20 30 EEEDHM Cc1ccc(SCCn2cnc(C#N)c2-c2nnn[n-]2)cc1C ZINC001592198437 1349605859 /nfs/dbraw/zinc/60/58/59/1349605859.db2.gz QIZMMIWDPGXIAN-UHFFFAOYSA-N -1 3 325.401 2.344 20 30 EEEDHM Cn1cc(C#N)cc1C(=O)N(c1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC001592563482 1349658857 /nfs/dbraw/zinc/65/88/57/1349658857.db2.gz NNVRSVIMRALAQW-UHFFFAOYSA-N -1 3 347.382 2.276 20 30 EEEDHM Cn1cc(C#N)cc1C(=O)N(c1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC001592563482 1349658858 /nfs/dbraw/zinc/65/88/58/1349658858.db2.gz NNVRSVIMRALAQW-UHFFFAOYSA-N -1 3 347.382 2.276 20 30 EEEDHM N#C[C@@]1(c2ccccn2)CCCN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001592671904 1349704086 /nfs/dbraw/zinc/70/40/86/1349704086.db2.gz ZQBSUWBVXWDWII-IBGZPJMESA-N -1 3 345.410 2.319 20 30 EEEDHM N#Cc1ccc(OCCCOC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001592695698 1349708036 /nfs/dbraw/zinc/70/80/36/1349708036.db2.gz GFVUGGYZGJLJKR-UHFFFAOYSA-N -1 3 349.350 2.364 20 30 EEEDHM N#Cc1ccc(OCCCOC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001592695698 1349708039 /nfs/dbraw/zinc/70/80/39/1349708039.db2.gz GFVUGGYZGJLJKR-UHFFFAOYSA-N -1 3 349.350 2.364 20 30 EEEDHM N#Cc1cccc(C#N)c1N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001592700695 1349708526 /nfs/dbraw/zinc/70/85/26/1349708526.db2.gz PZMQBSIAEPRNQX-MRXNPFEDSA-N -1 3 327.351 2.189 20 30 EEEDHM N#Cc1cccc(C#N)c1N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001592700695 1349708528 /nfs/dbraw/zinc/70/85/28/1349708528.db2.gz PZMQBSIAEPRNQX-MRXNPFEDSA-N -1 3 327.351 2.189 20 30 EEEDHM N#Cc1ncccc1NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC001592710013 1349709850 /nfs/dbraw/zinc/70/98/50/1349709850.db2.gz SYIYIFOZVUJHQC-UHFFFAOYSA-N -1 3 343.354 2.136 20 30 EEEDHM N#Cc1ncccc1NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC001592710013 1349709851 /nfs/dbraw/zinc/70/98/51/1349709851.db2.gz SYIYIFOZVUJHQC-UHFFFAOYSA-N -1 3 343.354 2.136 20 30 EEEDHM N#Cc1cccc(OCCN2CCC(O)(C3(C(=O)[O-])CCC3)CC2)c1 ZINC001601123910 1350215523 /nfs/dbraw/zinc/21/55/23/1350215523.db2.gz ZVAUQVKOZWZXQY-UHFFFAOYSA-N -1 3 344.411 2.019 20 30 EEEDHM C#C[C@H]1CCCN(c2cccc(Br)c2-c2nnn[n-]2)C1 ZINC001602696512 1350574821 /nfs/dbraw/zinc/57/48/21/1350574821.db2.gz JYSHSRLJDYMLGF-JTQLQIEISA-N -1 3 332.205 2.479 20 30 EEEDHM C#C[C@H]1CCCN(c2cccc(Br)c2-c2nn[n-]n2)C1 ZINC001602696512 1350574824 /nfs/dbraw/zinc/57/48/24/1350574824.db2.gz JYSHSRLJDYMLGF-JTQLQIEISA-N -1 3 332.205 2.479 20 30 EEEDHM C#C[C@H](CC)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001602690403 1350573292 /nfs/dbraw/zinc/57/32/92/1350573292.db2.gz UYEYIAMAVJEDHL-CQSZACIVSA-N -1 3 348.366 2.196 20 30 EEEDHM C#C[C@H](CC)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001602690403 1350573294 /nfs/dbraw/zinc/57/32/94/1350573294.db2.gz UYEYIAMAVJEDHL-CQSZACIVSA-N -1 3 348.366 2.196 20 30 EEEDHM C#CC1(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001602690313 1350573881 /nfs/dbraw/zinc/57/38/81/1350573881.db2.gz BKOVGRVIUGULEJ-UHFFFAOYSA-N -1 3 327.413 2.021 20 30 EEEDHM C#CC1(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001602690313 1350573886 /nfs/dbraw/zinc/57/38/86/1350573886.db2.gz BKOVGRVIUGULEJ-UHFFFAOYSA-N -1 3 327.413 2.021 20 30 EEEDHM C#C[C@@H]1CCCN(c2nccc(Oc3cccc(-c4nnn[n-]4)c3)n2)C1 ZINC001602696592 1350574868 /nfs/dbraw/zinc/57/48/68/1350574868.db2.gz KNJKKYMUPOYYNT-CYBMUJFWSA-N -1 3 347.382 2.299 20 30 EEEDHM C#C[C@@H]1CCCN(c2nccc(Oc3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC001602696592 1350574871 /nfs/dbraw/zinc/57/48/71/1350574871.db2.gz KNJKKYMUPOYYNT-CYBMUJFWSA-N -1 3 347.382 2.299 20 30 EEEDHM C#Cc1cccc(NC(=O)[C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001602741431 1350579181 /nfs/dbraw/zinc/57/91/81/1350579181.db2.gz KRROYSQCAIQSFX-MRXNPFEDSA-N -1 3 342.362 2.169 20 30 EEEDHM C#Cc1cccc(NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001602741431 1350579182 /nfs/dbraw/zinc/57/91/82/1350579182.db2.gz KRROYSQCAIQSFX-MRXNPFEDSA-N -1 3 342.362 2.169 20 30 EEEDHM C#Cc1cncc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC001602743211 1350579786 /nfs/dbraw/zinc/57/97/86/1350579786.db2.gz SXMJFLPZKAWCPP-UHFFFAOYSA-N -1 3 344.378 2.048 20 30 EEEDHM C#Cc1cncc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC001602743211 1350579788 /nfs/dbraw/zinc/57/97/88/1350579788.db2.gz SXMJFLPZKAWCPP-UHFFFAOYSA-N -1 3 344.378 2.048 20 30 EEEDHM C=C(C)CN(CC)C(=O)CN1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001602761869 1350582620 /nfs/dbraw/zinc/58/26/20/1350582620.db2.gz IBBSKQDLTFVJTN-SJORKVTESA-N -1 3 330.428 2.211 20 30 EEEDHM C=C(C)CCC(=O)N1CCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001602756612 1350583004 /nfs/dbraw/zinc/58/30/04/1350583004.db2.gz SDTZCWISCJBQQB-ZDUSSCGKSA-N -1 3 341.419 2.021 20 30 EEEDHM C=C(C)CCC(=O)N1CCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001602756612 1350583006 /nfs/dbraw/zinc/58/30/06/1350583006.db2.gz SDTZCWISCJBQQB-ZDUSSCGKSA-N -1 3 341.419 2.021 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001602769838 1350584579 /nfs/dbraw/zinc/58/45/79/1350584579.db2.gz NPUVPHIXJNSOMV-ZWNOBZJWSA-N -1 3 333.779 2.440 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001602769838 1350584585 /nfs/dbraw/zinc/58/45/85/1350584585.db2.gz NPUVPHIXJNSOMV-ZWNOBZJWSA-N -1 3 333.779 2.440 20 30 EEEDHM C=C[C@H](CC)CC(=O)NC[C@@H](CC)Nc1ncccc1-c1nnn[n-]1 ZINC001602800467 1350588568 /nfs/dbraw/zinc/58/85/68/1350588568.db2.gz MIFKMHSEILAITL-CHWSQXEVSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@H](CC)CC(=O)NC[C@@H](CC)Nc1ncccc1-c1nn[n-]n1 ZINC001602800467 1350588569 /nfs/dbraw/zinc/58/85/69/1350588569.db2.gz MIFKMHSEILAITL-CHWSQXEVSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCCC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)[C@@H]1C ZINC001602826687 1350591869 /nfs/dbraw/zinc/59/18/69/1350591869.db2.gz KNLYNSHXLRDPET-YPMHNXCESA-N -1 3 344.394 2.055 20 30 EEEDHM C=CCCC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)[C@@H]1C ZINC001602826687 1350591874 /nfs/dbraw/zinc/59/18/74/1350591874.db2.gz KNLYNSHXLRDPET-YPMHNXCESA-N -1 3 344.394 2.055 20 30 EEEDHM C=CCC[C@H]1CCCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001602833329 1350593030 /nfs/dbraw/zinc/59/30/30/1350593030.db2.gz JZQDIWUHCNEIHR-AWEZNQCLSA-N -1 3 327.388 2.203 20 30 EEEDHM C=CCC[C@H]1CCCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001602833329 1350593033 /nfs/dbraw/zinc/59/30/33/1350593033.db2.gz JZQDIWUHCNEIHR-AWEZNQCLSA-N -1 3 327.388 2.203 20 30 EEEDHM CC(C)(C)C#CC(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001603054286 1350628593 /nfs/dbraw/zinc/62/85/93/1350628593.db2.gz BHKAWXWHSXEHGV-UHFFFAOYSA-N -1 3 328.372 2.228 20 30 EEEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)CNC1(CC(=O)[O-])CC1 ZINC001603131585 1350646871 /nfs/dbraw/zinc/64/68/71/1350646871.db2.gz HPFSFGCNGXZYET-LBPRGKRZSA-N -1 3 347.440 2.474 20 30 EEEDHM CCOC(=O)[C@@]1(C)CCC[C@@H]1Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001604367786 1350924491 /nfs/dbraw/zinc/92/44/91/1350924491.db2.gz SVCDKZAEWWWECS-GUYCJALGSA-N -1 3 340.387 2.272 20 30 EEEDHM CCOC(=O)[C@@]1(C)CCC[C@@H]1Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001604367786 1350924492 /nfs/dbraw/zinc/92/44/92/1350924492.db2.gz SVCDKZAEWWWECS-GUYCJALGSA-N -1 3 340.387 2.272 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C#N)cc1[N+](=O)[O-] ZINC001605188037 1351098915 /nfs/dbraw/zinc/09/89/15/1351098915.db2.gz BOVYDIPLCUIBSD-UHFFFAOYSA-N -1 3 338.283 2.447 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C#N)cc1[N+](=O)[O-] ZINC001605188037 1351098919 /nfs/dbraw/zinc/09/89/19/1351098919.db2.gz BOVYDIPLCUIBSD-UHFFFAOYSA-N -1 3 338.283 2.447 20 30 EEEDHM Cc1cc(C(=O)NCc2ccc(CC#N)cc2)cc(C)c1-c1nnn[n-]1 ZINC001605619703 1351202934 /nfs/dbraw/zinc/20/29/34/1351202934.db2.gz BVMWSKKVGRBRAT-UHFFFAOYSA-N -1 3 346.394 2.480 20 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/nfs/dbraw/zinc/29/95/55/1351299555.db2.gz ZUIIVZWAJPNJPL-UHFFFAOYSA-N -1 3 326.282 2.119 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCCOCC(F)(F)F ZINC001606380457 1351299556 /nfs/dbraw/zinc/29/95/56/1351299556.db2.gz ZUIIVZWAJPNJPL-UHFFFAOYSA-N -1 3 326.282 2.119 20 30 EEEDHM O=[N+]([O-])c1ccccc1NN=Cc1c(F)cc(-c2nnn[n-]2)cc1F ZINC001607085025 1351412094 /nfs/dbraw/zinc/41/20/94/1351412094.db2.gz GTLSQOXXUCCTPA-UHFFFAOYSA-N -1 3 345.269 2.499 20 30 EEEDHM O=[N+]([O-])c1ccccc1NN=Cc1c(F)cc(-c2nn[n-]n2)cc1F ZINC001607085025 1351412096 /nfs/dbraw/zinc/41/20/96/1351412096.db2.gz GTLSQOXXUCCTPA-UHFFFAOYSA-N -1 3 345.269 2.499 20 30 EEEDHM Cn1c(C#N)ccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC001362451283 1373412989 /nfs/dbraw/zinc/41/29/89/1373412989.db2.gz NVALQXHRILNBDU-UHFFFAOYSA-N -1 3 334.173 2.295 20 30 EEEDHM C=C(Cl)CNC[C@@]1(NC(=O)c2[nH]nc(C)c2[O-])CCCC[C@H]1C ZINC001391811966 1389622266 /nfs/dbraw/zinc/62/22/66/1389622266.db2.gz UALSCIWRGZTWRU-HWPZZCPQSA-N -1 3 340.855 2.445 20 30 EEEDHM CC(C)(CCC#N)CNC(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001573901373 1403517615 /nfs/dbraw/zinc/51/76/15/1403517615.db2.gz XMFMNDRGNMDICN-UHFFFAOYSA-N -1 3 333.421 2.057 20 30 EEEDHM CCc1ccc(NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001578526263 1403768626 /nfs/dbraw/zinc/76/86/26/1403768626.db2.gz IPBQSMCZPFCRSV-OAHLLOKOSA-N -1 3 347.382 2.145 20 30 EEEDHM Cc1cc(C(=O)OCc2ccc(C#N)cn2)cc(C)c1-c1nnn[n-]1 ZINC001580889337 1403875116 /nfs/dbraw/zinc/87/51/16/1403875116.db2.gz QJBPLQHQQPOPQY-UHFFFAOYSA-N -1 3 334.339 2.107 20 30 EEEDHM Cc1cc(C(=O)OCc2ccc(C#N)cn2)cc(C)c1-c1nn[n-]n1 ZINC001580889337 1403875119 /nfs/dbraw/zinc/87/51/19/1403875119.db2.gz QJBPLQHQQPOPQY-UHFFFAOYSA-N -1 3 334.339 2.107 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC001591841241 1403958516 /nfs/dbraw/zinc/95/85/16/1403958516.db2.gz SKVGHMWCXCBJNE-XJKSGUPXSA-N -1 3 338.415 2.177 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC001591841241 1403958522 /nfs/dbraw/zinc/95/85/22/1403958522.db2.gz SKVGHMWCXCBJNE-XJKSGUPXSA-N -1 3 338.415 2.177 20 30 EEEDHM N#CC1(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)CC1 ZINC001592667575 1404707634 /nfs/dbraw/zinc/70/76/34/1404707634.db2.gz ZILDTEPOAFRTAC-UHFFFAOYSA-N -1 3 349.297 2.205 20 30 EEEDHM N#CC1(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)CC1 ZINC001592667575 1404707639 /nfs/dbraw/zinc/70/76/39/1404707639.db2.gz ZILDTEPOAFRTAC-UHFFFAOYSA-N -1 3 349.297 2.205 20 30 EEEDHM N#C[C@@]1(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)CC12CCCC2 ZINC001592669226 1404710438 /nfs/dbraw/zinc/71/04/38/1404710438.db2.gz MLLGRSJEAVPUCS-GOSISDBHSA-N -1 3 334.383 2.230 20 30 EEEDHM N#C[C@@]1(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)CC12CCCC2 ZINC001592669226 1404710444 /nfs/dbraw/zinc/71/04/44/1404710444.db2.gz MLLGRSJEAVPUCS-GOSISDBHSA-N -1 3 334.383 2.230 20 30 EEEDHM N#Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)c(Cl)n2)cc1 ZINC001592695249 1404716260 /nfs/dbraw/zinc/71/62/60/1404716260.db2.gz KRYPRVPNOLQUCG-UHFFFAOYSA-N -1 3 325.719 2.039 20 30 EEEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cc2n(n1)CCCC2 ZINC001592792296 1404723616 /nfs/dbraw/zinc/72/36/16/1404723616.db2.gz ZHFPMYXJGNTABA-SNAWJCMRSA-N -1 3 326.385 2.357 20 30 EEEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cc2n(n1)CCCC2 ZINC001592792296 1404723623 /nfs/dbraw/zinc/72/36/23/1404723623.db2.gz ZHFPMYXJGNTABA-SNAWJCMRSA-N -1 3 326.385 2.357 20 30 EEEDHM N#C[C@H](NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001606339961 1404797210 /nfs/dbraw/zinc/79/72/10/1404797210.db2.gz BHQACDGWKVUYAW-AWEZNQCLSA-N -1 3 328.351 2.208 20 30 EEEDHM N#C[C@H](NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001606339961 1404797216 /nfs/dbraw/zinc/79/72/16/1404797216.db2.gz BHQACDGWKVUYAW-AWEZNQCLSA-N -1 3 328.351 2.208 20 30 EEEDHM N#C[C@@]1(C(=O)N2Cc3cccc(-c4nnn[n-]4)c3C2)CC12CCCC2 ZINC001606340494 1404798209 /nfs/dbraw/zinc/79/82/09/1404798209.db2.gz RKGYJMCFOWWSKH-GOSISDBHSA-N -1 3 334.383 2.183 20 30 EEEDHM N#C[C@@]1(C(=O)N2Cc3cccc(-c4nn[n-]n4)c3C2)CC12CCCC2 ZINC001606340494 1404798219 /nfs/dbraw/zinc/79/82/19/1404798219.db2.gz RKGYJMCFOWWSKH-GOSISDBHSA-N -1 3 334.383 2.183 20 30 EEEDHM C=CC(C)(C)C(=O)NC[C@@H](CCCC)NC(=O)c1c(C)nc[n-]c1=O ZINC001756114759 1408148464 /nfs/dbraw/zinc/14/84/64/1408148464.db2.gz FPHDNWPPRCINDG-CYBMUJFWSA-N -1 3 348.447 2.108 20 30 EEEDHM CC#CCCCC(=O)N[C@@H](C)C1CN(C(=O)c2ccccc2[O-])C1 ZINC001756153529 1408183237 /nfs/dbraw/zinc/18/32/37/1408183237.db2.gz KTZQFRGJKODVPJ-AWEZNQCLSA-N -1 3 328.412 2.163 20 30 EEEDHM N#Cc1ccc(N2CCCC[C@@H](NC(=O)c3ccccc3[O-])C2)nc1 ZINC001063163575 790285724 /nfs/dbraw/zinc/28/57/24/790285724.db2.gz JORORKHNORIRRM-OAHLLOKOSA-N -1 3 336.395 2.448 20 30 EEEDHM Cc1cc(N[C@H](CNC(=O)c2ccccc2[O-])C(C)C)c(C#N)cn1 ZINC001105134574 769130108 /nfs/dbraw/zinc/13/01/08/769130108.db2.gz ZLZGJWDOFBXAKL-QGZVFWFLSA-N -1 3 338.411 2.256 20 30 EEEDHM C[C@H](NC(=O)c1ccccc1[O-])[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000945634471 784480781 /nfs/dbraw/zinc/48/07/81/784480781.db2.gz OTKCPUMTHUBSQC-GOEBONIOSA-N -1 3 340.423 2.163 20 30 EEEDHM COc1cc(C=NN[C@@H]2CCC[C@H]2O)cc(Br)c1[O-] ZINC000817330713 784701174 /nfs/dbraw/zinc/70/11/74/784701174.db2.gz PJZMBXWMRYEISY-GHMZBOCLSA-N -1 3 329.194 2.000 20 30 EEEDHM CCCO[C@H](C(=O)N[C@@H]1CCCN([O-])C1=O)c1ccc(F)cc1C ZINC000820544139 785960132 /nfs/dbraw/zinc/96/01/32/785960132.db2.gz FIHRHCMUTBPHRD-CABCVRRESA-N -1 3 338.379 2.098 20 30 EEEDHM C=CCCOCC(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001062257641 787732612 /nfs/dbraw/zinc/73/26/12/787732612.db2.gz RQEDDSUQSZHRLC-OAHLLOKOSA-N -1 3 346.427 2.096 20 30 EEEDHM C=CCCC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000823894293 787985318 /nfs/dbraw/zinc/98/53/18/787985318.db2.gz MOKBLKFKXHAEMN-OLZOCXBDSA-N -1 3 329.404 2.495 20 30 EEEDHM C=C(C)CNC(=S)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000054984379 789041585 /nfs/dbraw/zinc/04/15/85/789041585.db2.gz YVPOBQCXIVBSDF-UHFFFAOYSA-N -1 3 343.474 2.319 20 30 EEEDHM C=C(C)CN1CCC(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000780565078 791829094 /nfs/dbraw/zinc/82/90/94/791829094.db2.gz GYBVDPCRRKYUAJ-KRWDZBQOSA-N -1 3 345.443 2.022 20 30 EEEDHM Cc1cc(C#N)nc(N[C@@H](C)C[C@@H](C)NC(=O)c2ccccc2[O-])n1 ZINC001089245025 793594092 /nfs/dbraw/zinc/59/40/92/793594092.db2.gz UMLKBQBOJBKZPC-NEPJUHHUSA-N -1 3 339.399 2.371 20 30 EEEDHM N#Cc1cc([N+](=O)[O-])ccc1NCCNC(=O)c1ccccc1[O-] ZINC001093482117 795267529 /nfs/dbraw/zinc/26/75/29/795267529.db2.gz GVOTYOJWEHKBDA-UHFFFAOYSA-N -1 3 326.312 2.014 20 30 EEEDHM N#Cc1cnc(NC2(CNC(=O)c3ccccc3[O-])CC2)c(F)c1 ZINC001110075725 806498470 /nfs/dbraw/zinc/49/84/70/806498470.db2.gz KTRACKHEGLRMKX-UHFFFAOYSA-N -1 3 326.331 2.172 20 30 EEEDHM COc1ccccc1NC(=S)NN=C1C(=O)Nc2cc([O-])ccc21 ZINC000915942756 797460711 /nfs/dbraw/zinc/46/07/11/797460711.db2.gz HQRPGQHSJMXBRP-UHFFFAOYSA-N -1 3 342.380 2.044 20 30 EEEDHM C=CCn1cc(Nc2nc[n-]c(=O)c2CC(OCC)OCC)cn1 ZINC001176543692 798473881 /nfs/dbraw/zinc/47/38/81/798473881.db2.gz OKWGKCBHZDGYEE-UHFFFAOYSA-N -1 3 333.392 2.250 20 30 EEEDHM 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ZINC000826386359 608066934 /nfs/dbraw/zinc/06/69/34/608066934.db2.gz ASGGXLXJKQIJCW-SFHVURJKSA-N -1 3 346.394 2.312 20 30 EEEDHM N#Cc1cccc([C@@H]2CN(Cc3cccc(-c4nn[n-]n4)c3)CCO2)c1 ZINC000826386359 608066935 /nfs/dbraw/zinc/06/69/35/608066935.db2.gz ASGGXLXJKQIJCW-SFHVURJKSA-N -1 3 346.394 2.312 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1OCc1cccc(C#N)c1F ZINC000826176127 608669540 /nfs/dbraw/zinc/66/95/40/608669540.db2.gz CAJMLKLGMVAYBG-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1OCc1cccc(C#N)c1F ZINC000826176127 608669541 /nfs/dbraw/zinc/66/95/41/608669541.db2.gz CAJMLKLGMVAYBG-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM CCC[C@H](C#N)NC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000825225147 608843641 /nfs/dbraw/zinc/84/36/41/608843641.db2.gz MTJCHZJVIDLPMV-DOMZBBRYSA-N -1 3 342.403 2.079 20 30 EEEDHM CCC[C@H](C#N)NC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000825225147 608843643 /nfs/dbraw/zinc/84/36/43/608843643.db2.gz MTJCHZJVIDLPMV-DOMZBBRYSA-N -1 3 342.403 2.079 20 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C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1cc(F)c(F)cc1[O-] ZINC001273373708 1198386348 /nfs/dbraw/zinc/38/63/48/1198386348.db2.gz GLVBZHXJBCWLRI-SFHVURJKSA-N -1 3 334.366 2.261 20 30 EEEDHM Cc1cccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1O ZINC000814822697 1199748286 /nfs/dbraw/zinc/74/82/86/1199748286.db2.gz ZFXYAMXLFLYPRI-UHFFFAOYSA-N -1 3 349.368 2.062 20 30 EEEDHM O=C(Nc1ccc(OC2CCC2)c(F)c1)N[C@H]1CCCN([O-])C1=O ZINC000878874206 1200724971 /nfs/dbraw/zinc/72/49/71/1200724971.db2.gz UTOFJQOXSWCKQM-ZDUSSCGKSA-N -1 3 337.351 2.259 20 30 EEEDHM Cc1cccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c1Br ZINC000879229979 1200940026 /nfs/dbraw/zinc/94/00/26/1200940026.db2.gz GMDSLQXVUVUBFW-SNVBAGLBSA-N -1 3 342.193 2.259 20 30 EEEDHM C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3ccccc3[O-])[C@@H]2C)cc1 ZINC001011951214 1224759350 /nfs/dbraw/zinc/75/93/50/1224759350.db2.gz MMOPYQMUGBEPNU-KSSFIOAISA-N -1 3 348.402 2.407 20 30 EEEDHM C=CCN1C[C@@]2(CCN(Cc3ccc(Cl)c([O-])c3)C2)OCC1=O ZINC001274182329 1204440874 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Cc1cc(C(=O)/C=C/c2cn(C[C@H]3CCCO3)nn2)cc(O)c1[O-] ZINC000901523214 1235917168 /nfs/dbraw/zinc/91/71/68/1235917168.db2.gz NWBDTIFIJGFBDW-ISZGNANSSA-N -1 3 329.356 2.073 20 30 EEEDHM C=CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1[O-])C2 ZINC001047387675 1235948535 /nfs/dbraw/zinc/94/85/35/1235948535.db2.gz WPABGWSKSDXCIL-ZNMIVQPWSA-N -1 3 328.412 2.468 20 30 EEEDHM C#CCCCC(=O)N1CCC[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001056654245 1239574830 /nfs/dbraw/zinc/57/48/30/1239574830.db2.gz JYYQGNJAWUNFMH-DOTOQJQBSA-N -1 3 340.423 2.259 20 30 EEEDHM C#CCCCCC(=O)NC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001052029696 1246394935 /nfs/dbraw/zinc/39/49/35/1246394935.db2.gz ZBFYMEJBVNRGGS-JKSUJKDBSA-N -1 3 342.439 2.410 20 30 EEEDHM C=C(Cl)CN1Cc2ccc(CNC(=O)c3cnc[n-]c3=O)cc2C1 ZINC001054270525 1247957480 /nfs/dbraw/zinc/95/74/80/1247957480.db2.gz QSXMFQWVAGJHJI-UHFFFAOYSA-N -1 3 344.802 2.180 20 30 EEEDHM Cc1cc(N[C@@H]2C[C@@H](C)N(C(=O)c3ccccc3[O-])C2)c(C#N)cn1 ZINC001069016264 1252084101 /nfs/dbraw/zinc/08/41/01/1252084101.db2.gz DNASTRIRFNZKHR-UKRRQHHQSA-N -1 3 336.395 2.104 20 30 EEEDHM CC#CCCCC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001071636356 1254445319 /nfs/dbraw/zinc/44/53/19/1254445319.db2.gz HAFDGFJZTBFVIY-GOEBONIOSA-N -1 3 328.412 2.163 20 30 EEEDHM C#C[C@H](CC)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000831298345 1281874881 /nfs/dbraw/zinc/87/48/81/1281874881.db2.gz AQDFEQIZAUYAKP-SSDOTTSWSA-N -1 3 337.626 2.188 20 30 EEEDHM COc1cc(C#N)ccc1C(=O)Nc1cc(NC(C)=O)ccc1[O-] ZINC001192268938 1281905631 /nfs/dbraw/zinc/90/56/31/1281905631.db2.gz VLTXMFWXKDCBEZ-UHFFFAOYSA-N -1 3 325.324 2.483 20 30 EEEDHM N#CC1([N-]S(=O)(=O)c2ccc(Br)cn2)CCCCC1 ZINC001196179626 1283937813 /nfs/dbraw/zinc/93/78/13/1283937813.db2.gz VCOVXGLCVRPCAX-UHFFFAOYSA-N -1 3 344.234 2.349 20 30 EEEDHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(C#N)c2)ccc1O ZINC001197234437 1284512521 /nfs/dbraw/zinc/51/25/21/1284512521.db2.gz VPXXJYRXGWXKIB-UHFFFAOYSA-N -1 3 346.364 2.160 20 30 EEEDHM C=C(C)CN[C@@H](CNC(=O)c1ncccc1[O-])c1ccccc1OC ZINC001198685603 1285297112 /nfs/dbraw/zinc/29/71/12/1285297112.db2.gz AZPHFWSBQDVTEE-HNNXBMFYSA-N -1 3 341.411 2.433 20 30 EEEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cccnc1OC(F)(F)F ZINC001199373955 1285635119 /nfs/dbraw/zinc/63/51/19/1285635119.db2.gz GPGFSKYDAUYXIE-UHFFFAOYSA-N -1 3 340.261 2.419 20 30 EEEDHM N#Cc1ccc(N2CC[C@@H](CCNC(=O)c3ccccc3[O-])C2)nc1 ZINC001102278642 1300726008 /nfs/dbraw/zinc/72/60/08/1300726008.db2.gz PBGBQFSRUXSXAI-CQSZACIVSA-N -1 3 336.395 2.305 20 30 EEEDHM CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1ccc2c([O-])coc2c1 ZINC001225340298 1300970095 /nfs/dbraw/zinc/97/00/95/1300970095.db2.gz HNXKRDWISFWUDC-OAHLLOKOSA-N -1 3 332.428 2.453 20 30 EEEDHM CCC1=C(Oc2[n-]c(=O)nc3cc(OC)c(OC)cc32)C(=O)[C@H](C)O1 ZINC001227283737 1301764246 /nfs/dbraw/zinc/76/42/46/1301764246.db2.gz ZFGOHAUOQWDHAE-QMMMGPOBSA-N -1 3 346.339 2.341 20 30 EEEDHM N#Cc1ccnc(N2CCC(Oc3[n-]c(=O)nc4cccnc43)CC2)c1 ZINC001228005792 1302055016 /nfs/dbraw/zinc/05/50/16/1302055016.db2.gz UYCVRQNFYLCTPV-UHFFFAOYSA-N -1 3 348.366 2.045 20 30 EEEDHM CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001231075398 1303612137 /nfs/dbraw/zinc/61/21/37/1303612137.db2.gz BHWCDMPPEUUMKU-CQSZACIVSA-N -1 3 344.447 2.058 20 30 EEEDHM CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231075398 1303612146 /nfs/dbraw/zinc/61/21/46/1303612146.db2.gz BHWCDMPPEUUMKU-CQSZACIVSA-N -1 3 344.447 2.058 20 30 EEEDHM COc1ccc(Oc2ccc(C=NN3CC(=O)[N-]C3=O)cc2)cc1 ZINC000783815954 1304357924 /nfs/dbraw/zinc/35/79/24/1304357924.db2.gz MCECDEMQEVLMAP-UHFFFAOYSA-N -1 3 325.324 2.373 20 30 EEEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000797453865 1304747531 /nfs/dbraw/zinc/74/75/31/1304747531.db2.gz FFRDENJGYKJCSO-RYUDHWBXSA-N -1 3 334.224 2.453 20 30 EEEDHM C=CCN(C(C)C)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000799764001 1305415939 /nfs/dbraw/zinc/41/59/39/1305415939.db2.gz PSDOOZLBEXKTKX-UHFFFAOYSA-N -1 3 341.824 2.105 20 30 EEEDHM C=CCN(C(C)C)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000799764001 1305415948 /nfs/dbraw/zinc/41/59/48/1305415948.db2.gz PSDOOZLBEXKTKX-UHFFFAOYSA-N -1 3 341.824 2.105 20 30 EEEDHM C=C(C)Cn1c(CCc2nnn[n-]2)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001122530602 1310320887 /nfs/dbraw/zinc/32/08/87/1310320887.db2.gz LIXXDLRCGFHCDI-ZDUSSCGKSA-N -1 3 344.467 2.025 20 30 EEEDHM C=C(C)Cn1c(CCc2nn[n-]n2)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001122530602 1310320895 /nfs/dbraw/zinc/32/08/95/1310320895.db2.gz LIXXDLRCGFHCDI-ZDUSSCGKSA-N -1 3 344.467 2.025 20 30 EEEDHM Cc1ncc(CO)c(/C=N\Cc2cccc(N3CCOCC3)c2)c1[O-] ZINC000840707086 1315401298 /nfs/dbraw/zinc/40/12/98/1315401298.db2.gz SCKVPTODWDHPLJ-NDENLUEZSA-N -1 3 341.411 2.044 20 30 EEEDHM N#Cc1cc(F)c([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1F ZINC001259848983 1319706483 /nfs/dbraw/zinc/70/64/83/1319706483.db2.gz DKYYGASRKZTTIS-UHFFFAOYSA-N -1 3 338.291 2.366 20 30 EEEDHM N#Cc1cnc(C[N-]S(=O)(=O)Cc2ccccc2Cl)s1 ZINC001260698382 1319948635 /nfs/dbraw/zinc/94/86/35/1319948635.db2.gz AQLGAWVHGVPGBR-UHFFFAOYSA-N -1 3 327.818 2.288 20 30 EEEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC001261550303 1322129867 /nfs/dbraw/zinc/12/98/67/1322129867.db2.gz UDQQKXDTEUTPQQ-JTQLQIEISA-N -1 3 341.289 2.297 20 30 EEEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cn2c(n1)CCCC2 ZINC001263293214 1322454184 /nfs/dbraw/zinc/45/41/84/1322454184.db2.gz GVWHFCVIHWQEIR-LBPRGKRZSA-N -1 3 338.367 2.189 20 30 EEEDHM Cc1oc(C#N)cc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC001606172419 1351281914 /nfs/dbraw/zinc/28/19/14/1351281914.db2.gz SUEPIIUHOQJWPU-UHFFFAOYSA-N -1 3 327.275 2.136 20 30 EEEDHM Cc1oc(C#N)cc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC001606172419 1351281918 /nfs/dbraw/zinc/28/19/18/1351281918.db2.gz SUEPIIUHOQJWPU-UHFFFAOYSA-N -1 3 327.275 2.136 20 30 EEEDHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F ZINC001309711367 1331639000 /nfs/dbraw/zinc/63/90/00/1331639000.db2.gz CPOFENVYUPBGMX-UHFFFAOYSA-N -1 3 329.393 2.493 20 30 EEEDHM CC(C)(CC#N)CNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001609082720 1351834437 /nfs/dbraw/zinc/83/44/37/1351834437.db2.gz AGVPERSCCXNFDF-UHFFFAOYSA-N -1 3 330.417 2.015 20 30 EEEDHM CC(C)(CC#N)CNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001609082720 1351834438 /nfs/dbraw/zinc/83/44/38/1351834438.db2.gz AGVPERSCCXNFDF-UHFFFAOYSA-N -1 3 330.417 2.015 20 30 EEEDHM C[C@H]1CC(N=Nc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)CO1 ZINC001609155371 1351865658 /nfs/dbraw/zinc/86/56/58/1351865658.db2.gz NVVSILJRMYZBKF-ZETCQYMHSA-N -1 3 326.282 2.462 20 30 EEEDHM C[C@H]1CC(N=Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CO1 ZINC001609155371 1351865667 /nfs/dbraw/zinc/86/56/67/1351865667.db2.gz NVVSILJRMYZBKF-ZETCQYMHSA-N -1 3 326.282 2.462 20 30 EEEDHM CCCN(CCC)C(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609212694 1351895048 /nfs/dbraw/zinc/89/50/48/1351895048.db2.gz GLKHCTHSVVJCBI-HNNXBMFYSA-N -1 3 326.404 2.198 20 30 EEEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(F)c(C#N)c1 ZINC001609278485 1351919210 /nfs/dbraw/zinc/91/92/10/1351919210.db2.gz KHEBNSWFBULKSH-UHFFFAOYSA-N -1 3 336.330 2.150 20 30 EEEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(F)c(C#N)c1 ZINC001609278485 1351919211 /nfs/dbraw/zinc/91/92/11/1351919211.db2.gz KHEBNSWFBULKSH-UHFFFAOYSA-N -1 3 336.330 2.150 20 30 EEEDHM COC(=O)c1coc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC001609306299 1351926224 /nfs/dbraw/zinc/92/62/24/1351926224.db2.gz DGCQKNBTTIMZBF-RQOWECAXSA-N -1 3 330.325 2.204 20 30 EEEDHM COCC[C@@H](Cc1ccco1)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609321615 1351933004 /nfs/dbraw/zinc/93/30/04/1351933004.db2.gz JEQOLLCHKSTYAG-ZDUSSCGKSA-N -1 3 338.371 2.391 20 30 EEEDHM COCC[C@@H](Cc1ccco1)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609321615 1351933006 /nfs/dbraw/zinc/93/30/06/1351933006.db2.gz JEQOLLCHKSTYAG-ZDUSSCGKSA-N -1 3 338.371 2.391 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1CN1CCCC(C)(C)[C@H]1C#N ZINC001609334011 1351936016 /nfs/dbraw/zinc/93/60/16/1351936016.db2.gz QTPPLZJGGIYPOH-OAHLLOKOSA-N -1 3 326.404 2.389 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1CN1CCCC(C)(C)[C@H]1C#N ZINC001609334011 1351936020 /nfs/dbraw/zinc/93/60/20/1351936020.db2.gz QTPPLZJGGIYPOH-OAHLLOKOSA-N -1 3 326.404 2.389 20 30 EEEDHM COc1cc(OCc2ccc(OCC#N)cc2)ccc1-c1nnn[n-]1 ZINC001609348177 1351941722 /nfs/dbraw/zinc/94/17/22/1351941722.db2.gz IGBOOBVGAGCGPX-UHFFFAOYSA-N -1 3 337.339 2.357 20 30 EEEDHM COc1cc(OCc2ccc(OCC#N)cc2)ccc1-c1nn[n-]n1 ZINC001609348177 1351941723 /nfs/dbraw/zinc/94/17/23/1351941723.db2.gz IGBOOBVGAGCGPX-UHFFFAOYSA-N -1 3 337.339 2.357 20 30 EEEDHM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)nn1C(C)C ZINC001609395534 1351958557 /nfs/dbraw/zinc/95/85/57/1351958557.db2.gz PSTBEZHMSKZYGD-UHFFFAOYSA-N -1 3 336.359 2.077 20 30 EEEDHM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)nn1C(C)C ZINC001609395534 1351958558 /nfs/dbraw/zinc/95/85/58/1351958558.db2.gz PSTBEZHMSKZYGD-UHFFFAOYSA-N -1 3 336.359 2.077 20 30 EEEDHM Cc1nsc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1C#N ZINC001609464930 1351988010 /nfs/dbraw/zinc/98/80/10/1351988010.db2.gz IVLWTWVBGRLKQB-VOTSOKGWSA-N -1 3 337.368 2.155 20 30 EEEDHM Cc1nsc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1C#N ZINC001609464930 1351988013 /nfs/dbraw/zinc/98/80/13/1351988013.db2.gz IVLWTWVBGRLKQB-VOTSOKGWSA-N -1 3 337.368 2.155 20 30 EEEDHM C=CC[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)[O-] ZINC001333332114 1336010968 /nfs/dbraw/zinc/01/09/68/1336010968.db2.gz PTVBPYLWDSRCEV-HOCLYGCPSA-N -1 3 334.391 2.183 20 30 EEEDHM C=CC[C@@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)C(=O)[O-] ZINC001334183415 1336218375 /nfs/dbraw/zinc/21/83/75/1336218375.db2.gz XIAQAEOZMWOJER-HZPDHXFCSA-N -1 3 331.416 2.152 20 30 EEEDHM CCc1ccc([C@@H](C#N)N(C)C(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001578524539 1344287421 /nfs/dbraw/zinc/28/74/21/1344287421.db2.gz VMORIKGITQOONF-MRXNPFEDSA-N -1 3 347.382 2.161 20 30 EEEDHM CCc1ccc([C@@H](C#N)N(C)C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001578524539 1344287424 /nfs/dbraw/zinc/28/74/24/1344287424.db2.gz VMORIKGITQOONF-MRXNPFEDSA-N -1 3 347.382 2.161 20 30 EEEDHM N#CCc1cccc(C(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)c1 ZINC001581859704 1344680851 /nfs/dbraw/zinc/68/08/51/1344680851.db2.gz RABWIUPFYSYETQ-UHFFFAOYSA-N -1 3 330.351 2.089 20 30 EEEDHM N#CCc1cccc(C(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)c1 ZINC001581859704 1344680857 /nfs/dbraw/zinc/68/08/57/1344680857.db2.gz RABWIUPFYSYETQ-UHFFFAOYSA-N -1 3 330.351 2.089 20 30 EEEDHM N#Cc1ccc(F)cc1N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001581871444 1344682872 /nfs/dbraw/zinc/68/28/72/1344682872.db2.gz UXZYOIQOULVDTB-UHFFFAOYSA-N -1 3 349.373 2.204 20 30 EEEDHM N#Cc1ccc(F)cc1N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001581871444 1344682879 /nfs/dbraw/zinc/68/28/79/1344682879.db2.gz UXZYOIQOULVDTB-UHFFFAOYSA-N -1 3 349.373 2.204 20 30 EEEDHM C#C[C@@H]1CCCCN1C(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588332817 1348890670 /nfs/dbraw/zinc/89/06/70/1348890670.db2.gz SSGGSPFWPOLLQF-GFCCVEGCSA-N -1 3 344.806 2.217 20 30 EEEDHM C#C[C@@H]1CCCCN1C(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588332817 1348890672 /nfs/dbraw/zinc/89/06/72/1348890672.db2.gz SSGGSPFWPOLLQF-GFCCVEGCSA-N -1 3 344.806 2.217 20 30 EEEDHM C#Cc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC001588374708 1348897554 /nfs/dbraw/zinc/89/75/54/1348897554.db2.gz KEYKGQVJMAWOME-UHFFFAOYSA-N -1 3 325.278 2.379 20 30 EEEDHM C#Cc1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC001588374708 1348897558 /nfs/dbraw/zinc/89/75/58/1348897558.db2.gz KEYKGQVJMAWOME-UHFFFAOYSA-N -1 3 325.278 2.379 20 30 EEEDHM C=CC(C)(C)C(=O)N(CC)CCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588468898 1348907423 /nfs/dbraw/zinc/90/74/23/1348907423.db2.gz QSZNPOXAOPHEIL-UHFFFAOYSA-N -1 3 343.435 2.043 20 30 EEEDHM C=CC(C)(C)C(=O)N(CC)CCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588468898 1348907425 /nfs/dbraw/zinc/90/74/25/1348907425.db2.gz QSZNPOXAOPHEIL-UHFFFAOYSA-N -1 3 343.435 2.043 20 30 EEEDHM C=C[C@](C)(CCOC)C(=O)OCc1cc(-c2nnn[n-]2)ccc1OC ZINC001588500442 1348909933 /nfs/dbraw/zinc/90/99/33/1348909933.db2.gz XGUJJMJDVSNOQC-QGZVFWFLSA-N -1 3 346.387 2.147 20 30 EEEDHM C=C[C@](C)(CCOC)C(=O)OCc1cc(-c2nn[n-]n2)ccc1OC ZINC001588500442 1348909936 /nfs/dbraw/zinc/90/99/36/1348909936.db2.gz XGUJJMJDVSNOQC-QGZVFWFLSA-N -1 3 346.387 2.147 20 30 EEEDHM C=C[C@@](C)(CCOC)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588495383 1348910507 /nfs/dbraw/zinc/91/05/07/1348910507.db2.gz CYXJVGXOXMZARU-KRWDZBQOSA-N -1 3 329.404 2.054 20 30 EEEDHM C=C[C@@](C)(CCOC)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588495383 1348910513 /nfs/dbraw/zinc/91/05/13/1348910513.db2.gz CYXJVGXOXMZARU-KRWDZBQOSA-N -1 3 329.404 2.054 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N(C)CCCNc1ccc(-c2nnn[n-]2)cn1 ZINC001588518542 1348911666 /nfs/dbraw/zinc/91/16/66/1348911666.db2.gz FYPGBCASXPDCEZ-ZDUSSCGKSA-N -1 3 343.435 2.124 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N(C)CCCNc1ccc(-c2nn[n-]n2)cn1 ZINC001588518542 1348911670 /nfs/dbraw/zinc/91/16/70/1348911670.db2.gz FYPGBCASXPDCEZ-ZDUSSCGKSA-N -1 3 343.435 2.124 20 30 EEEDHM C=CCC1(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC001588548835 1348915739 /nfs/dbraw/zinc/91/57/39/1348915739.db2.gz HXPSNEWSNSPCJM-UHFFFAOYSA-N -1 3 341.415 2.198 20 30 EEEDHM C=CCC1(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001588548835 1348915742 /nfs/dbraw/zinc/91/57/42/1348915742.db2.gz HXPSNEWSNSPCJM-UHFFFAOYSA-N -1 3 341.415 2.198 20 30 EEEDHM C=CCCC(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C[C@H]1C ZINC001588566435 1348917645 /nfs/dbraw/zinc/91/76/45/1348917645.db2.gz HMYCOOHHBXXWLM-OLZOCXBDSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCC(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C[C@H]1C ZINC001588566435 1348917646 /nfs/dbraw/zinc/91/76/46/1348917646.db2.gz HMYCOOHHBXXWLM-OLZOCXBDSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CC[C@H]1CCN(C(=O)NCCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588564563 1348917665 /nfs/dbraw/zinc/91/76/65/1348917665.db2.gz OHSALJVBDUKCHB-AWEZNQCLSA-N -1 3 326.404 2.017 20 30 EEEDHM C=CC[C@H]1CCN(C(=O)NCCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588564563 1348917666 /nfs/dbraw/zinc/91/76/66/1348917666.db2.gz OHSALJVBDUKCHB-AWEZNQCLSA-N -1 3 326.404 2.017 20 30 EEEDHM C=CCOCCCNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC001588682986 1348929322 /nfs/dbraw/zinc/92/93/22/1348929322.db2.gz VRECKTZRRHVVTE-UHFFFAOYSA-N -1 3 346.341 2.120 20 30 EEEDHM C=CCOCCCNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC001588682986 1348929325 /nfs/dbraw/zinc/92/93/25/1348929325.db2.gz VRECKTZRRHVVTE-UHFFFAOYSA-N -1 3 346.341 2.120 20 30 EEEDHM CC(=Cc1ccncc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001588772484 1348934377 /nfs/dbraw/zinc/93/43/77/1348934377.db2.gz PPKALFCJSXVCPY-DHZHZOJOSA-N -1 3 331.339 2.175 20 30 EEEDHM CC(=Cc1ccncc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001588772484 1348934379 /nfs/dbraw/zinc/93/43/79/1348934379.db2.gz PPKALFCJSXVCPY-DHZHZOJOSA-N -1 3 331.339 2.175 20 30 EEEDHM C[C@@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590005673 1349103447 /nfs/dbraw/zinc/10/34/47/1349103447.db2.gz NGOUSTSUOXTMQD-BZNIZROVSA-N -1 3 349.350 2.076 20 30 EEEDHM C[C@@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590005673 1349103451 /nfs/dbraw/zinc/10/34/51/1349103451.db2.gz NGOUSTSUOXTMQD-BZNIZROVSA-N -1 3 349.350 2.076 20 30 EEEDHM Cc1cc(C)c(-c2nnn[n-]2)c(NC(=O)c2ccc(C)c(C#N)c2)n1 ZINC001591938368 1349561947 /nfs/dbraw/zinc/56/19/47/1349561947.db2.gz MEQODNHKWVKKKX-UHFFFAOYSA-N -1 3 333.355 2.311 20 30 EEEDHM Cc1cc(C)c(-c2nn[n-]n2)c(NC(=O)c2ccc(C)c(C#N)c2)n1 ZINC001591938368 1349561953 /nfs/dbraw/zinc/56/19/53/1349561953.db2.gz MEQODNHKWVKKKX-UHFFFAOYSA-N -1 3 333.355 2.311 20 30 EEEDHM Cn1ncc(Cl)c1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001592601295 1349667858 /nfs/dbraw/zinc/66/78/58/1349667858.db2.gz YASLMUZEZQHRPK-UXBLZVDNSA-N -1 3 326.747 2.076 20 30 EEEDHM Cn1ncc(Cl)c1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001592601295 1349667864 /nfs/dbraw/zinc/66/78/64/1349667864.db2.gz YASLMUZEZQHRPK-UXBLZVDNSA-N -1 3 326.747 2.076 20 30 EEEDHM N#C[C@]1(F)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)C1 ZINC001592670540 1349704220 /nfs/dbraw/zinc/70/42/20/1349704220.db2.gz FGSDMNMZYFFDMQ-MRXNPFEDSA-N -1 3 341.350 2.214 20 30 EEEDHM N#C[C@]1(F)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)C1 ZINC001592670540 1349704228 /nfs/dbraw/zinc/70/42/28/1349704228.db2.gz FGSDMNMZYFFDMQ-MRXNPFEDSA-N -1 3 341.350 2.214 20 30 EEEDHM N#C[C@@]1(F)CCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC001592670900 1349704513 /nfs/dbraw/zinc/70/45/13/1349704513.db2.gz UPPSJDHQFBCZOD-LBPRGKRZSA-N -1 3 326.257 2.327 20 30 EEEDHM N#C[C@@]1(F)CCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC001592670900 1349704517 /nfs/dbraw/zinc/70/45/17/1349704517.db2.gz UPPSJDHQFBCZOD-LBPRGKRZSA-N -1 3 326.257 2.327 20 30 EEEDHM C#C[C@@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)C1 ZINC001602696437 1350574698 /nfs/dbraw/zinc/57/46/98/1350574698.db2.gz IRPYQTBNKOZTNB-SECBINFHSA-N -1 3 332.314 2.022 20 30 EEEDHM C#C[C@@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)C1 ZINC001602696437 1350574702 /nfs/dbraw/zinc/57/47/02/1350574702.db2.gz IRPYQTBNKOZTNB-SECBINFHSA-N -1 3 332.314 2.022 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC001602752433 1350581183 /nfs/dbraw/zinc/58/11/83/1350581183.db2.gz CFRYJOMFYPLTDN-SJCJKPOMSA-N -1 3 336.399 2.230 20 30 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EEEDHM CC(C)C[C@H](CNc1cccc(F)c1C#N)NC(=O)c1cn[n-]n1 ZINC001105006068 768844677 /nfs/dbraw/zinc/84/46/77/768844677.db2.gz QLOLSMRPGVPPJI-LLVKDONJSA-N -1 3 330.367 2.072 20 30 EEEDHM CC(C)[C@@H](CNC(=O)c1cnc[n-]c1=O)Nc1cccc(F)c1C#N ZINC001105238519 769422906 /nfs/dbraw/zinc/42/29/06/769422906.db2.gz CQCYRWXRORBREM-OAHLLOKOSA-N -1 3 343.362 2.059 20 30 EEEDHM CCCCCCCOC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000918908528 769467974 /nfs/dbraw/zinc/46/79/74/769467974.db2.gz RPAMSXVQKPQDNP-UHFFFAOYSA-N -1 3 332.422 2.083 20 30 EEEDHM CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000919329353 769785123 /nfs/dbraw/zinc/78/51/23/769785123.db2.gz XCDOWAANRBLFJT-LLVKDONJSA-N -1 3 344.371 2.143 20 30 EEEDHM CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000919329353 769785134 /nfs/dbraw/zinc/78/51/34/769785134.db2.gz XCDOWAANRBLFJT-LLVKDONJSA-N -1 3 344.371 2.143 20 30 EEEDHM C=CCC1(C(=O)NCC2(NC(=O)c3cn[n-]n3)CCC2)CCCCC1 ZINC001063248696 790486292 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EEEDHM COC(=O)c1cc(NC(=O)c2cccc(C#N)c2[O-])cc2[nH]ncc21 ZINC001193652508 1282637538 /nfs/dbraw/zinc/63/75/38/1282637538.db2.gz JHGQOBMYAYLQNH-UHFFFAOYSA-N -1 3 336.307 2.179 20 30 EEEDHM COc1ccc(C#N)c(S(=O)(=O)[N-][C@H]2CCCCC2(F)F)c1 ZINC001193698017 1282694610 /nfs/dbraw/zinc/69/46/10/1282694610.db2.gz MZJNDHSZZWCKKJ-ZDUSSCGKSA-N -1 3 330.356 2.423 20 30 EEEDHM CC1(C)CN(C(=O)c2ccccc2[O-])C[C@H]1Nc1nccnc1C#N ZINC001069528684 1285844990 /nfs/dbraw/zinc/84/49/90/1285844990.db2.gz CMOQJJRIMKUFAE-OAHLLOKOSA-N -1 3 337.383 2.017 20 30 EEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC)C2CC2)ccc1F ZINC000855859444 1293346114 /nfs/dbraw/zinc/34/61/14/1293346114.db2.gz BZEQABCYBLDASS-AWEZNQCLSA-N -1 3 340.420 2.208 20 30 EEEDHM [O-]/N=C(\OC1CCN(c2ccc(Cl)nn2)CC1)c1ccccn1 ZINC001223976876 1300361410 /nfs/dbraw/zinc/36/14/10/1300361410.db2.gz AWLVYYPBCXCJGP-HKWRFOASSA-N -1 3 333.779 2.346 20 30 EEEDHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Oc1nccc(/C=N/[O-])n1 ZINC001226255450 1301324780 /nfs/dbraw/zinc/32/47/80/1301324780.db2.gz JICQHFUMEXHJRM-RYMHEZBSSA-N -1 3 336.392 2.309 20 30 EEEDHM CCc1nc(OC2CCN(c3ncccc3C#N)CC2)cc(=O)[n-]1 ZINC001226473878 1301428495 /nfs/dbraw/zinc/42/84/95/1301428495.db2.gz CJWKDUKMGNXWAJ-UHFFFAOYSA-N -1 3 325.372 2.059 20 30 EEEDHM CC(C)(C)OC(=O)N1CCN(Cc2cccc([O-])c2F)[C@@H](C#N)C1 ZINC001233050611 1304344212 /nfs/dbraw/zinc/34/42/12/1304344212.db2.gz RPVYCPPWIQADND-ZDUSSCGKSA-N -1 3 335.379 2.476 20 30 EEEDHM Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@@H](C)Nc1cccc(F)c1C#N ZINC001120524099 1309592586 /nfs/dbraw/zinc/59/25/86/1309592586.db2.gz HYVPQJUIGJXRFQ-SNVBAGLBSA-N -1 3 343.362 2.074 20 30 EEEDHM COc1ccc2ncc([O-])c(C(=O)NCc3ccc(C#N)nc3)c2c1 ZINC001154517821 1317177140 /nfs/dbraw/zinc/17/71/40/1317177140.db2.gz PMXUMHKICUTJKR-UHFFFAOYSA-N -1 3 334.335 2.146 20 30 EEEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1n[nH]c2cc(O)ccc21 ZINC001155261636 1317527513 /nfs/dbraw/zinc/52/75/13/1317527513.db2.gz UHSZKPTWDIUGJQ-UHFFFAOYSA-N -1 3 342.336 2.241 20 30 EEEDHM Cc1ccc([C@@H](C#N)c2ccc(NCCCc3c[n-][nH]c3=O)nn2)cc1 ZINC001156277949 1317947996 /nfs/dbraw/zinc/94/79/96/1317947996.db2.gz KIEDXODUWWPGMM-JKSUJKDBSA-N -1 3 348.410 2.364 20 30 EEEDHM C=CCOC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC001259255764 1319499482 /nfs/dbraw/zinc/49/94/82/1319499482.db2.gz XKXKWEQWDAHOJA-HNNXBMFYSA-N -1 3 343.420 2.389 20 30 EEEDHM C=CCn1c(CCc2nnn[n-]2)nnc1N(C)c1cc(C)cc(C)c1 ZINC001262944475 1322400937 /nfs/dbraw/zinc/40/09/37/1322400937.db2.gz QKVDULQJFFULTK-UHFFFAOYSA-N -1 3 338.419 2.147 20 30 EEEDHM C=CCn1c(CCc2nn[n-]n2)nnc1N(C)c1cc(C)cc(C)c1 ZINC001262944475 1322400941 /nfs/dbraw/zinc/40/09/41/1322400941.db2.gz QKVDULQJFFULTK-UHFFFAOYSA-N -1 3 338.419 2.147 20 30 EEEDHM C#CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC001602714136 1350576839 /nfs/dbraw/zinc/57/68/39/1350576839.db2.gz KWGRIIWXBILLPX-UHFFFAOYSA-N -1 3 329.429 2.219 20 30 EEEDHM C#CCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001602714136 1350576843 /nfs/dbraw/zinc/57/68/43/1350576843.db2.gz KWGRIIWXBILLPX-UHFFFAOYSA-N -1 3 329.429 2.219 20 30 EEEDHM C[C@H]1CN(c2nccnc2C#N)CCN1Cc1ccc(Cl)cc1[O-] ZINC001308602551 1331599572 /nfs/dbraw/zinc/59/95/72/1331599572.db2.gz DMTYGGZMYSPCKA-LBPRGKRZSA-N -1 3 343.818 2.418 20 30 EEEDHM C=CCOC[C@@H](NCc1cc(Cl)c([O-])c(OCC)c1)C(=O)OC ZINC001308721623 1331602448 /nfs/dbraw/zinc/60/24/48/1331602448.db2.gz DNJLWYNVRDXGGL-CYBMUJFWSA-N -1 3 343.807 2.278 20 30 EEEDHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(C)nn2cccnc12 ZINC001309676736 1331638167 /nfs/dbraw/zinc/63/81/67/1331638167.db2.gz DIWJAMZCHIHPPM-ZIAGYGMSSA-N -1 3 334.445 2.451 20 30 EEEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccccn1 ZINC001317748183 1332395974 /nfs/dbraw/zinc/39/59/74/1332395974.db2.gz DWOXINVPALCMNJ-UHFFFAOYSA-N -1 3 326.381 2.436 20 30 EEEDHM C=CC[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OCC ZINC001320130797 1332834259 /nfs/dbraw/zinc/83/42/59/1332834259.db2.gz BRNYXALDHDKRCA-LBPRGKRZSA-N -1 3 342.298 2.311 20 30 EEEDHM C=CC[C@@H]([N-]S(=O)(=O)Cc1ccc(C)c(F)c1)C(=O)OCC ZINC001320581890 1332914864 /nfs/dbraw/zinc/91/48/64/1332914864.db2.gz PSJOVCSZFKMDMB-CQSZACIVSA-N -1 3 329.393 2.061 20 30 EEEDHM C#CCCCNC(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001609020594 1351816966 /nfs/dbraw/zinc/81/69/66/1351816966.db2.gz VWVPAZMOPGAFMS-UHFFFAOYSA-N -1 3 349.192 2.164 20 30 EEEDHM C#CCCCNC(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001609020594 1351816971 /nfs/dbraw/zinc/81/69/71/1351816971.db2.gz VWVPAZMOPGAFMS-UHFFFAOYSA-N -1 3 349.192 2.164 20 30 EEEDHM C#CCOc1ccc(COC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001609021682 1351817327 /nfs/dbraw/zinc/81/73/27/1351817327.db2.gz UHDNQHIVONYUFF-UHFFFAOYSA-N -1 3 348.362 2.165 20 30 EEEDHM C#CCOc1ccc(COC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001609021682 1351817331 /nfs/dbraw/zinc/81/73/31/1351817331.db2.gz UHDNQHIVONYUFF-UHFFFAOYSA-N -1 3 348.362 2.165 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)/C=C/[C@@H]1CCCO1 ZINC001609056552 1351826214 /nfs/dbraw/zinc/82/62/14/1351826214.db2.gz PSJHKUZNCBVYLR-FDMDGMSGSA-N -1 3 339.399 2.117 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)/C=C/[C@@H]1CCCO1 ZINC001609056552 1351826218 /nfs/dbraw/zinc/82/62/18/1351826218.db2.gz PSJHKUZNCBVYLR-FDMDGMSGSA-N -1 3 339.399 2.117 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)C(=O)N[C@H](C)CC ZINC001609057108 1351826395 /nfs/dbraw/zinc/82/63/95/1351826395.db2.gz ZGUDGNNIHJEBKZ-KGLIPLIRSA-N -1 3 342.447 2.158 20 30 EEEDHM CC(C)(C#N)CCCOC(=O)COc1ccccc1-c1nnn[n-]1 ZINC001609072276 1351831106 /nfs/dbraw/zinc/83/11/06/1351831106.db2.gz JTAKEBFBEGMMDI-UHFFFAOYSA-N -1 3 329.360 2.119 20 30 EEEDHM CC(C)(C#N)CCCOC(=O)COc1ccccc1-c1nn[n-]n1 ZINC001609072276 1351831112 /nfs/dbraw/zinc/83/11/12/1351831112.db2.gz JTAKEBFBEGMMDI-UHFFFAOYSA-N -1 3 329.360 2.119 20 30 EEEDHM C[C@]1(C#N)CCCN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC001609142442 1351859789 /nfs/dbraw/zinc/85/97/89/1351859789.db2.gz ZFSDUQISCQNDLE-OAHLLOKOSA-N -1 3 330.779 2.286 20 30 EEEDHM C[C@]1(C#N)CCCN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC001609142442 1351859791 /nfs/dbraw/zinc/85/97/91/1351859791.db2.gz ZFSDUQISCQNDLE-OAHLLOKOSA-N -1 3 330.779 2.286 20 30 EEEDHM N#C[C@@H](CCc1ccccc1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001609492938 1351997781 /nfs/dbraw/zinc/99/77/81/1351997781.db2.gz DQAKDSULDVNAMX-QGZVFWFLSA-N -1 3 346.394 2.255 20 30 EEEDHM N#Cc1ccc(OCCCOC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001609499331 1351999855 /nfs/dbraw/zinc/99/98/55/1351999855.db2.gz JNEJHNNJCQKRAS-UHFFFAOYSA-N -1 3 349.350 2.364 20 30 EEEDHM N#Cc1ccc(OCCCOC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001609499331 1351999857 /nfs/dbraw/zinc/99/98/57/1351999857.db2.gz JNEJHNNJCQKRAS-UHFFFAOYSA-N -1 3 349.350 2.364 20 30 EEEDHM C=CC[C@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)C(=O)OCC ZINC001337827255 1336741522 /nfs/dbraw/zinc/74/15/22/1336741522.db2.gz XTWSKHSRYPXCET-ZDUSSCGKSA-N -1 3 349.811 2.406 20 30 EEEDHM C=CCn1c(CCc2nnn[n-]2)nnc1N1C[C@@H](C)c2ccccc21 ZINC001338722053 1336899623 /nfs/dbraw/zinc/89/96/23/1336899623.db2.gz GQYRFZTUHSBTAF-GFCCVEGCSA-N -1 3 336.403 2.018 20 30 EEEDHM C=CCn1c(CCc2nn[n-]n2)nnc1N1C[C@@H](C)c2ccccc21 ZINC001338722053 1336899626 /nfs/dbraw/zinc/89/96/26/1336899626.db2.gz GQYRFZTUHSBTAF-GFCCVEGCSA-N -1 3 336.403 2.018 20 30 EEEDHM C=CCC[C@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC001347521750 1337512421 /nfs/dbraw/zinc/51/24/21/1337512421.db2.gz KNZSJGVKIJOVOD-ZDUSSCGKSA-N -1 3 340.420 2.305 20 30 EEEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC000848130549 1338527818 /nfs/dbraw/zinc/52/78/18/1338527818.db2.gz LSYNFWFXEXSFLY-UFJRKFNTSA-N -1 3 334.338 2.098 20 30 EEEDHM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](C(=O)[O-])[C@@H]2C)cc1 ZINC001610505771 1352234989 /nfs/dbraw/zinc/23/49/89/1352234989.db2.gz ZGKTTZDSDPOWNR-ZOBUZTSGSA-N -1 3 343.427 2.425 20 30 EEEDHM Cn1cc(CNC(=O)c2ccc(N)cc2[O-])c(-c2ccc(C#N)cc2)n1 ZINC001579965053 1344439691 /nfs/dbraw/zinc/43/96/91/1344439691.db2.gz XFMDUYAQQPAYRE-UHFFFAOYSA-N -1 3 347.378 2.177 20 30 EEEDHM N#Cc1cc(C(=O)NOc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC001581864795 1344681314 /nfs/dbraw/zinc/68/13/14/1344681314.db2.gz OLPGIIHFRNAQMF-UHFFFAOYSA-N -1 3 340.730 2.116 20 30 EEEDHM N#Cc1cc(C(=O)NOc2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC001581864795 1344681318 /nfs/dbraw/zinc/68/13/18/1344681318.db2.gz OLPGIIHFRNAQMF-UHFFFAOYSA-N -1 3 340.730 2.116 20 30 EEEDHM N#Cc1cccc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC001581875679 1344683927 /nfs/dbraw/zinc/68/39/27/1344683927.db2.gz KRQXNEZNGGUTPT-UHFFFAOYSA-N -1 3 325.719 2.039 20 30 EEEDHM N#Cc1cccc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC001581875679 1344683931 /nfs/dbraw/zinc/68/39/31/1344683931.db2.gz KRQXNEZNGGUTPT-UHFFFAOYSA-N -1 3 325.719 2.039 20 30 EEEDHM N#Cc1cccc(C(=O)N(c2ccc(-c3nnn[n-]3)cc2)C2CCC2)n1 ZINC001581875035 1344684104 /nfs/dbraw/zinc/68/41/04/1344684104.db2.gz SOWGLJDDPKIJGD-UHFFFAOYSA-N -1 3 345.366 2.333 20 30 EEEDHM N#Cc1cccc(C(=O)N(c2ccc(-c3nn[n-]n3)cc2)C2CCC2)n1 ZINC001581875035 1344684106 /nfs/dbraw/zinc/68/41/06/1344684106.db2.gz SOWGLJDDPKIJGD-UHFFFAOYSA-N -1 3 345.366 2.333 20 30 EEEDHM C#C[C@H](CCC)NC(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001588327227 1348887455 /nfs/dbraw/zinc/88/74/55/1348887455.db2.gz FBPNBXBCUGTBPX-CQSZACIVSA-N -1 3 326.404 2.203 20 30 EEEDHM C#C[C@H](CCC)NC(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001588327227 1348887460 /nfs/dbraw/zinc/88/74/60/1348887460.db2.gz FBPNBXBCUGTBPX-CQSZACIVSA-N -1 3 326.404 2.203 20 30 EEEDHM C#CCC(CC#C)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588332368 1348889004 /nfs/dbraw/zinc/88/90/04/1348889004.db2.gz ZJEIYLREZQMDHS-UHFFFAOYSA-N -1 3 345.406 2.145 20 30 EEEDHM C#CCC(CC#C)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588332368 1348889010 /nfs/dbraw/zinc/88/90/10/1348889010.db2.gz ZJEIYLREZQMDHS-UHFFFAOYSA-N -1 3 345.406 2.145 20 30 EEEDHM C#CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1)c1ccccc1 ZINC001588334383 1348891067 /nfs/dbraw/zinc/89/10/67/1348891067.db2.gz VMMMXNYVAWXMRC-INIZCTEOSA-N -1 3 347.378 2.370 20 30 EEEDHM C#CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1)c1ccccc1 ZINC001588334383 1348891073 /nfs/dbraw/zinc/89/10/73/1348891073.db2.gz VMMMXNYVAWXMRC-INIZCTEOSA-N -1 3 347.378 2.370 20 30 EEEDHM C#CC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001588335642 1348892430 /nfs/dbraw/zinc/89/24/30/1348892430.db2.gz TWDDZQWGUNCVGG-LLVKDONJSA-N -1 3 328.351 2.273 20 30 EEEDHM C#CC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001588335642 1348892432 /nfs/dbraw/zinc/89/24/32/1348892432.db2.gz TWDDZQWGUNCVGG-LLVKDONJSA-N -1 3 328.351 2.273 20 30 EEEDHM C#CCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC001588353802 1348895734 /nfs/dbraw/zinc/89/57/34/1348895734.db2.gz HDVBVKPKDLJIBT-UHFFFAOYSA-N -1 3 334.339 2.414 20 30 EEEDHM C#CCNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC001588353802 1348895737 /nfs/dbraw/zinc/89/57/37/1348895737.db2.gz HDVBVKPKDLJIBT-UHFFFAOYSA-N -1 3 334.339 2.414 20 30 EEEDHM C#CCSCCNc1c(Br)cccc1-c1nnn[n-]1 ZINC001588363816 1348896973 /nfs/dbraw/zinc/89/69/73/1348896973.db2.gz CMLKODMXGGTWOW-UHFFFAOYSA-N -1 3 338.234 2.408 20 30 EEEDHM C#CCSCCNc1c(Br)cccc1-c1nn[n-]n1 ZINC001588363816 1348896975 /nfs/dbraw/zinc/89/69/75/1348896975.db2.gz CMLKODMXGGTWOW-UHFFFAOYSA-N -1 3 338.234 2.408 20 30 EEEDHM C#Cc1cccc(NC(=O)c2cc(-c3nnn[n-]3)cc(N(C)C)c2)c1 ZINC001588375332 1348897489 /nfs/dbraw/zinc/89/74/89/1348897489.db2.gz PJRJDMGPTHLMNB-UHFFFAOYSA-N -1 3 332.367 2.166 20 30 EEEDHM C#Cc1cccc(NC(=O)c2cc(-c3nn[n-]n3)cc(N(C)C)c2)c1 ZINC001588375332 1348897493 /nfs/dbraw/zinc/89/74/93/1348897493.db2.gz PJRJDMGPTHLMNB-UHFFFAOYSA-N -1 3 332.367 2.166 20 30 EEEDHM C#Cc1ccccc1CC(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588377295 1348898039 /nfs/dbraw/zinc/89/80/39/1348898039.db2.gz UCQXZWREKZGLDR-UHFFFAOYSA-N -1 3 331.379 2.015 20 30 EEEDHM C#Cc1ccccc1CC(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588377295 1348898043 /nfs/dbraw/zinc/89/80/43/1348898043.db2.gz UCQXZWREKZGLDR-UHFFFAOYSA-N -1 3 331.379 2.015 20 30 EEEDHM C#Cc1cccc(CNC(=O)C2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC001588374638 1348898241 /nfs/dbraw/zinc/89/82/41/1348898241.db2.gz FUBGGZXUBVJHBM-UHFFFAOYSA-N -1 3 343.390 2.196 20 30 EEEDHM C#Cc1cccc(CNC(=O)C2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC001588374638 1348898245 /nfs/dbraw/zinc/89/82/45/1348898245.db2.gz FUBGGZXUBVJHBM-UHFFFAOYSA-N -1 3 343.390 2.196 20 30 EEEDHM C=CC(C)(C)CC(=O)NCCN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588483373 1348908078 /nfs/dbraw/zinc/90/80/78/1348908078.db2.gz HYOPYSOVWSFAEB-UHFFFAOYSA-N -1 3 346.410 2.161 20 30 EEEDHM C=CC(C)(C)CC(=O)NCCN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588483373 1348908081 /nfs/dbraw/zinc/90/80/81/1348908081.db2.gz HYOPYSOVWSFAEB-UHFFFAOYSA-N -1 3 346.410 2.161 20 30 EEEDHM C=CC(C)(C)CC(=O)N1CC(Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588480868 1348908365 /nfs/dbraw/zinc/90/83/65/1348908365.db2.gz DVCDGWMJUOOPBC-UHFFFAOYSA-N -1 3 326.404 2.092 20 30 EEEDHM C=CC(C)(C)CC(=O)N1CC(Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588480868 1348908368 /nfs/dbraw/zinc/90/83/68/1348908368.db2.gz DVCDGWMJUOOPBC-UHFFFAOYSA-N -1 3 326.404 2.092 20 30 EEEDHM C=C[C@](C)(CC)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588487670 1348908834 /nfs/dbraw/zinc/90/88/34/1348908834.db2.gz ABCAGFRKZSFHOQ-YVEFUNNKSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@](C)(CC)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588487670 1348908838 /nfs/dbraw/zinc/90/88/38/1348908838.db2.gz ABCAGFRKZSFHOQ-YVEFUNNKSA-N -1 3 343.435 2.123 20 30 EEEDHM C=CC1CCN(C(=O)C(F)(F)c2ccccc2-c2nnn[n-]2)CC1 ZINC001588527073 1348913247 /nfs/dbraw/zinc/91/32/47/1348913247.db2.gz AGBNORMZSBOCRJ-UHFFFAOYSA-N -1 3 333.342 2.383 20 30 EEEDHM C=CC1CCN(C(=O)C(F)(F)c2ccccc2-c2nn[n-]n2)CC1 ZINC001588527073 1348913249 /nfs/dbraw/zinc/91/32/49/1348913249.db2.gz AGBNORMZSBOCRJ-UHFFFAOYSA-N -1 3 333.342 2.383 20 30 EEEDHM C=CC[C@@H](C)NC(=O)NCc1ccc(SC)c(-c2nnn[n-]2)c1 ZINC001588539526 1348915093 /nfs/dbraw/zinc/91/50/93/1348915093.db2.gz OQHPZWJZZZCSKJ-SNVBAGLBSA-N -1 3 332.433 2.352 20 30 EEEDHM C=CC[C@@H](C)NC(=O)NCc1ccc(SC)c(-c2nn[n-]n2)c1 ZINC001588539526 1348915096 /nfs/dbraw/zinc/91/50/96/1348915096.db2.gz OQHPZWJZZZCSKJ-SNVBAGLBSA-N -1 3 332.433 2.352 20 30 EEEDHM C=CCCC[C@@H](C)NS(=O)(=O)c1ccc(C)cc1-c1nnn[n-]1 ZINC001588594670 1348922111 /nfs/dbraw/zinc/92/21/11/1348922111.db2.gz QVOOOQQOSVYTIY-GFCCVEGCSA-N -1 3 335.433 2.198 20 30 EEEDHM C=CCCC[C@@H](C)NS(=O)(=O)c1ccc(C)cc1-c1nn[n-]n1 ZINC001588594670 1348922112 /nfs/dbraw/zinc/92/21/12/1348922112.db2.gz QVOOOQQOSVYTIY-GFCCVEGCSA-N -1 3 335.433 2.198 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)C1CC1 ZINC001588640068 1348926336 /nfs/dbraw/zinc/92/63/36/1348926336.db2.gz JIMYFDIGQBANJM-GFCCVEGCSA-N -1 3 326.404 2.363 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)C1CC1 ZINC001588640068 1348926339 /nfs/dbraw/zinc/92/63/39/1348926339.db2.gz JIMYFDIGQBANJM-GFCCVEGCSA-N -1 3 326.404 2.363 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1O[C@@H](C)C[C@@H]1C ZINC001588640655 1348926441 /nfs/dbraw/zinc/92/64/41/1348926441.db2.gz WQEMQVCGNOYDJK-HEHGZKQESA-N -1 3 341.415 2.195 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1O[C@@H](C)C[C@@H]1C ZINC001588640655 1348926444 /nfs/dbraw/zinc/92/64/44/1348926444.db2.gz WQEMQVCGNOYDJK-HEHGZKQESA-N -1 3 341.415 2.195 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@@H](CC(C)C)C(=O)OC ZINC001588648587 1348927292 /nfs/dbraw/zinc/92/72/92/1348927292.db2.gz MOJNIQXZHCBOIG-INIZCTEOSA-N -1 3 343.431 2.442 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H](CC(C)C)C(=O)OC ZINC001588648587 1348927294 /nfs/dbraw/zinc/92/72/94/1348927294.db2.gz MOJNIQXZHCBOIG-INIZCTEOSA-N -1 3 343.431 2.442 20 30 EEEDHM CC(C)(C#N)C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC001589033973 1348954098 /nfs/dbraw/zinc/95/40/98/1348954098.db2.gz NVPWAESYLDBPBF-UHFFFAOYSA-N -1 3 339.384 2.478 20 30 EEEDHM CC(C)(C#N)C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC001589033973 1348954100 /nfs/dbraw/zinc/95/41/00/1348954100.db2.gz NVPWAESYLDBPBF-UHFFFAOYSA-N -1 3 339.384 2.478 20 30 EEEDHM CC(C)(C)n1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)nn1 ZINC001589259535 1348975627 /nfs/dbraw/zinc/97/56/27/1348975627.db2.gz ZIZKJBMALVZWGT-ALCCZGGFSA-N -1 3 341.350 2.248 20 30 EEEDHM CC(C)(C)n1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)nn1 ZINC001589259535 1348975631 /nfs/dbraw/zinc/97/56/31/1348975631.db2.gz ZIZKJBMALVZWGT-ALCCZGGFSA-N -1 3 341.350 2.248 20 30 EEEDHM CC(C)(C)n1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)nn1 ZINC001589258580 1348975824 /nfs/dbraw/zinc/97/58/24/1348975824.db2.gz GPTZGASJSJUIAA-FNORWQNLSA-N -1 3 341.350 2.248 20 30 EEEDHM CC(C)(C)n1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)nn1 ZINC001589258580 1348975828 /nfs/dbraw/zinc/97/58/28/1348975828.db2.gz GPTZGASJSJUIAA-FNORWQNLSA-N -1 3 341.350 2.248 20 30 EEEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(CC#N)c1 ZINC001590024319 1349113930 /nfs/dbraw/zinc/11/39/30/1349113930.db2.gz IYVIICBCHCFKNT-GFCCVEGCSA-N -1 3 348.366 2.339 20 30 EEEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)Cc1nc(C#N)cs1 ZINC001590046047 1349125672 /nfs/dbraw/zinc/12/56/72/1349125672.db2.gz HRIDIWSDMNSIRZ-JTQLQIEISA-N -1 3 325.401 2.388 20 30 EEEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)Cc1nc(C#N)cs1 ZINC001590046047 1349125676 /nfs/dbraw/zinc/12/56/76/1349125676.db2.gz HRIDIWSDMNSIRZ-JTQLQIEISA-N -1 3 325.401 2.388 20 30 EEEDHM CN(Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1)[C@H]1CCC[C@@H]1C#N ZINC001591154573 1349440816 /nfs/dbraw/zinc/44/08/16/1349440816.db2.gz ZPHADWBQNKEXGH-WBVHZDCISA-N -1 3 348.414 2.312 20 30 EEEDHM CN(Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1)[C@H]1CCC[C@@H]1C#N ZINC001591154573 1349440820 /nfs/dbraw/zinc/44/08/20/1349440820.db2.gz ZPHADWBQNKEXGH-WBVHZDCISA-N -1 3 348.414 2.312 20 30 EEEDHM COC(=O)c1cccc(COc2cccc(C#N)c2)c1-c1nnn[n-]1 ZINC001591301654 1349458932 /nfs/dbraw/zinc/45/89/32/1349458932.db2.gz MRQJVQQYYFBWJB-UHFFFAOYSA-N -1 3 335.323 2.104 20 30 EEEDHM COC(=O)c1cccc(COc2cccc(C#N)c2)c1-c1nn[n-]n1 ZINC001591301654 1349458933 /nfs/dbraw/zinc/45/89/33/1349458933.db2.gz MRQJVQQYYFBWJB-UHFFFAOYSA-N -1 3 335.323 2.104 20 30 EEEDHM COc1cc(C(=O)Nc2cc(C)cc(C#N)c2)ccc1-c1nnn[n-]1 ZINC001591516674 1349494399 /nfs/dbraw/zinc/49/43/99/1349494399.db2.gz IVSUTBOTSJKOLC-UHFFFAOYSA-N -1 3 334.339 2.308 20 30 EEEDHM COc1cc(C(=O)Nc2cc(C)cc(C#N)c2)ccc1-c1nn[n-]n1 ZINC001591516674 1349494403 /nfs/dbraw/zinc/49/44/03/1349494403.db2.gz IVSUTBOTSJKOLC-UHFFFAOYSA-N -1 3 334.339 2.308 20 30 EEEDHM COc1cc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccc1C#N ZINC001591554930 1349506962 /nfs/dbraw/zinc/50/69/62/1349506962.db2.gz NKZAJBQTVUFPBH-UHFFFAOYSA-N -1 3 338.283 2.447 20 30 EEEDHM COc1cc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccc1C#N ZINC001591554930 1349506967 /nfs/dbraw/zinc/50/69/67/1349506967.db2.gz NKZAJBQTVUFPBH-UHFFFAOYSA-N -1 3 338.283 2.447 20 30 EEEDHM COc1ccc(C=C2c3ccc(-c4nnn[n-]4)cc3NC2=O)cc1C#N ZINC001591582860 1349509033 /nfs/dbraw/zinc/50/90/33/1349509033.db2.gz QPYBVMOHUXAEEP-VGOFMYFVSA-N -1 3 344.334 2.240 20 30 EEEDHM COc1ccc(C=C2c3ccc(-c4nn[n-]n4)cc3NC2=O)cc1C#N ZINC001591582860 1349509039 /nfs/dbraw/zinc/50/90/39/1349509039.db2.gz QPYBVMOHUXAEEP-VGOFMYFVSA-N -1 3 344.334 2.240 20 30 EEEDHM Cc1cc(C)c(C#N)c(NC(=O)c2sccc2-c2nnn[n-]2)n1 ZINC001591946078 1349566426 /nfs/dbraw/zinc/56/64/26/1349566426.db2.gz ZIBXQMMPTDCMSE-UHFFFAOYSA-N -1 3 325.357 2.064 20 30 EEEDHM Cc1cc(C)c(C#N)c(NC(=O)c2sccc2-c2nn[n-]n2)n1 ZINC001591946078 1349566434 /nfs/dbraw/zinc/56/64/34/1349566434.db2.gz ZIBXQMMPTDCMSE-UHFFFAOYSA-N -1 3 325.357 2.064 20 30 EEEDHM Cc1nn(C)c(Cl)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001592431011 1349631259 /nfs/dbraw/zinc/63/12/59/1349631259.db2.gz FYGJDZSTSYRYGR-BQYQJAHWSA-N -1 3 328.763 2.458 20 30 EEEDHM Cc1nn(C)c(Cl)c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001592431011 1349631265 /nfs/dbraw/zinc/63/12/65/1349631265.db2.gz FYGJDZSTSYRYGR-BQYQJAHWSA-N -1 3 328.763 2.458 20 30 EEEDHM N#Cc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)ccc1F ZINC001592687886 1349705021 /nfs/dbraw/zinc/70/50/21/1349705021.db2.gz NHJYQTUKBRGECX-UHFFFAOYSA-N -1 3 326.266 2.269 20 30 EEEDHM N#Cc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)ccc1F ZINC001592687886 1349705026 /nfs/dbraw/zinc/70/50/26/1349705026.db2.gz NHJYQTUKBRGECX-UHFFFAOYSA-N -1 3 326.266 2.269 20 30 EEEDHM N#Cc1cc(NC(=O)c2cc(Cl)ncc2F)ccc1-c1nnn[n-]1 ZINC001592689331 1349705397 /nfs/dbraw/zinc/70/53/97/1349705397.db2.gz UQQWDWWWEBAWRE-UHFFFAOYSA-N -1 3 343.709 2.178 20 30 EEEDHM N#Cc1cc(NC(=O)c2cc(Cl)ncc2F)ccc1-c1nn[n-]n1 ZINC001592689331 1349705398 /nfs/dbraw/zinc/70/53/98/1349705398.db2.gz UQQWDWWWEBAWRE-UHFFFAOYSA-N -1 3 343.709 2.178 20 30 EEEDHM N#Cc1ncn(CCCSCc2ccccc2)c1-c1nnn[n-]1 ZINC001592709498 1349710595 /nfs/dbraw/zinc/71/05/95/1349710595.db2.gz HSBPOULCUYDREF-UHFFFAOYSA-N -1 3 325.401 2.258 20 30 EEEDHM C=C(C)[C@@H](CC(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1)OCC ZINC001602753326 1350581146 /nfs/dbraw/zinc/58/11/46/1350581146.db2.gz OCKSVKQXIMSGEP-OAHLLOKOSA-N -1 3 329.404 2.163 20 30 EEEDHM C=C(C)[C@@H](CC(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1)OCC ZINC001602753326 1350581151 /nfs/dbraw/zinc/58/11/51/1350581151.db2.gz OCKSVKQXIMSGEP-OAHLLOKOSA-N -1 3 329.404 2.163 20 30 EEEDHM C=C(C)CNC(=S)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001602762894 1350583400 /nfs/dbraw/zinc/58/34/00/1350583400.db2.gz NKYKJMQDFAETCM-CQSZACIVSA-N -1 3 328.445 2.284 20 30 EEEDHM C=C(C)CNC(=S)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001602762894 1350583403 /nfs/dbraw/zinc/58/34/03/1350583403.db2.gz NKYKJMQDFAETCM-CQSZACIVSA-N -1 3 328.445 2.284 20 30 EEEDHM C=C[C@](C)(CCOC)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001602794654 1350587547 /nfs/dbraw/zinc/58/75/47/1350587547.db2.gz MISLOLHFYXPPHZ-MRXNPFEDSA-N -1 3 331.376 2.043 20 30 EEEDHM C=C[C@](C)(CCOC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001602794654 1350587549 /nfs/dbraw/zinc/58/75/49/1350587549.db2.gz MISLOLHFYXPPHZ-MRXNPFEDSA-N -1 3 331.376 2.043 20 30 EEEDHM C=CCC1(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001602818807 1350591136 /nfs/dbraw/zinc/59/11/36/1350591136.db2.gz WVKJIXDODZCECF-UHFFFAOYSA-N -1 3 326.404 2.284 20 30 EEEDHM C=CCC1(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC001602818097 1350591169 /nfs/dbraw/zinc/59/11/69/1350591169.db2.gz BIDBFMSHBLICIX-UHFFFAOYSA-N -1 3 341.415 2.041 20 30 EEEDHM C=CCC1(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001602818097 1350591170 /nfs/dbraw/zinc/59/11/70/1350591170.db2.gz BIDBFMSHBLICIX-UHFFFAOYSA-N -1 3 341.415 2.041 20 30 EEEDHM C=CCCCC(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001602833019 1350593456 /nfs/dbraw/zinc/59/34/56/1350593456.db2.gz ZSCOYKODSSRRIX-NEPJUHHUSA-N -1 3 343.435 2.232 20 30 EEEDHM C=CCCCC(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001602833019 1350593462 /nfs/dbraw/zinc/59/34/62/1350593462.db2.gz ZSCOYKODSSRRIX-NEPJUHHUSA-N -1 3 343.435 2.232 20 30 EEEDHM CC(C)Oc1ccc(NC(=O)c2cccc(C#N)n2)cc1-c1nnn[n-]1 ZINC001603369909 1350696886 /nfs/dbraw/zinc/69/68/86/1350696886.db2.gz LAQHJXZISNCYEQ-UHFFFAOYSA-N -1 3 349.354 2.173 20 30 EEEDHM CC(C)Oc1ccc(NC(=O)c2cccc(C#N)n2)cc1-c1nn[n-]n1 ZINC001603369909 1350696891 /nfs/dbraw/zinc/69/68/91/1350696891.db2.gz LAQHJXZISNCYEQ-UHFFFAOYSA-N -1 3 349.354 2.173 20 30 EEEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 ZINC001603712437 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ZINC001184331787 801989732 /nfs/dbraw/zinc/98/97/32/801989732.db2.gz MIRFOVCENIQXNV-UHFFFAOYSA-N -1 3 332.278 2.452 20 30 EEEDHM N#Cc1cc(NC(=O)Cn2c(=O)[nH]c3cc(F)ccc32)ccc1[O-] ZINC001184518819 802051612 /nfs/dbraw/zinc/05/16/12/802051612.db2.gz WKJZGWFTNJWLRP-UHFFFAOYSA-N -1 3 326.287 2.097 20 30 EEEDHM C[C@@H](OC(=O)c1cccc2nn[n-]c21)C(=O)Nc1cccc(C#N)c1 ZINC000790072759 808365912 /nfs/dbraw/zinc/36/59/12/808365912.db2.gz AIDAAVOYOITDHV-SNVBAGLBSA-N -1 3 335.323 2.014 20 30 EEEDHM C[C@@H](OC(=O)c1cccc2[n-]nnc21)C(=O)Nc1cccc(C#N)c1 ZINC000790072759 808365921 /nfs/dbraw/zinc/36/59/21/808365921.db2.gz AIDAAVOYOITDHV-SNVBAGLBSA-N -1 3 335.323 2.014 20 30 EEEDHM C[C@@H](OC(=O)c1cccc2n[n-]nc21)C(=O)Nc1cccc(C#N)c1 ZINC000790072759 808365929 /nfs/dbraw/zinc/36/59/29/808365929.db2.gz AIDAAVOYOITDHV-SNVBAGLBSA-N -1 3 335.323 2.014 20 30 EEEDHM Cc1ncc(CO)c(/C=N/Cc2cc3ccccc3n(C)c2=O)c1[O-] ZINC000793653763 810435957 /nfs/dbraw/zinc/43/59/57/810435957.db2.gz GSCWRMGJYWUNHS-KEBDBYFISA-N -1 3 337.379 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C=CC(C)(C)c1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000297685541 465266687 /nfs/dbraw/zinc/26/66/87/465266687.db2.gz LRPCSLCSDGWXLF-KRWDZBQOSA-N -1 3 326.356 2.255 20 30 EEEDHM C[N-]S(=O)(=O)c1ccc(CNc2ccc(C#N)cc2F)s1 ZINC000060355787 462542776 /nfs/dbraw/zinc/54/27/76/462542776.db2.gz RFOCGEDHNZARGY-UHFFFAOYSA-N -1 3 325.390 2.279 20 30 EEEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCOC2(CCCC2)C1 ZINC000127563400 462563826 /nfs/dbraw/zinc/56/38/26/462563826.db2.gz YXYZGXISPJMMNQ-AWEZNQCLSA-N -1 3 338.404 2.467 20 30 EEEDHM N#C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000061889612 462603279 /nfs/dbraw/zinc/60/32/79/462603279.db2.gz KLBANGIVNOPZKM-SCZZXKLOSA-N -1 3 329.765 2.219 20 30 EEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(F)cc1 ZINC000005165146 462647590 /nfs/dbraw/zinc/64/75/90/462647590.db2.gz MHBNAIDSEROKIC-UHFFFAOYSA-N -1 3 327.359 2.252 20 30 EEEDHM CCS(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)cc1 ZINC000063809536 462673836 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EEEDHM C=C[C@](C)(CCOC)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588499818 1348910262 /nfs/dbraw/zinc/91/02/62/1348910262.db2.gz MVHLDZOERLIKLE-MRXNPFEDSA-N -1 3 334.351 2.278 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588518730 1348911011 /nfs/dbraw/zinc/91/10/11/1348911011.db2.gz JZSXXSZIFVYABJ-STQMWFEESA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588518730 1348911016 /nfs/dbraw/zinc/91/10/16/1348911016.db2.gz JZSXXSZIFVYABJ-STQMWFEESA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@@H](CC)CC(=O)NCC[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001588524345 1348912206 /nfs/dbraw/zinc/91/22/06/1348912206.db2.gz QIAJTFNQUVTDPB-STQMWFEESA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@@H](CC)CC(=O)NCC[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001588524345 1348912208 /nfs/dbraw/zinc/91/22/08/1348912208.db2.gz QIAJTFNQUVTDPB-STQMWFEESA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCC(CC=C)C(=O)NCc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588544440 1348914768 /nfs/dbraw/zinc/91/47/68/1348914768.db2.gz GRQUTFQYUOXQHX-UHFFFAOYSA-N -1 3 327.388 2.260 20 30 EEEDHM C=CCC(CC=C)C(=O)NCc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588544440 1348914770 /nfs/dbraw/zinc/91/47/70/1348914770.db2.gz GRQUTFQYUOXQHX-UHFFFAOYSA-N -1 3 327.388 2.260 20 30 EEEDHM C=CC[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C)c2)C1 ZINC001588559869 1348917061 /nfs/dbraw/zinc/91/70/61/1348917061.db2.gz LMTVTZKFHXGMFQ-CYBMUJFWSA-N -1 3 347.444 2.152 20 30 EEEDHM C=CC[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C)c2)C1 ZINC001588559869 1348917068 /nfs/dbraw/zinc/91/70/68/1348917068.db2.gz LMTVTZKFHXGMFQ-CYBMUJFWSA-N -1 3 347.444 2.152 20 30 EEEDHM C=CC[C@@H]1CCN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001588565282 1348917599 /nfs/dbraw/zinc/91/75/99/1348917599.db2.gz YNBDKDHISQFGQH-CQSZACIVSA-N -1 3 329.429 2.277 20 30 EEEDHM C=CC[C@@H]1CCN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001588565282 1348917604 /nfs/dbraw/zinc/91/76/04/1348917604.db2.gz YNBDKDHISQFGQH-CQSZACIVSA-N -1 3 329.429 2.277 20 30 EEEDHM C=CCCC(=O)N1CCC[C@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001588566000 1348917857 /nfs/dbraw/zinc/91/78/57/1348917857.db2.gz AVTVZBIFDIDMFP-NSHDSACASA-N -1 3 347.448 2.001 20 30 EEEDHM C=CCCC(=O)N1CCC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588567196 1348918833 /nfs/dbraw/zinc/91/88/33/1348918833.db2.gz QQEHPINLBXUDQI-LBPRGKRZSA-N -1 3 344.394 2.375 20 30 EEEDHM C=CCCC(=O)N1CCC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588567196 1348918836 /nfs/dbraw/zinc/91/88/36/1348918836.db2.gz QQEHPINLBXUDQI-LBPRGKRZSA-N -1 3 344.394 2.375 20 30 EEEDHM C=CCC[C@@H]1NC(=O)N(c2ccc(C3CC3)c(-c3nnn[n-]3)c2)C1=O ZINC001588582950 1348921262 /nfs/dbraw/zinc/92/12/62/1348921262.db2.gz RYDZOSVTTUDKKV-AWEZNQCLSA-N -1 3 338.371 2.135 20 30 EEEDHM C=CCC[C@@H]1NC(=O)N(c2ccc(C3CC3)c(-c3nn[n-]n3)c2)C1=O ZINC001588582950 1348921266 /nfs/dbraw/zinc/92/12/66/1348921266.db2.gz RYDZOSVTTUDKKV-AWEZNQCLSA-N -1 3 338.371 2.135 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ocnc1CC ZINC001588647811 1348926427 /nfs/dbraw/zinc/92/64/27/1348926427.db2.gz FFZUZVMGSUWIQU-UHFFFAOYSA-N -1 3 338.371 2.246 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ocnc1CC ZINC001588647811 1348926428 /nfs/dbraw/zinc/92/64/28/1348926428.db2.gz FFZUZVMGSUWIQU-UHFFFAOYSA-N -1 3 338.371 2.246 20 30 EEEDHM C=CCn1ncc2ccc(NC(=O)c3cnccc3-c3nnn[n-]3)cc21 ZINC001588716302 1348929792 /nfs/dbraw/zinc/92/97/92/1348929792.db2.gz BPFZYDZOVBWQQD-UHFFFAOYSA-N -1 3 346.354 2.050 20 30 EEEDHM C=CCn1ncc2ccc(NC(=O)c3cnccc3-c3nn[n-]n3)cc21 ZINC001588716302 1348929794 /nfs/dbraw/zinc/92/97/94/1348929794.db2.gz BPFZYDZOVBWQQD-UHFFFAOYSA-N -1 3 346.354 2.050 20 30 EEEDHM CC(N=Nc1ncncc1F)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588781059 1348935171 /nfs/dbraw/zinc/93/51/71/1348935171.db2.gz APEJSBZGMKZKLI-UHFFFAOYSA-N -1 3 332.730 2.285 20 30 EEEDHM CC(N=Nc1ncncc1F)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588781059 1348935173 /nfs/dbraw/zinc/93/51/73/1348935173.db2.gz APEJSBZGMKZKLI-UHFFFAOYSA-N -1 3 332.730 2.285 20 30 EEEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc2n(n1)CCC2 ZINC001588777083 1348935520 /nfs/dbraw/zinc/93/55/20/1348935520.db2.gz BLLZJKDEOCNPFB-UHFFFAOYSA-N -1 3 342.794 2.499 20 30 EEEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc2n(n1)CCC2 ZINC001588777083 1348935523 /nfs/dbraw/zinc/93/55/23/1348935523.db2.gz BLLZJKDEOCNPFB-UHFFFAOYSA-N -1 3 342.794 2.499 20 30 EEEDHM C[C@@H]([NH2+][C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1cccc(C#N)c1[O-] ZINC001589953481 1349077437 /nfs/dbraw/zinc/07/74/37/1349077437.db2.gz FPKYNIMQOAFATD-BZNIZROVSA-N -1 3 346.394 2.262 20 30 EEEDHM C[C@@H]([NH2+][C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1cccc(C#N)c1[O-] ZINC001589953481 1349077449 /nfs/dbraw/zinc/07/74/49/1349077449.db2.gz FPKYNIMQOAFATD-BZNIZROVSA-N -1 3 346.394 2.262 20 30 EEEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1ccc(C#N)cc1 ZINC001590030783 1349119554 /nfs/dbraw/zinc/11/95/54/1349119554.db2.gz HOQOYDDCKDKLPS-NSHDSACASA-N -1 3 335.323 2.111 20 30 EEEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1ccc(C#N)cc1 ZINC001590030783 1349119559 /nfs/dbraw/zinc/11/95/59/1349119559.db2.gz HOQOYDDCKDKLPS-NSHDSACASA-N -1 3 335.323 2.111 20 30 EEEDHM C[C@@H]1COCC1N=Nc1cc(-c2nnn[n-]2)ccc1Br ZINC001590322457 1349263807 /nfs/dbraw/zinc/26/38/07/1349263807.db2.gz CAKMNPNTOHXNRN-SSDOTTSWSA-N -1 3 337.181 2.063 20 30 EEEDHM C[C@@H]1COCC1N=Nc1cc(-c2nn[n-]n2)ccc1Br ZINC001590322457 1349263816 /nfs/dbraw/zinc/26/38/16/1349263816.db2.gz CAKMNPNTOHXNRN-SSDOTTSWSA-N -1 3 337.181 2.063 20 30 EEEDHM CCC[C@H](C#N)NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001590539107 1349364967 /nfs/dbraw/zinc/36/49/67/1349364967.db2.gz YLLQJAIXSDXSBR-OAHLLOKOSA-N -1 3 338.415 2.487 20 30 EEEDHM CCC[C@H](C#N)NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001590539107 1349364968 /nfs/dbraw/zinc/36/49/68/1349364968.db2.gz YLLQJAIXSDXSBR-OAHLLOKOSA-N -1 3 338.415 2.487 20 30 EEEDHM CCn1cncc1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2 ZINC001590964369 1349424742 /nfs/dbraw/zinc/42/47/42/1349424742.db2.gz WMRRSMDPVMFRSO-VOTSOKGWSA-N -1 3 337.387 2.035 20 30 EEEDHM CCn1cncc1C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2 ZINC001590964369 1349424745 /nfs/dbraw/zinc/42/47/45/1349424745.db2.gz WMRRSMDPVMFRSO-VOTSOKGWSA-N -1 3 337.387 2.035 20 30 EEEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1cccc(C#N)c1 ZINC001591567325 1349507278 /nfs/dbraw/zinc/50/72/78/1349507278.db2.gz MUTWRNWVCNPMBK-UHFFFAOYSA-N -1 3 349.354 2.069 20 30 EEEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1cccc(C#N)c1 ZINC001591567325 1349507284 /nfs/dbraw/zinc/50/72/84/1349507284.db2.gz MUTWRNWVCNPMBK-UHFFFAOYSA-N -1 3 349.354 2.069 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)cc(NC(=O)CC2(C#N)CCCCC2)n1 ZINC001591857868 1349546898 /nfs/dbraw/zinc/54/68/98/1349546898.db2.gz RIFPBIYLEBULKN-UHFFFAOYSA-N -1 3 325.376 2.373 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)cc(NC(=O)CC2(C#N)CCCCC2)n1 ZINC001591857868 1349546905 /nfs/dbraw/zinc/54/69/05/1349546905.db2.gz RIFPBIYLEBULKN-UHFFFAOYSA-N -1 3 325.376 2.373 20 30 EEEDHM Cc1cc(NC(=O)N(C)[C@@H]2CCC[C@H]2C#N)cc(-c2nnn[n-]2)c1 ZINC001592019212 1349583880 /nfs/dbraw/zinc/58/38/80/1349583880.db2.gz FIKTXXOYQXFOQL-SMDDNHRTSA-N -1 3 325.376 2.331 20 30 EEEDHM Cc1cc(NC(=O)N(C)[C@@H]2CCC[C@H]2C#N)cc(-c2nn[n-]n2)c1 ZINC001592019212 1349583889 /nfs/dbraw/zinc/58/38/89/1349583889.db2.gz FIKTXXOYQXFOQL-SMDDNHRTSA-N -1 3 325.376 2.331 20 30 EEEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2cnn(C3CCC3)c2)n1 ZINC001592524268 1349646490 /nfs/dbraw/zinc/64/64/90/1349646490.db2.gz GQDQXAPGWCKGCY-UHFFFAOYSA-N -1 3 343.782 2.283 20 30 EEEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2cnn(C3CCC3)c2)n1 ZINC001592524268 1349646492 /nfs/dbraw/zinc/64/64/92/1349646492.db2.gz GQDQXAPGWCKGCY-UHFFFAOYSA-N -1 3 343.782 2.283 20 30 EEEDHM N#Cc1ccc2c(c1)CN(c1nc3ncccc3cc1-c1nnn[n-]1)C2 ZINC001592698038 1349707675 /nfs/dbraw/zinc/70/76/75/1349707675.db2.gz GGZRPHKNFNJECN-UHFFFAOYSA-N -1 3 340.350 2.202 20 30 EEEDHM N#Cc1ccc2c(c1)CN(c1nc3ncccc3cc1-c1nn[n-]n1)C2 ZINC001592698038 1349707681 /nfs/dbraw/zinc/70/76/81/1349707681.db2.gz GGZRPHKNFNJECN-UHFFFAOYSA-N -1 3 340.350 2.202 20 30 EEEDHM N#Cc1ccc(NC(=O)CN2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc1Cl ZINC001601106773 1350211105 /nfs/dbraw/zinc/21/11/05/1350211105.db2.gz BYRBFGUNDYXXNZ-PBHICJAKSA-N -1 3 347.802 2.479 20 30 EEEDHM C#Cc1cccc(NC(=O)[C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001602741429 1350578922 /nfs/dbraw/zinc/57/89/22/1350578922.db2.gz KRROYSQCAIQSFX-INIZCTEOSA-N -1 3 342.362 2.169 20 30 EEEDHM C#Cc1cccc(NC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001602741429 1350578925 /nfs/dbraw/zinc/57/89/25/1350578925.db2.gz KRROYSQCAIQSFX-INIZCTEOSA-N -1 3 342.362 2.169 20 30 EEEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1nc2ncccc2cc1-c1nnn[n-]1 ZINC001602753346 1350581555 /nfs/dbraw/zinc/58/15/55/1350581555.db2.gz OELAGZFETXIMDR-TZMCWYRMSA-N -1 3 337.387 2.203 20 30 EEEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1nc2ncccc2cc1-c1nn[n-]n1 ZINC001602753346 1350581557 /nfs/dbraw/zinc/58/15/57/1350581557.db2.gz OELAGZFETXIMDR-TZMCWYRMSA-N -1 3 337.387 2.203 20 30 EEEDHM C=CC(C)(C)CC(=O)NCCCNc1nc(C)ccc1-c1nnn[n-]1 ZINC001602786794 1350586198 /nfs/dbraw/zinc/58/61/98/1350586198.db2.gz JGYCOADIHYQWPR-UHFFFAOYSA-N -1 3 343.435 2.091 20 30 EEEDHM C=CC(C)(C)CC(=O)NCCCNc1nc(C)ccc1-c1nn[n-]n1 ZINC001602786794 1350586204 /nfs/dbraw/zinc/58/62/04/1350586204.db2.gz JGYCOADIHYQWPR-UHFFFAOYSA-N -1 3 343.435 2.091 20 30 EEEDHM C=CCC(C)(C)C(=O)OCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC001602808320 1350589590 /nfs/dbraw/zinc/58/95/90/1350589590.db2.gz AVJLOJDUYVDMER-UHFFFAOYSA-N -1 3 344.371 2.299 20 30 EEEDHM C=CCC(C)(C)C(=O)OCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC001602808320 1350589592 /nfs/dbraw/zinc/58/95/92/1350589592.db2.gz AVJLOJDUYVDMER-UHFFFAOYSA-N -1 3 344.371 2.299 20 30 EEEDHM C=CC[C@@H](C)OC(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001602811312 1350589949 /nfs/dbraw/zinc/58/99/49/1350589949.db2.gz IOTBVQZGQZDWCI-SSDOTTSWSA-N -1 3 327.266 2.402 20 30 EEEDHM C=CCC(F)(F)C(=O)N(CCOC)c1ccc(-c2nnn[n-]2)cc1 ZINC001602816546 1350590556 /nfs/dbraw/zinc/59/05/56/1350590556.db2.gz QHEQKONZJJGMRE-UHFFFAOYSA-N -1 3 337.330 2.058 20 30 EEEDHM C=CCC(F)(F)C(=O)N(CCOC)c1ccc(-c2nn[n-]n2)cc1 ZINC001602816546 1350590560 /nfs/dbraw/zinc/59/05/60/1350590560.db2.gz QHEQKONZJJGMRE-UHFFFAOYSA-N -1 3 337.330 2.058 20 30 EEEDHM C=CCCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001602826152 1350592070 /nfs/dbraw/zinc/59/20/70/1350592070.db2.gz AVDOAESDEBFTEC-UHFFFAOYSA-N -1 3 341.419 2.069 20 30 EEEDHM C=CCCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001602826152 1350592072 /nfs/dbraw/zinc/59/20/72/1350592072.db2.gz AVDOAESDEBFTEC-UHFFFAOYSA-N -1 3 341.419 2.069 20 30 EEEDHM C=CCN(CCC#N)c1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1 ZINC001602852013 1350596435 /nfs/dbraw/zinc/59/64/35/1350596435.db2.gz GHJYWCJZUXIBAM-UHFFFAOYSA-N -1 3 348.370 2.355 20 30 EEEDHM C=CCN(CCC#N)c1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1 ZINC001602852013 1350596439 /nfs/dbraw/zinc/59/64/39/1350596439.db2.gz GHJYWCJZUXIBAM-UHFFFAOYSA-N -1 3 348.370 2.355 20 30 EEEDHM C=CCN(CCc1ccccc1)C(=O)c1cnccc1-c1nnn[n-]1 ZINC001602852120 1350596689 /nfs/dbraw/zinc/59/66/89/1350596689.db2.gz 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C=CCOC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735438209 578153708 /nfs/dbraw/zinc/15/37/08/578153708.db2.gz YBWCCRMYEZLJGE-UHFFFAOYSA-N -1 3 326.312 2.382 20 30 EEEDHM CC(C)CCO[C@@H](C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735820274 578169103 /nfs/dbraw/zinc/16/91/03/578169103.db2.gz RTMZTTBBUXZPSZ-NSHDSACASA-N -1 3 328.376 2.128 20 30 EEEDHM CC(C)CCO[C@@H](C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735820274 578169104 /nfs/dbraw/zinc/16/91/04/578169104.db2.gz RTMZTTBBUXZPSZ-NSHDSACASA-N -1 3 328.376 2.128 20 30 EEEDHM C=C(C)CN1CCC(NC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)CC1 ZINC000736095032 578180865 /nfs/dbraw/zinc/18/08/65/578180865.db2.gz FPWVXUNHVPYDAC-UHFFFAOYSA-N -1 3 349.431 2.468 20 30 EEEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736166920 578184025 /nfs/dbraw/zinc/18/40/25/578184025.db2.gz ARMMMBUNONOTKU-LBPRGKRZSA-N -1 3 348.366 2.169 20 30 EEEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736166920 578184026 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20 30 EEEDHM C=CCC1(COC(=O)c2cc(-c3nn[n-]n3)[nH]c2C)CCOCC1 ZINC001588557682 1348916730 /nfs/dbraw/zinc/91/67/30/1348916730.db2.gz SUGJXKRMIKXGAV-UHFFFAOYSA-N -1 3 331.376 2.033 20 30 EEEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC001588561293 1348917030 /nfs/dbraw/zinc/91/70/30/1348917030.db2.gz ZDILCPXQBGSIJJ-DZGCQCFKSA-N -1 3 341.415 2.497 20 30 EEEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC001588561293 1348917033 /nfs/dbraw/zinc/91/70/33/1348917033.db2.gz ZDILCPXQBGSIJJ-DZGCQCFKSA-N -1 3 341.415 2.497 20 30 EEEDHM C=CCC[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588582021 1348919929 /nfs/dbraw/zinc/91/99/29/1348919929.db2.gz DTHYVSYPWWBLPW-CYBMUJFWSA-N -1 3 347.444 2.294 20 30 EEEDHM C=CCC[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588582021 1348919932 /nfs/dbraw/zinc/91/99/32/1348919932.db2.gz DTHYVSYPWWBLPW-CYBMUJFWSA-N -1 3 347.444 2.294 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1cccnc1C ZINC001588640698 1348925985 /nfs/dbraw/zinc/92/59/85/1348925985.db2.gz YIDOMZSDLZYZGS-UHFFFAOYSA-N -1 3 348.410 2.327 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1cccnc1C ZINC001588640698 1348925988 /nfs/dbraw/zinc/92/59/88/1348925988.db2.gz YIDOMZSDLZYZGS-UHFFFAOYSA-N -1 3 348.410 2.327 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1ccc[nH]1 ZINC001588640473 1348926367 /nfs/dbraw/zinc/92/63/67/1348926367.db2.gz SYRZWOBPFOSZMN-CMDGGOBGSA-N -1 3 334.383 2.423 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1ccc[nH]1 ZINC001588640473 1348926368 /nfs/dbraw/zinc/92/63/68/1348926368.db2.gz SYRZWOBPFOSZMN-CMDGGOBGSA-N -1 3 334.383 2.423 20 30 EEEDHM C=CCn1c([C@H]2C[C@@H]2C)nnc1N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001588703423 1348930054 /nfs/dbraw/zinc/93/00/54/1348930054.db2.gz PECXVBOYVZLRFO-FZMZJTMJSA-N -1 3 348.414 2.288 20 30 EEEDHM C=CCn1c([C@H]2C[C@@H]2C)nnc1N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001588703423 1348930057 /nfs/dbraw/zinc/93/00/57/1348930057.db2.gz PECXVBOYVZLRFO-FZMZJTMJSA-N -1 3 348.414 2.288 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC001588725354 1348930911 /nfs/dbraw/zinc/93/09/11/1348930911.db2.gz BUYAEUGCFNIZGP-KOLCDFICSA-N -1 3 345.428 2.337 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC001588725354 1348930914 /nfs/dbraw/zinc/93/09/14/1348930914.db2.gz BUYAEUGCFNIZGP-KOLCDFICSA-N -1 3 345.428 2.337 20 30 EEEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)Cc1nc(C#N)cs1 ZINC001590046048 1349126191 /nfs/dbraw/zinc/12/61/91/1349126191.db2.gz HRIDIWSDMNSIRZ-SNVBAGLBSA-N -1 3 325.401 2.388 20 30 EEEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)Cc1nc(C#N)cs1 ZINC001590046048 1349126195 /nfs/dbraw/zinc/12/61/95/1349126195.db2.gz HRIDIWSDMNSIRZ-SNVBAGLBSA-N -1 3 325.401 2.388 20 30 EEEDHM C[C@@]1(C#N)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001590054659 1349133324 /nfs/dbraw/zinc/13/33/24/1349133324.db2.gz MUGRDHWMXWLSFT-AWEZNQCLSA-N -1 3 331.767 2.288 20 30 EEEDHM C[C@@]1(C#N)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001590054659 1349133325 /nfs/dbraw/zinc/13/33/25/1349133325.db2.gz MUGRDHWMXWLSFT-AWEZNQCLSA-N -1 3 331.767 2.288 20 30 EEEDHM CCCCCCCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001590594252 1349374886 /nfs/dbraw/zinc/37/48/86/1349374886.db2.gz HJZGZXDQVRWZJS-UHFFFAOYSA-N -1 3 341.412 2.255 20 30 EEEDHM CCCCCCCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001590594252 1349374881 /nfs/dbraw/zinc/37/48/81/1349374881.db2.gz HJZGZXDQVRWZJS-UHFFFAOYSA-N -1 3 341.412 2.255 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1NC(=O)C1(C#N)CCCCC1 ZINC001591489860 1349492320 /nfs/dbraw/zinc/49/23/20/1349492320.db2.gz SAIAKDTUSVMEKY-UHFFFAOYSA-N -1 3 326.360 2.288 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1NC(=O)C1(C#N)CCCCC1 ZINC001591489860 1349492322 /nfs/dbraw/zinc/49/23/22/1349492322.db2.gz SAIAKDTUSVMEKY-UHFFFAOYSA-N -1 3 326.360 2.288 20 30 EEEDHM N#Cc1ccc(NC(=O)C[C@H]2CC[C@@H](C3CC3)O2)cc1-c1nnn[n-]1 ZINC001592695311 1349707754 /nfs/dbraw/zinc/70/77/54/1349707754.db2.gz MLQHIMWGGBACPT-HIFRSBDPSA-N -1 3 338.371 2.025 20 30 EEEDHM N#Cc1ccc(NC(=O)C[C@H]2CC[C@@H](C3CC3)O2)cc1-c1nn[n-]n1 ZINC001592695311 1349707759 /nfs/dbraw/zinc/70/77/59/1349707759.db2.gz MLQHIMWGGBACPT-HIFRSBDPSA-N -1 3 338.371 2.025 20 30 EEEDHM C#C[C@H](CCC)NC(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001602689990 1350573308 /nfs/dbraw/zinc/57/33/08/1350573308.db2.gz XXTFPKVMTKEAJY-CYBMUJFWSA-N -1 3 336.355 2.053 20 30 EEEDHM C#C[C@H](CCC)NC(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001602689990 1350573311 /nfs/dbraw/zinc/57/33/11/1350573311.db2.gz XXTFPKVMTKEAJY-CYBMUJFWSA-N -1 3 336.355 2.053 20 30 EEEDHM C#C[C@@H](NC(=O)c1ccc(Br)cc1-c1nnn[n-]1)C(C)C ZINC001602689435 1350573989 /nfs/dbraw/zinc/57/39/89/1350573989.db2.gz RENIVVTYDLKTFH-GFCCVEGCSA-N -1 3 348.204 2.017 20 30 EEEDHM C#C[C@@H](NC(=O)c1ccc(Br)cc1-c1nn[n-]n1)C(C)C ZINC001602689435 1350573992 /nfs/dbraw/zinc/57/39/92/1350573992.db2.gz RENIVVTYDLKTFH-GFCCVEGCSA-N -1 3 348.204 2.017 20 30 EEEDHM C=C(Cl)C[C@@H](NCc1cc(-c2nnn[n-]2)cs1)C(=O)OCC ZINC001602767406 1350584187 /nfs/dbraw/zinc/58/41/87/1350584187.db2.gz FKOYWENRLCQEEA-LLVKDONJSA-N -1 3 341.824 2.092 20 30 EEEDHM C=C(Cl)C[C@@H](NCc1cc(-c2nn[n-]n2)cs1)C(=O)OCC ZINC001602767406 1350584192 /nfs/dbraw/zinc/58/41/92/1350584192.db2.gz FKOYWENRLCQEEA-LLVKDONJSA-N -1 3 341.824 2.092 20 30 EEEDHM C=CC(C)(C)CC(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001602785454 1350586499 /nfs/dbraw/zinc/58/64/99/1350586499.db2.gz VIWXBJLFUWGXSF-RYUDHWBXSA-N -1 3 343.435 2.169 20 30 EEEDHM C=CC(C)(C)CC(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001602785454 1350586501 /nfs/dbraw/zinc/58/65/01/1350586501.db2.gz VIWXBJLFUWGXSF-RYUDHWBXSA-N -1 3 343.435 2.169 20 30 EEEDHM C=C[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001602797898 1350587279 /nfs/dbraw/zinc/58/72/79/1350587279.db2.gz KDUVIEFCQWWSCR-SSDOTTSWSA-N -1 3 337.181 2.325 20 30 EEEDHM C=C[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001602797898 1350587283 /nfs/dbraw/zinc/58/72/83/1350587283.db2.gz KDUVIEFCQWWSCR-SSDOTTSWSA-N -1 3 337.181 2.325 20 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/nfs/dbraw/zinc/75/52/38/1350755238.db2.gz UYSMPZJUIATIHJ-INIZCTEOSA-N -1 3 341.325 2.433 20 30 EEEDHM CCc1c(C)sc(NC(=O)c2cnccc2-c2nnn[n-]2)c1C#N ZINC001604505785 1350950627 /nfs/dbraw/zinc/95/06/27/1350950627.db2.gz MINFWHQEEHHAHV-UHFFFAOYSA-N -1 3 339.384 2.318 20 30 EEEDHM CCc1c(C)sc(NC(=O)c2cnccc2-c2nn[n-]n2)c1C#N ZINC001604505785 1350950630 /nfs/dbraw/zinc/95/06/30/1350950630.db2.gz MINFWHQEEHHAHV-UHFFFAOYSA-N -1 3 339.384 2.318 20 30 EEEDHM CN(Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1ccsc1C#N ZINC001604799523 1351008458 /nfs/dbraw/zinc/00/84/58/1351008458.db2.gz WMJSCIHMGRJYTH-UHFFFAOYSA-N -1 3 330.398 2.134 20 30 EEEDHM CN(Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1ccsc1C#N ZINC001604799523 1351008463 /nfs/dbraw/zinc/00/84/63/1351008463.db2.gz WMJSCIHMGRJYTH-UHFFFAOYSA-N -1 3 330.398 2.134 20 30 EEEDHM COC(=O)c1ccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)o1 ZINC001604969758 1351041482 /nfs/dbraw/zinc/04/14/82/1351041482.db2.gz KILJJAXQIMPCMW-XFFZJAGNSA-N -1 3 336.307 2.069 20 30 EEEDHM COC(=O)c1ccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)o1 ZINC001604969758 1351041486 /nfs/dbraw/zinc/04/14/86/1351041486.db2.gz KILJJAXQIMPCMW-XFFZJAGNSA-N -1 3 336.307 2.069 20 30 EEEDHM CO[C@@H](C)CNc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001605143721 1351087971 /nfs/dbraw/zinc/08/79/71/1351087971.db2.gz DIDKVEVZUSZQEL-NSHDSACASA-N -1 3 341.419 2.239 20 30 EEEDHM CO[C@@H](C)CNc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001605143721 1351087974 /nfs/dbraw/zinc/08/79/74/1351087974.db2.gz DIDKVEVZUSZQEL-NSHDSACASA-N -1 3 341.419 2.239 20 30 EEEDHM COc1ccc2ncc(-c3nnn[n-]3)c(NCC(C)(C)CC#N)c2c1 ZINC001605311756 1351133208 /nfs/dbraw/zinc/13/32/08/1351133208.db2.gz OEILCFGPBLECIZ-UHFFFAOYSA-N -1 3 337.387 2.197 20 30 EEEDHM COc1ccc2ncc(-c3nn[n-]n3)c(NCC(C)(C)CC#N)c2c1 ZINC001605311756 1351133209 /nfs/dbraw/zinc/13/32/09/1351133209.db2.gz OEILCFGPBLECIZ-UHFFFAOYSA-N -1 3 337.387 2.197 20 30 EEEDHM Cc1c2cc(-c3nnn[n-]3)ccc2sc1C(=O)N[C@@H](C)CC#N ZINC001605474199 1351165725 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EEEDHM N#Cc1cccc(CC(=O)OCc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001606380193 1351299503 /nfs/dbraw/zinc/29/95/03/1351299503.db2.gz UQDYJSFDGRMFBF-UHFFFAOYSA-N -1 3 337.314 2.163 20 30 EEEDHM N#Cc1cccc(CC(=O)OCc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001606380193 1351299504 /nfs/dbraw/zinc/29/95/04/1351299504.db2.gz UQDYJSFDGRMFBF-UHFFFAOYSA-N -1 3 337.314 2.163 20 30 EEEDHM CSc1nc(Cl)c(C(=O)[N-]c2nnccc2C#N)c(Cl)n1 ZINC001192617955 1368420778 /nfs/dbraw/zinc/42/07/78/1368420778.db2.gz IAXPPIYXHKBPMQ-UHFFFAOYSA-N -1 3 341.183 2.419 20 30 EEEDHM C=CCCO[N-]C(=O)CCc1c(C)nc2c3cccnc3nn2c1C ZINC000856036249 1369403802 /nfs/dbraw/zinc/40/38/02/1369403802.db2.gz XMHJURHKWGCWDD-UHFFFAOYSA-N -1 3 339.399 2.451 20 30 EEEDHM C#CC(C)(C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001353011859 1372993954 /nfs/dbraw/zinc/99/39/54/1372993954.db2.gz YCNJJRBZJMSDPC-UHFFFAOYSA-N -1 3 326.727 2.444 20 30 EEEDHM COc1ncc(NC(=O)c2c(C)cc(-c3nnn[n-]3)cc2C)cc1C#N ZINC001580138998 1403833175 /nfs/dbraw/zinc/83/31/75/1403833175.db2.gz 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Cc1ccc(C(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1-c1nn[n-]n1 ZINC001609418506 1351967995 /nfs/dbraw/zinc/96/79/95/1351967995.db2.gz MLCHSPUFPBESKK-KRWDZBQOSA-N -1 3 344.378 2.464 20 30 EEEDHM N#Cc1ccc(C=C2C(=O)Nc3cc(-c4nnn[n-]4)ccc32)c(F)c1 ZINC001609498739 1351999863 /nfs/dbraw/zinc/99/98/63/1351999863.db2.gz NGLIBVSPGGSYSC-AWNIVKPZSA-N -1 3 332.298 2.370 20 30 EEEDHM N#Cc1ccc(C=C2C(=O)Nc3cc(-c4nn[n-]n4)ccc32)c(F)c1 ZINC001609498739 1351999865 /nfs/dbraw/zinc/99/98/65/1351999865.db2.gz NGLIBVSPGGSYSC-AWNIVKPZSA-N -1 3 332.298 2.370 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1Sc1ncn(-c2ccccc2)n1 ZINC001609499974 1351999879 /nfs/dbraw/zinc/99/98/79/1351999879.db2.gz SHFWIYUPAAFQFA-UHFFFAOYSA-N -1 3 346.379 2.470 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1Sc1ncn(-c2ccccc2)n1 ZINC001609499974 1351999881 /nfs/dbraw/zinc/99/98/81/1351999881.db2.gz SHFWIYUPAAFQFA-UHFFFAOYSA-N -1 3 346.379 2.470 20 30 EEEDHM O=C([C@@H]1CC12CCS(=O)(=O)CC2)N([O-])Cc1ccccc1Cl ZINC001332006509 1335702915 /nfs/dbraw/zinc/70/29/15/1335702915.db2.gz GFUHLIHKNAYDAX-LBPRGKRZSA-N -1 3 343.832 2.273 20 30 EEEDHM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@@H]2N1CCCOc1cccc(C#N)c1 ZINC001609850579 1352101546 /nfs/dbraw/zinc/10/15/46/1352101546.db2.gz HUGKJMHVMCMMHC-XFKAJCMBSA-N -1 3 344.411 2.422 20 30 EEEDHM C=CCN(c1nnc(-c2cnc[n-]c2=O)n1CCCOCC)C1CC1 ZINC001357392977 1338989598 /nfs/dbraw/zinc/98/95/98/1338989598.db2.gz LTLVKPBAFSIRSO-UHFFFAOYSA-N -1 3 344.419 2.022 20 30 EEEDHM COc1cc(C#N)ccc1C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC001434141029 1341777225 /nfs/dbraw/zinc/77/72/25/1341777225.db2.gz VGEUJOFFSCKZPR-UHFFFAOYSA-N -1 3 326.356 2.036 20 30 EEEDHM CO[C@H](CNc1c(C#N)cccc1-c1nnn[n-]1)Cc1ccccc1 ZINC001579594893 1344398552 /nfs/dbraw/zinc/39/85/52/1344398552.db2.gz SFKNADIUQBJDBE-HNNXBMFYSA-N -1 3 334.383 2.408 20 30 EEEDHM CO[C@H](CNc1c(C#N)cccc1-c1nn[n-]n1)Cc1ccccc1 ZINC001579594893 1344398556 /nfs/dbraw/zinc/39/85/56/1344398556.db2.gz SFKNADIUQBJDBE-HNNXBMFYSA-N -1 3 334.383 2.408 20 30 EEEDHM Cc1c(C#N)cccc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1N ZINC001580527480 1344530788 /nfs/dbraw/zinc/53/07/88/1344530788.db2.gz LYUOXSPIRGOHEN-UHFFFAOYSA-N -1 3 337.318 2.020 20 30 EEEDHM Cc1c(C#N)cccc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1N ZINC001580527480 1344530789 /nfs/dbraw/zinc/53/07/89/1344530789.db2.gz LYUOXSPIRGOHEN-UHFFFAOYSA-N -1 3 337.318 2.020 20 30 EEEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N1CCc2c1cccc2C#N ZINC001581134836 1344591272 /nfs/dbraw/zinc/59/12/72/1344591272.db2.gz HKALNJULAWIGRT-UHFFFAOYSA-N -1 3 330.351 2.250 20 30 EEEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N1CCc2c1cccc2C#N ZINC001581134836 1344591275 /nfs/dbraw/zinc/59/12/75/1344591275.db2.gz HKALNJULAWIGRT-UHFFFAOYSA-N -1 3 330.351 2.250 20 30 EEEDHM Cc1sc(NC(=O)c2ccc(C#N)n2C)c(-c2nnn[n-]2)c1C ZINC001581741468 1344659369 /nfs/dbraw/zinc/65/93/69/1344659369.db2.gz FGZXAIQDGNQGNL-UHFFFAOYSA-N -1 3 327.373 2.008 20 30 EEEDHM Cc1sc(NC(=O)c2ccc(C#N)n2C)c(-c2nn[n-]n2)c1C ZINC001581741468 1344659373 /nfs/dbraw/zinc/65/93/73/1344659373.db2.gz FGZXAIQDGNQGNL-UHFFFAOYSA-N -1 3 327.373 2.008 20 30 EEEDHM N#CC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)C1 ZINC001581857931 1344679212 /nfs/dbraw/zinc/67/92/12/1344679212.db2.gz KSKJIEUUJWVPIR-UHOFOFEASA-N -1 3 336.399 2.122 20 30 EEEDHM N#CC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)C1 ZINC001581857931 1344679216 /nfs/dbraw/zinc/67/92/16/1344679216.db2.gz KSKJIEUUJWVPIR-UHOFOFEASA-N -1 3 336.399 2.122 20 30 EEEDHM N#CCn1cc(Nc2c(Br)cccc2-c2nnn[n-]2)cn1 ZINC001581859446 1344680532 /nfs/dbraw/zinc/68/05/32/1344680532.db2.gz IJEBQIDJZOQHHJ-UHFFFAOYSA-N -1 3 345.164 2.093 20 30 EEEDHM N#CCn1cc(Nc2c(Br)cccc2-c2nn[n-]n2)cn1 ZINC001581859446 1344680534 /nfs/dbraw/zinc/68/05/34/1344680534.db2.gz IJEBQIDJZOQHHJ-UHFFFAOYSA-N -1 3 345.164 2.093 20 30 EEEDHM N#Cc1cccc(CC(=O)N2CCCc3c(-c4nnn[n-]4)cccc32)c1 ZINC001581875172 1344683942 /nfs/dbraw/zinc/68/39/42/1344683942.db2.gz YEKZVLANEGNPIK-UHFFFAOYSA-N -1 3 344.378 2.260 20 30 EEEDHM N#Cc1cccc(CC(=O)N2CCCc3c(-c4nn[n-]n4)cccc32)c1 ZINC001581875172 1344683948 /nfs/dbraw/zinc/68/39/48/1344683948.db2.gz YEKZVLANEGNPIK-UHFFFAOYSA-N -1 3 344.378 2.260 20 30 EEEDHM C#C[C@H](CCC)NC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588327018 1348887027 /nfs/dbraw/zinc/88/70/27/1348887027.db2.gz AESCJFMLJCBHAX-GDBMZVCRSA-N -1 3 338.415 2.345 20 30 EEEDHM C#C[C@H](CCC)NC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588327018 1348887035 /nfs/dbraw/zinc/88/70/35/1348887035.db2.gz AESCJFMLJCBHAX-GDBMZVCRSA-N -1 3 338.415 2.345 20 30 EEEDHM C#Cc1ccccc1CC(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC001588376746 1348898080 /nfs/dbraw/zinc/89/80/80/1348898080.db2.gz JWHGCACYFDQFQS-UHFFFAOYSA-N -1 3 348.362 2.013 20 30 EEEDHM C#Cc1ccccc1CC(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC001588376746 1348898089 /nfs/dbraw/zinc/89/80/89/1348898089.db2.gz JWHGCACYFDQFQS-UHFFFAOYSA-N -1 3 348.362 2.013 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N1CCO[C@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588393600 1348900489 /nfs/dbraw/zinc/90/04/89/1348900489.db2.gz QAWRKTTWHLKOQX-HNNXBMFYSA-N -1 3 341.415 2.369 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N1CCO[C@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588393600 1348900491 /nfs/dbraw/zinc/90/04/91/1348900491.db2.gz QAWRKTTWHLKOQX-HNNXBMFYSA-N -1 3 341.415 2.369 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001588401581 1348901411 /nfs/dbraw/zinc/90/14/11/1348901411.db2.gz UPNPSZNOYNGDPG-RISCZKNCSA-N -1 3 346.366 2.109 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001588401581 1348901413 /nfs/dbraw/zinc/90/14/13/1348901413.db2.gz UPNPSZNOYNGDPG-RISCZKNCSA-N -1 3 346.366 2.109 20 30 EEEDHM C=C(CCC(=O)OC)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001588444225 1348905729 /nfs/dbraw/zinc/90/57/29/1348905729.db2.gz ROTQONUWAMEDLH-UHFFFAOYSA-N -1 3 341.371 2.192 20 30 EEEDHM C=C(CCC(=O)OC)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001588444225 1348905733 /nfs/dbraw/zinc/90/57/33/1348905733.db2.gz ROTQONUWAMEDLH-UHFFFAOYSA-N -1 3 341.371 2.192 20 30 EEEDHM C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC001588456268 1348906209 /nfs/dbraw/zinc/90/62/09/1348906209.db2.gz KHKUODJYQAJYQX-OWCLPIDISA-N -1 3 339.399 2.264 20 30 EEEDHM C=CC(C)(C)CC(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588483398 1348908227 /nfs/dbraw/zinc/90/82/27/1348908227.db2.gz ITHQNKIRMWOSNB-LBPRGKRZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CC(C)(C)CC(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588483398 1348908234 /nfs/dbraw/zinc/90/82/34/1348908234.db2.gz ITHQNKIRMWOSNB-LBPRGKRZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588521416 1348912172 /nfs/dbraw/zinc/91/21/72/1348912172.db2.gz NAEQLPDVAFIWTG-XJKSGUPXSA-N -1 3 341.415 2.369 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588521416 1348912178 /nfs/dbraw/zinc/91/21/78/1348912178.db2.gz NAEQLPDVAFIWTG-XJKSGUPXSA-N -1 3 341.415 2.369 20 30 EEEDHM C=CC[C@@H](CC)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588540538 1348914430 /nfs/dbraw/zinc/91/44/30/1348914430.db2.gz APLOBXXZURGQPX-SECBINFHSA-N -1 3 341.824 2.153 20 30 EEEDHM C=CC[C@@H](CC)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588540538 1348914432 /nfs/dbraw/zinc/91/44/32/1348914432.db2.gz APLOBXXZURGQPX-SECBINFHSA-N -1 3 341.824 2.153 20 30 EEEDHM C=CC[C@H](CO)CNc1cccc(Br)c1-c1nnn[n-]1 ZINC001588545686 1348914697 /nfs/dbraw/zinc/91/46/97/1348914697.db2.gz KOKMWLZDJKXVNC-VIFPVBQESA-N -1 3 338.209 2.226 20 30 EEEDHM C=CC[C@H](CO)CNc1cccc(Br)c1-c1nn[n-]n1 ZINC001588545686 1348914698 /nfs/dbraw/zinc/91/46/98/1348914698.db2.gz KOKMWLZDJKXVNC-VIFPVBQESA-N -1 3 338.209 2.226 20 30 EEEDHM C=CC[C@@H]1N(C(=O)c2cc(-c3nnn[n-]3)cn2C)CCCC1(C)C ZINC001588563965 1348917422 /nfs/dbraw/zinc/91/74/22/1348917422.db2.gz GXTIKHKMLGGFKW-AWEZNQCLSA-N -1 3 328.420 2.412 20 30 EEEDHM C=CC[C@@H]1N(C(=O)c2cc(-c3nn[n-]n3)cn2C)CCCC1(C)C ZINC001588563965 1348917426 /nfs/dbraw/zinc/91/74/26/1348917426.db2.gz GXTIKHKMLGGFKW-AWEZNQCLSA-N -1 3 328.420 2.412 20 30 EEEDHM C=CCCCC(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588582819 1348920865 /nfs/dbraw/zinc/92/08/65/1348920865.db2.gz PCZPOXGRALSGSU-GFCCVEGCSA-N -1 3 343.435 2.185 20 30 EEEDHM C=CCCCC(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588582819 1348920868 /nfs/dbraw/zinc/92/08/68/1348920868.db2.gz PCZPOXGRALSGSU-GFCCVEGCSA-N -1 3 343.435 2.185 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NO[C@H](C)C=C ZINC001588649262 1348927323 /nfs/dbraw/zinc/92/73/23/1348927323.db2.gz LQZQNJPSHVPDFK-GFCCVEGCSA-N -1 3 328.376 2.070 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NO[C@H](C)C=C ZINC001588649262 1348927328 /nfs/dbraw/zinc/92/73/28/1348927328.db2.gz LQZQNJPSHVPDFK-GFCCVEGCSA-N -1 3 328.376 2.070 20 30 EEEDHM C=CCOc1ccc(-c2nnn[n-]2)cc1I ZINC001588689016 1348928790 /nfs/dbraw/zinc/92/87/90/1348928790.db2.gz FGSXPMNFNQKYPJ-UHFFFAOYSA-N -1 3 328.113 2.036 20 30 EEEDHM C=CCOc1ccc(-c2nn[n-]n2)cc1I ZINC001588689016 1348928797 /nfs/dbraw/zinc/92/87/97/1348928797.db2.gz FGSXPMNFNQKYPJ-UHFFFAOYSA-N -1 3 328.113 2.036 20 30 EEEDHM C=CCONC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC001588689166 1348928807 /nfs/dbraw/zinc/92/88/07/1348928807.db2.gz ICBAUSSWNQBQNR-UHFFFAOYSA-N -1 3 330.392 2.152 20 30 EEEDHM C=CCONC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC001588689166 1348928812 /nfs/dbraw/zinc/92/88/12/1348928812.db2.gz ICBAUSSWNQBQNR-UHFFFAOYSA-N -1 3 330.392 2.152 20 30 EEEDHM CC#CCCOc1c(Br)cc(-c2nnn[n-]2)cc1OC ZINC001588745916 1348930661 /nfs/dbraw/zinc/93/06/61/1348930661.db2.gz IKIIKYQACMUAHF-UHFFFAOYSA-N -1 3 337.177 2.430 20 30 EEEDHM CC#CCCOc1c(Br)cc(-c2nn[n-]n2)cc1OC ZINC001588745916 1348930663 /nfs/dbraw/zinc/93/06/63/1348930663.db2.gz IKIIKYQACMUAHF-UHFFFAOYSA-N -1 3 337.177 2.430 20 30 EEEDHM CCCn1nc(C)c(C=CC(=O)c2cc(-c3nnn[n-]3)ccn2)c1C ZINC001590664553 1349385668 /nfs/dbraw/zinc/38/56/68/1349385668.db2.gz YUSJWTKUZNYINO-WAYWQWQTSA-N -1 3 337.387 2.381 20 30 EEEDHM CCCn1nc(C)c(C=CC(=O)c2cc(-c3nn[n-]n3)ccn2)c1C ZINC001590664553 1349385673 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1348909117 /nfs/dbraw/zinc/90/91/17/1348909117.db2.gz YFDJOJDMDNQFRN-QGZVFWFLSA-N -1 3 343.435 2.124 20 30 EEEDHM C=C[C@](C)(CC)C(=O)N(C)CCCNc1ncccc1-c1nn[n-]n1 ZINC001588492976 1348909119 /nfs/dbraw/zinc/90/91/19/1348909119.db2.gz YFDJOJDMDNQFRN-QGZVFWFLSA-N -1 3 343.435 2.124 20 30 EEEDHM C=C[C@@](C)(CCOC)COC(=O)COc1ccccc1-c1nnn[n-]1 ZINC001588499923 1348910670 /nfs/dbraw/zinc/91/06/70/1348910670.db2.gz OUYFMGPJSQIFBV-KRWDZBQOSA-N -1 3 346.387 2.018 20 30 EEEDHM C=C[C@@](C)(CCOC)COC(=O)COc1ccccc1-c1nn[n-]n1 ZINC001588499923 1348910674 /nfs/dbraw/zinc/91/06/74/1348910674.db2.gz OUYFMGPJSQIFBV-KRWDZBQOSA-N -1 3 346.387 2.018 20 30 EEEDHM C=C[C@H](CC)CC(=O)N(C)CCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588518399 1348910997 /nfs/dbraw/zinc/91/09/97/1348910997.db2.gz BVQUPFYPKJIRHL-CYBMUJFWSA-N -1 3 343.435 2.043 20 30 EEEDHM C=C[C@H](CC)CC(=O)N(C)CCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588518399 1348911002 /nfs/dbraw/zinc/91/10/02/1348911002.db2.gz BVQUPFYPKJIRHL-CYBMUJFWSA-N -1 3 343.435 2.043 20 30 EEEDHM C=C[C@@H](COC)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC001588525369 1348912272 /nfs/dbraw/zinc/91/22/72/1348912272.db2.gz GTCZLACMALELTI-QMMMGPOBSA-N -1 3 342.186 2.104 20 30 EEEDHM C=C[C@@H](COC)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC001588525369 1348912275 /nfs/dbraw/zinc/91/22/75/1348912275.db2.gz GTCZLACMALELTI-QMMMGPOBSA-N -1 3 342.186 2.104 20 30 EEEDHM C=CCC1(NS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001588557534 1348915582 /nfs/dbraw/zinc/91/55/82/1348915582.db2.gz PKAWIVLYOSAJPG-UHFFFAOYSA-N -1 3 347.444 2.175 20 30 EEEDHM C=CCC1(NS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588557534 1348915585 /nfs/dbraw/zinc/91/55/85/1348915585.db2.gz PKAWIVLYOSAJPG-UHFFFAOYSA-N -1 3 347.444 2.175 20 30 EEEDHM C=CC[C@@H]1CCN1C(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001588564343 1348917818 /nfs/dbraw/zinc/91/78/18/1348917818.db2.gz LIJRGRZBJPCMSS-CQSZACIVSA-N -1 3 327.363 2.214 20 30 EEEDHM C=CC[C@@H]1CCN1C(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001588564343 1348917820 /nfs/dbraw/zinc/91/78/20/1348917820.db2.gz LIJRGRZBJPCMSS-CQSZACIVSA-N -1 3 327.363 2.214 20 30 EEEDHM C=CCCC(C)(C)NS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588578243 1348920178 /nfs/dbraw/zinc/92/01/78/1348920178.db2.gz ZQBWTIMWUJRAGF-UHFFFAOYSA-N -1 3 335.433 2.031 20 30 EEEDHM C=CCCC(C)(C)NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588578243 1348920187 /nfs/dbraw/zinc/92/01/87/1348920187.db2.gz ZQBWTIMWUJRAGF-UHFFFAOYSA-N -1 3 335.433 2.031 20 30 EEEDHM C=CCCO[C@H](C)C(=O)N(CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588608966 1348923413 /nfs/dbraw/zinc/92/34/13/1348923413.db2.gz SQQKSSHNWNRLSM-CQSZACIVSA-N -1 3 341.415 2.363 20 30 EEEDHM C=CCCO[C@H](C)C(=O)N(CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588608966 1348923415 /nfs/dbraw/zinc/92/34/15/1348923415.db2.gz SQQKSSHNWNRLSM-CQSZACIVSA-N -1 3 341.415 2.363 20 30 EEEDHM C=CCN(CCC#N)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588631368 1348924450 /nfs/dbraw/zinc/92/44/50/1348924450.db2.gz BKEHOSMTDKDVRK-UHFFFAOYSA-N -1 3 331.767 2.454 20 30 EEEDHM C=CCN(CCC#N)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588631368 1348924452 /nfs/dbraw/zinc/92/44/52/1348924452.db2.gz BKEHOSMTDKDVRK-UHFFFAOYSA-N -1 3 331.767 2.454 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCC[C@H]1OC ZINC001588638940 1348925381 /nfs/dbraw/zinc/92/53/81/1348925381.db2.gz KATAHMLLONMROW-JKSUJKDBSA-N -1 3 341.415 2.196 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCC[C@H]1OC ZINC001588638940 1348925383 /nfs/dbraw/zinc/92/53/83/1348925383.db2.gz KATAHMLLONMROW-JKSUJKDBSA-N -1 3 341.415 2.196 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1csnn1 ZINC001588649145 1348927023 /nfs/dbraw/zinc/92/70/23/1348927023.db2.gz VKFLUZSAAIFCAV-NSHDSACASA-N -1 3 327.417 2.467 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1csnn1 ZINC001588649145 1348927025 /nfs/dbraw/zinc/92/70/25/1348927025.db2.gz VKFLUZSAAIFCAV-NSHDSACASA-N -1 3 327.417 2.467 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C)on1 ZINC001588649244 1348927460 /nfs/dbraw/zinc/92/74/60/1348927460.db2.gz LLHVYNVDDUFMES-UHFFFAOYSA-N -1 3 339.359 2.383 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(C)on1 ZINC001588649244 1348927461 /nfs/dbraw/zinc/92/74/61/1348927461.db2.gz LLHVYNVDDUFMES-UHFFFAOYSA-N -1 3 339.359 2.383 20 30 EEEDHM C=CCOCCCC(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001588680748 1348929219 /nfs/dbraw/zinc/92/92/19/1348929219.db2.gz BKVMVTRIXFWPHQ-UHFFFAOYSA-N -1 3 329.404 2.201 20 30 EEEDHM C=CCOCCCC(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001588680748 1348929223 /nfs/dbraw/zinc/92/92/23/1348929223.db2.gz BKVMVTRIXFWPHQ-UHFFFAOYSA-N -1 3 329.404 2.201 20 30 EEEDHM C=CCn1c(C)nnc1SCCOc1ccccc1-c1nnn[n-]1 ZINC001588703485 1348930152 /nfs/dbraw/zinc/93/01/52/1348930152.db2.gz QBWURLWPALCAOC-UHFFFAOYSA-N -1 3 343.416 2.124 20 30 EEEDHM C=CCn1c(C)nnc1SCCOc1ccccc1-c1nn[n-]n1 ZINC001588703485 1348930154 /nfs/dbraw/zinc/93/01/54/1348930154.db2.gz QBWURLWPALCAOC-UHFFFAOYSA-N -1 3 343.416 2.124 20 30 EEEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC001588718228 1348930992 /nfs/dbraw/zinc/93/09/92/1348930992.db2.gz CQNWJSPDIDZICB-KGLIPLIRSA-N -1 3 328.376 2.030 20 30 EEEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC001588718228 1348930996 /nfs/dbraw/zinc/93/09/96/1348930996.db2.gz CQNWJSPDIDZICB-KGLIPLIRSA-N -1 3 328.376 2.030 20 30 EEEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccnc(C)n1 ZINC001588777208 1348934913 /nfs/dbraw/zinc/93/49/13/1348934913.db2.gz ITBRMRHMHVYMAF-UHFFFAOYSA-N -1 3 328.767 2.455 20 30 EEEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccnc(C)n1 ZINC001588777208 1348934916 /nfs/dbraw/zinc/93/49/16/1348934916.db2.gz ITBRMRHMHVYMAF-UHFFFAOYSA-N -1 3 328.767 2.455 20 30 EEEDHM CC(C)(C#N)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC001589034281 1348953868 /nfs/dbraw/zinc/95/38/68/1348953868.db2.gz WBBPTKAIXBWKQO-UHFFFAOYSA-N -1 3 336.302 2.346 20 30 EEEDHM CC(C)(C#N)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC001589034281 1348953871 /nfs/dbraw/zinc/95/38/71/1348953871.db2.gz WBBPTKAIXBWKQO-UHFFFAOYSA-N -1 3 336.302 2.346 20 30 EEEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccccc1C#N ZINC001590024361 1349114274 /nfs/dbraw/zinc/11/42/74/1349114274.db2.gz KLIJSOUWKWYOII-LLVKDONJSA-N -1 3 334.339 2.144 20 30 EEEDHM C[C@]1(C#N)CCN(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)C1 ZINC001590054046 1349133367 /nfs/dbraw/zinc/13/33/67/1349133367.db2.gz GXUJYHAONPBTQK-OAHLLOKOSA-N -1 3 334.330 2.204 20 30 EEEDHM C[C@]1(C#N)CCN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)C1 ZINC001590054046 1349133370 /nfs/dbraw/zinc/13/33/70/1349133370.db2.gz GXUJYHAONPBTQK-OAHLLOKOSA-N -1 3 334.330 2.204 20 30 EEEDHM COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1-c1nnn[n-]1 ZINC001591522362 1349497061 /nfs/dbraw/zinc/49/70/61/1349497061.db2.gz HOJOGGTYAJVRLC-UHFFFAOYSA-N -1 3 332.319 2.338 20 30 EEEDHM COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1-c1nn[n-]n1 ZINC001591522362 1349497068 /nfs/dbraw/zinc/49/70/68/1349497068.db2.gz HOJOGGTYAJVRLC-UHFFFAOYSA-N -1 3 332.319 2.338 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)ccc1CON=CC(=O)Nc1ccccc1 ZINC001591868927 1349553442 /nfs/dbraw/zinc/55/34/42/1349553442.db2.gz CSDXJMAINSHOQA-UHFFFAOYSA-N -1 3 336.355 2.316 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)ccc1CON=CC(=O)Nc1ccccc1 ZINC001591868927 1349553447 /nfs/dbraw/zinc/55/34/47/1349553447.db2.gz CSDXJMAINSHOQA-UHFFFAOYSA-N -1 3 336.355 2.316 20 30 EEEDHM Cc1cc(CO)cc(C)c1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001591970108 1349571140 /nfs/dbraw/zinc/57/11/40/1349571140.db2.gz GPPYJUGVZADANR-UHFFFAOYSA-N -1 3 334.383 2.460 20 30 EEEDHM Cc1cc(CO)cc(C)c1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001591970108 1349571143 /nfs/dbraw/zinc/57/11/43/1349571143.db2.gz GPPYJUGVZADANR-UHFFFAOYSA-N -1 3 334.383 2.460 20 30 EEEDHM Cc1cc(NC(=O)N(C)[C@H]2CCC[C@H]2C#N)cc(-c2nnn[n-]2)c1 ZINC001592019209 1349582598 /nfs/dbraw/zinc/58/25/98/1349582598.db2.gz FIKTXXOYQXFOQL-FZMZJTMJSA-N -1 3 325.376 2.331 20 30 EEEDHM Cc1cc(NC(=O)N(C)[C@H]2CCC[C@H]2C#N)cc(-c2nn[n-]n2)c1 ZINC001592019209 1349582610 /nfs/dbraw/zinc/58/26/10/1349582610.db2.gz FIKTXXOYQXFOQL-FZMZJTMJSA-N -1 3 325.376 2.331 20 30 EEEDHM N#C[C@]1(F)CCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC001592670593 1349703938 /nfs/dbraw/zinc/70/39/38/1349703938.db2.gz HDUDUZNRIDSYNU-GFCCVEGCSA-N -1 3 326.257 2.327 20 30 EEEDHM N#C[C@]1(F)CCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC001592670593 1349703940 /nfs/dbraw/zinc/70/39/40/1349703940.db2.gz HDUDUZNRIDSYNU-GFCCVEGCSA-N -1 3 326.257 2.327 20 30 EEEDHM N#CC1(c2ccccn2)CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001592671207 1349704523 /nfs/dbraw/zinc/70/45/23/1349704523.db2.gz IPFAEJJFZOKQCE-UHFFFAOYSA-N -1 3 349.373 2.463 20 30 EEEDHM N#CC1(c2ccccn2)CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001592671207 1349704525 /nfs/dbraw/zinc/70/45/25/1349704525.db2.gz IPFAEJJFZOKQCE-UHFFFAOYSA-N -1 3 349.373 2.463 20 30 EEEDHM N#Cc1cc(NC(=O)C[C@@H]2CC[C@@H](C3CC3)O2)ccc1-c1nnn[n-]1 ZINC001592689277 1349704824 /nfs/dbraw/zinc/70/48/24/1349704824.db2.gz QITZQXSDUOJTRX-ZFWWWQNUSA-N -1 3 338.371 2.025 20 30 EEEDHM N#Cc1cc(NC(=O)C[C@@H]2CC[C@@H](C3CC3)O2)ccc1-c1nn[n-]n1 ZINC001592689277 1349704830 /nfs/dbraw/zinc/70/48/30/1349704830.db2.gz QITZQXSDUOJTRX-ZFWWWQNUSA-N -1 3 338.371 2.025 20 30 EEEDHM N#Cc1cc(COC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)ccn1 ZINC001592688190 1349704914 /nfs/dbraw/zinc/70/49/14/1349704914.db2.gz HDQDMDYRVNCYPR-UHFFFAOYSA-N -1 3 340.730 2.144 20 30 EEEDHM N#Cc1cc(COC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)ccn1 ZINC001592688190 1349704919 /nfs/dbraw/zinc/70/49/19/1349704919.db2.gz HDQDMDYRVNCYPR-UHFFFAOYSA-N -1 3 340.730 2.144 20 30 EEEDHM N#Cc1cccnc1NCCSCc1ccccc1-c1nnn[n-]1 ZINC001592703113 1349708535 /nfs/dbraw/zinc/70/85/35/1349708535.db2.gz SBDKOSXWVQRTIA-UHFFFAOYSA-N -1 3 337.412 2.479 20 30 EEEDHM N#Cc1cccnc1NCCSCc1ccccc1-c1nn[n-]n1 ZINC001592703113 1349708538 /nfs/dbraw/zinc/70/85/38/1349708538.db2.gz SBDKOSXWVQRTIA-UHFFFAOYSA-N -1 3 337.412 2.479 20 30 EEEDHM N#Cc1cccc(CNC(=O)C2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC001592701896 1349709155 /nfs/dbraw/zinc/70/91/55/1349709155.db2.gz LCFJNIUVHLPZMV-UHFFFAOYSA-N -1 3 344.378 2.086 20 30 EEEDHM N#Cc1cccc(CNC(=O)C2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC001592701896 1349709180 /nfs/dbraw/zinc/70/91/80/1349709180.db2.gz LCFJNIUVHLPZMV-UHFFFAOYSA-N -1 3 344.378 2.086 20 30 EEEDHM N#Cc1ncn(CCCOc2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC001592709456 1349710200 /nfs/dbraw/zinc/71/02/00/1349710200.db2.gz GHOKLFLUUFFWKW-UHFFFAOYSA-N -1 3 329.751 2.057 20 30 EEEDHM N#CC(C(=O)c1ccc(C(=O)[O-])cc1F)c1nnc2n1CCCCC2 ZINC001601047636 1350197029 /nfs/dbraw/zinc/19/70/29/1350197029.db2.gz WFKMJYOPXGFLOX-GFCCVEGCSA-N -1 3 342.330 2.332 20 30 EEEDHM C=C(Cl)CNC(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001602770241 1350584772 /nfs/dbraw/zinc/58/47/72/1350584772.db2.gz ITOXKHCYBOUROA-UHFFFAOYSA-N -1 3 342.584 2.112 20 30 EEEDHM C#CC[C@H](NC(=O)c1cc(C)c(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001602697259 1350575116 /nfs/dbraw/zinc/57/51/16/1350575116.db2.gz LCSKJCVDYGQRPD-HNNXBMFYSA-N -1 3 332.367 2.065 20 30 EEEDHM C#CC[C@H](NC(=O)c1cc(C)c(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001602697259 1350575118 /nfs/dbraw/zinc/57/51/18/1350575118.db2.gz LCSKJCVDYGQRPD-HNNXBMFYSA-N -1 3 332.367 2.065 20 30 EEEDHM C#CCOc1ccc(CNCc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001602730377 1350577829 /nfs/dbraw/zinc/57/78/29/1350577829.db2.gz FBIXWEBETYMLDZ-UHFFFAOYSA-N -1 3 325.364 2.452 20 30 EEEDHM C=C(C)CCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC001602759486 1350582729 /nfs/dbraw/zinc/58/27/29/1350582729.db2.gz ICSYTQSOKSRWAI-UHFFFAOYSA-N -1 3 331.376 2.187 20 30 EEEDHM C=C(C)CCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC001602759486 1350582731 /nfs/dbraw/zinc/58/27/31/1350582731.db2.gz ICSYTQSOKSRWAI-UHFFFAOYSA-N -1 3 331.376 2.187 20 30 EEEDHM C=C(Cl)CNC(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001602770241 1350584770 /nfs/dbraw/zinc/58/47/70/1350584770.db2.gz ITOXKHCYBOUROA-UHFFFAOYSA-N -1 3 342.584 2.112 20 30 EEEDHM C=C[C@H](Sc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C(=O)OC ZINC001602803771 1350588901 /nfs/dbraw/zinc/58/89/01/1350588901.db2.gz 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C[C@@H](CO)Sc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001609114685 1351849317 /nfs/dbraw/zinc/84/93/17/1351849317.db2.gz RYMUARDYQFLDPF-JTQLQIEISA-N -1 3 344.444 2.265 20 30 EEEDHM C[C@@H](CO)Sc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001609114685 1351849320 /nfs/dbraw/zinc/84/93/20/1351849320.db2.gz RYMUARDYQFLDPF-JTQLQIEISA-N -1 3 344.444 2.265 20 30 EEEDHM CC[C@H](CC#N)NC(=O)Nc1cc(C)c(N(C)C)cc1-c1nnn[n-]1 ZINC001609187378 1351881870 /nfs/dbraw/zinc/88/18/70/1351881870.db2.gz BYDULXURQFONFF-LLVKDONJSA-N -1 3 342.407 2.055 20 30 EEEDHM CC[C@H](CC#N)NC(=O)Nc1cc(C)c(N(C)C)cc1-c1nn[n-]n1 ZINC001609187378 1351881872 /nfs/dbraw/zinc/88/18/72/1351881872.db2.gz BYDULXURQFONFF-LLVKDONJSA-N -1 3 342.407 2.055 20 30 EEEDHM C=CC[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)C(=O)OCC ZINC001327291666 1334260269 /nfs/dbraw/zinc/26/02/69/1334260269.db2.gz NJUNKMAFKHECPH-CYBMUJFWSA-N -1 3 331.821 2.267 20 30 EEEDHM COCc1cccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC001609330993 1351934767 /nfs/dbraw/zinc/93/47/67/1351934767.db2.gz DXZDYPKRDLNEDZ-UHFFFAOYSA-N -1 3 348.366 2.066 20 30 EEEDHM COCc1cccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC001609330993 1351934769 /nfs/dbraw/zinc/93/47/69/1351934769.db2.gz DXZDYPKRDLNEDZ-UHFFFAOYSA-N -1 3 348.366 2.066 20 30 EEEDHM Cc1cc(OCC(=O)Nc2sccc2C#N)ccc1-c1nn[n-]n1 ZINC001609411236 1351966053 /nfs/dbraw/zinc/96/60/53/1351966053.db2.gz WHMDXMHBBAHEJG-UHFFFAOYSA-N -1 3 340.368 2.126 20 30 EEEDHM Cc1ccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1C#N ZINC001609418508 1351967983 /nfs/dbraw/zinc/96/79/83/1351967983.db2.gz MLZQLAXJHTYINP-UHFFFAOYSA-N -1 3 344.378 2.466 20 30 EEEDHM Cc1ccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1C#N ZINC001609418508 1351967985 /nfs/dbraw/zinc/96/79/85/1351967985.db2.gz MLZQLAXJHTYINP-UHFFFAOYSA-N -1 3 344.378 2.466 20 30 EEEDHM O=C1c2ccccc2CN1N=Cc1c(F)cc(-c2nnn[n-]2)cc1F ZINC001609591508 1352029218 /nfs/dbraw/zinc/02/92/18/1352029218.db2.gz FTEBFBZIPLQZQD-UHFFFAOYSA-N -1 3 340.293 2.135 20 30 EEEDHM O=C1c2ccccc2CN1N=Cc1c(F)cc(-c2nn[n-]n2)cc1F ZINC001609591508 1352029219 /nfs/dbraw/zinc/02/92/19/1352029219.db2.gz FTEBFBZIPLQZQD-UHFFFAOYSA-N -1 3 340.293 2.135 20 30 EEEDHM C=CCn1c(CCc2nnn[n-]2)nnc1N1CCC[C@H]1[C@@H](C)CCC ZINC001340359244 1337167872 /nfs/dbraw/zinc/16/78/72/1337167872.db2.gz QREUPJZAKGQYFX-KBPBESRZSA-N -1 3 344.467 2.167 20 30 EEEDHM C=CCn1c(CCc2nn[n-]n2)nnc1N1CCC[C@H]1[C@@H](C)CCC ZINC001340359244 1337167873 /nfs/dbraw/zinc/16/78/73/1337167873.db2.gz QREUPJZAKGQYFX-KBPBESRZSA-N -1 3 344.467 2.167 20 30 EEEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000847762444 1338297302 /nfs/dbraw/zinc/29/73/02/1338297302.db2.gz QMUXXWRGMIRZER-VIFPVBQESA-N -1 3 337.305 2.190 20 30 EEEDHM Cc1cc(C)c(-c2nnn[n-]2)c(NC(=O)CC#Cc2ccccc2)n1 ZINC001580890238 1344569609 /nfs/dbraw/zinc/56/96/09/1344569609.db2.gz NCXWGXWPYCPBFV-UHFFFAOYSA-N -1 3 332.367 2.259 20 30 EEEDHM Cc1cc(C)c(-c2nn[n-]n2)c(NC(=O)CC#Cc2ccccc2)n1 ZINC001580890238 1344569612 /nfs/dbraw/zinc/56/96/12/1344569612.db2.gz NCXWGXWPYCPBFV-UHFFFAOYSA-N -1 3 332.367 2.259 20 30 EEEDHM N#Cc1cccc(CC(=O)N2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC001581874956 1344684435 /nfs/dbraw/zinc/68/44/35/1344684435.db2.gz PNEXIKMQZLJALO-UHFFFAOYSA-N -1 3 344.378 2.260 20 30 EEEDHM N#Cc1cccc(CC(=O)N2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001581874956 1344684438 /nfs/dbraw/zinc/68/44/38/1344684438.db2.gz PNEXIKMQZLJALO-UHFFFAOYSA-N -1 3 344.378 2.260 20 30 EEEDHM C#C[C@@H](C)N(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC001588325639 1348886243 /nfs/dbraw/zinc/88/62/43/1348886243.db2.gz RCVKACXCWNXJGB-GFCCVEGCSA-N -1 3 348.410 2.368 20 30 EEEDHM C#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1 ZINC001588329542 1348887886 /nfs/dbraw/zinc/88/78/86/1348887886.db2.gz INHFJNKMQXUSHE-OAHLLOKOSA-N -1 3 339.305 2.249 20 30 EEEDHM C#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC001588329542 1348887891 /nfs/dbraw/zinc/88/78/91/1348887891.db2.gz INHFJNKMQXUSHE-OAHLLOKOSA-N -1 3 339.305 2.249 20 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/nfs/dbraw/zinc/89/37/77/1348893777.db2.gz BKZHXLXFZGKFKY-UHFFFAOYSA-N -1 3 328.376 2.189 20 30 EEEDHM C#CCNC(=O)c1ccccc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588354487 1348895745 /nfs/dbraw/zinc/89/57/45/1348895745.db2.gz ZTODGPVTJHYKEI-CYBMUJFWSA-N -1 3 346.394 2.403 20 30 EEEDHM C#CCNC(=O)c1ccccc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588354487 1348895747 /nfs/dbraw/zinc/89/57/47/1348895747.db2.gz ZTODGPVTJHYKEI-CYBMUJFWSA-N -1 3 346.394 2.403 20 30 EEEDHM C#Cc1ccc(CNC(=O)c2ccc3c(-c4nnn[n-]4)c[nH]c3c2)cc1 ZINC001588373458 1348896926 /nfs/dbraw/zinc/89/69/26/1348896926.db2.gz LGXGPSJXKQZXDN-UHFFFAOYSA-N -1 3 342.362 2.259 20 30 EEEDHM C#Cc1ccc(CNC(=O)c2ccc3c(-c4nn[n-]n4)c[nH]c3c2)cc1 ZINC001588373458 1348896928 /nfs/dbraw/zinc/89/69/28/1348896928.db2.gz LGXGPSJXKQZXDN-UHFFFAOYSA-N -1 3 342.362 2.259 20 30 EEEDHM C#Cc1cccc(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC001588374609 1348898164 /nfs/dbraw/zinc/89/81/64/1348898164.db2.gz DAUQEEPWMPCXOW-UHFFFAOYSA-N -1 3 332.367 2.478 20 30 EEEDHM C#Cc1cccc(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC001588374609 1348898168 /nfs/dbraw/zinc/89/81/68/1348898168.db2.gz DAUQEEPWMPCXOW-UHFFFAOYSA-N -1 3 332.367 2.478 20 30 EEEDHM C#Cc1cncc(C(=O)Nc2sc(C)c(CC)c2-c2nnn[n-]2)c1 ZINC001588380128 1348899031 /nfs/dbraw/zinc/89/90/31/1348899031.db2.gz UNSIWIZLIGSIEY-UHFFFAOYSA-N -1 3 338.396 2.428 20 30 EEEDHM C#Cc1cncc(C(=O)Nc2sc(C)c(CC)c2-c2nn[n-]n2)c1 ZINC001588380128 1348899035 /nfs/dbraw/zinc/89/90/35/1348899035.db2.gz UNSIWIZLIGSIEY-UHFFFAOYSA-N -1 3 338.396 2.428 20 30 EEEDHM C=C(C)COC(=O)C1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001588428835 1348903724 /nfs/dbraw/zinc/90/37/24/1348903724.db2.gz DXSVJDPNSGQMGM-UHFFFAOYSA-N -1 3 345.378 2.342 20 30 EEEDHM C=C(CC)CNC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC001588441398 1348904743 /nfs/dbraw/zinc/90/47/43/1348904743.db2.gz DTFLBESOLFDGJD-UHFFFAOYSA-N -1 3 345.403 2.117 20 30 EEEDHM C=C(CC)CNC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC001588441398 1348904747 /nfs/dbraw/zinc/90/47/47/1348904747.db2.gz DTFLBESOLFDGJD-UHFFFAOYSA-N -1 3 345.403 2.117 20 30 EEEDHM C=C1CCN(C(=O)Nc2cc(C)c(N(C)C)cc2-c2nnn[n-]2)CC1 ZINC001588462458 1348907090 /nfs/dbraw/zinc/90/70/90/1348907090.db2.gz HFXRRSDXJMJUQT-UHFFFAOYSA-N -1 3 341.419 2.425 20 30 EEEDHM C=C1CCN(C(=O)Nc2cc(C)c(N(C)C)cc2-c2nn[n-]n2)CC1 ZINC001588462458 1348907093 /nfs/dbraw/zinc/90/70/93/1348907093.db2.gz HFXRRSDXJMJUQT-UHFFFAOYSA-N -1 3 341.419 2.425 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)N[C@@H](C)CNc1snc(C)c1-c1nnn[n-]1 ZINC001588493332 1348909425 /nfs/dbraw/zinc/90/94/25/1348909425.db2.gz COMXBPCNZKPISX-VFZGTOFNSA-N -1 3 349.464 2.151 20 30 EEEDHM C=C[C@H](CC)CC(=O)N(C)CCCNc1ccc(-c2nnn[n-]2)cn1 ZINC001588518541 1348911832 /nfs/dbraw/zinc/91/18/32/1348911832.db2.gz FYPGBCASXPDCEZ-CYBMUJFWSA-N -1 3 343.435 2.124 20 30 EEEDHM C=C[C@H](CC)CC(=O)N(C)CCCNc1ccc(-c2nn[n-]n2)cn1 ZINC001588518541 1348911836 /nfs/dbraw/zinc/91/18/36/1348911836.db2.gz FYPGBCASXPDCEZ-CYBMUJFWSA-N -1 3 343.435 2.124 20 30 EEEDHM C=C[C@H](CC)CC(=O)N[C@H](C)CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001588520216 1348912505 /nfs/dbraw/zinc/91/25/05/1348912505.db2.gz ADHLOTHNNVVTFF-CHWSQXEVSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@H](CC)CC(=O)N[C@H](C)CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001588520216 1348912509 /nfs/dbraw/zinc/91/25/09/1348912509.db2.gz ADHLOTHNNVVTFF-CHWSQXEVSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCC(C)(C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588539517 1348914794 /nfs/dbraw/zinc/91/47/94/1348914794.db2.gz OINLAOPDLYLMIK-UHFFFAOYSA-N -1 3 331.332 2.420 20 30 EEEDHM C=CCC(C)(C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588539517 1348914796 /nfs/dbraw/zinc/91/47/96/1348914796.db2.gz OINLAOPDLYLMIK-UHFFFAOYSA-N -1 3 331.332 2.420 20 30 EEEDHM C=CC[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)cc2OC)C1 ZINC001588559070 1348916851 /nfs/dbraw/zinc/91/68/51/1348916851.db2.gz HARIJCYWAUQWHJ-LBPRGKRZSA-N -1 3 327.388 2.304 20 30 EEEDHM C=CC[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC001588559070 1348916857 /nfs/dbraw/zinc/91/68/57/1348916857.db2.gz HARIJCYWAUQWHJ-LBPRGKRZSA-N -1 3 327.388 2.304 20 30 EEEDHM C=CCC1(CNC(=O)c2ccc(-c3nnn[n-]3)c(C)n2)CCCC1 ZINC001588557981 1348917091 /nfs/dbraw/zinc/91/70/91/1348917091.db2.gz YHEYTTKGLRGVDI-UHFFFAOYSA-N -1 3 326.404 2.436 20 30 EEEDHM C=CCC1(CNC(=O)c2ccc(-c3nn[n-]n3)c(C)n2)CCCC1 ZINC001588557981 1348917095 /nfs/dbraw/zinc/91/70/95/1348917095.db2.gz YHEYTTKGLRGVDI-UHFFFAOYSA-N -1 3 326.404 2.436 20 30 EEEDHM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001588564710 1348917687 /nfs/dbraw/zinc/91/76/87/1348917687.db2.gz QYYDGNDGWYYDHO-HNNXBMFYSA-N -1 3 339.399 2.315 20 30 EEEDHM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001588564710 1348917689 /nfs/dbraw/zinc/91/76/89/1348917689.db2.gz QYYDGNDGWYYDHO-HNNXBMFYSA-N -1 3 339.399 2.315 20 30 EEEDHM C=CCCCCCCNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588594280 1348922016 /nfs/dbraw/zinc/92/20/16/1348922016.db2.gz RVFGJJNGQDMTOQ-OAHLLOKOSA-N -1 3 329.404 2.153 20 30 EEEDHM C=CCCCCCCNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588594280 1348922019 /nfs/dbraw/zinc/92/20/19/1348922019.db2.gz RVFGJJNGQDMTOQ-OAHLLOKOSA-N -1 3 329.404 2.153 20 30 EEEDHM C=CCCCC(=O)N1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001588588549 1348922082 /nfs/dbraw/zinc/92/20/82/1348922082.db2.gz RKYKSPYWYIBQKJ-UHFFFAOYSA-N -1 3 326.404 2.324 20 30 EEEDHM C=CCCCC(=O)N1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588588549 1348922085 /nfs/dbraw/zinc/92/20/85/1348922085.db2.gz RKYKSPYWYIBQKJ-UHFFFAOYSA-N -1 3 326.404 2.324 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1O[C@H](C)C[C@@H]1C ZINC001588640656 1348926307 /nfs/dbraw/zinc/92/63/07/1348926307.db2.gz WQEMQVCGNOYDJK-WOSRLPQWSA-N -1 3 341.415 2.195 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1O[C@H](C)C[C@@H]1C ZINC001588640656 1348926311 /nfs/dbraw/zinc/92/63/11/1348926311.db2.gz WQEMQVCGNOYDJK-WOSRLPQWSA-N -1 3 341.415 2.195 20 30 EEEDHM C[C@@H](CC#N)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001589786635 1349042088 /nfs/dbraw/zinc/04/20/88/1349042088.db2.gz JKFDKMPUCNWJKK-ZETCQYMHSA-N -1 3 340.265 2.254 20 30 EEEDHM C[C@@H](CC#N)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001589786635 1349042093 /nfs/dbraw/zinc/04/20/93/1349042093.db2.gz JKFDKMPUCNWJKK-ZETCQYMHSA-N -1 3 340.265 2.254 20 30 EEEDHM C[C@H](NCc1c(C#N)cccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC001589966137 1349084011 /nfs/dbraw/zinc/08/40/11/1349084011.db2.gz XRIWUQKIVADCNI-NSHDSACASA-N -1 3 349.354 2.497 20 30 EEEDHM C[C@H](NCc1c(C#N)cccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC001589966137 1349084013 /nfs/dbraw/zinc/08/40/13/1349084013.db2.gz XRIWUQKIVADCNI-NSHDSACASA-N -1 3 349.354 2.497 20 30 EEEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)c1cccc(C#N)c1 ZINC001590020376 1349111540 /nfs/dbraw/zinc/11/15/40/1349111540.db2.gz LSGOCOBPHQKIBI-LBPRGKRZSA-N -1 3 348.366 2.169 20 30 EEEDHM C[C@@]1(C#N)CCCN(C(=O)c2c[nH]c3cccc(-c4nnn[n-]4)c23)C1 ZINC001590054645 1349132950 /nfs/dbraw/zinc/13/29/50/1349132950.db2.gz MOZOHYPAPBYGRM-KRWDZBQOSA-N 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1349580439 /nfs/dbraw/zinc/58/04/39/1349580439.db2.gz FAXGGERJTKJHQO-UHFFFAOYSA-N -1 3 346.398 2.221 20 30 EEEDHM Cc1cc(N2CCC(c3ccc(-c4nn[n-]n4)cn3)CC2)c(C#N)cn1 ZINC001592001836 1349580447 /nfs/dbraw/zinc/58/04/47/1349580447.db2.gz FAXGGERJTKJHQO-UHFFFAOYSA-N -1 3 346.398 2.221 20 30 EEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CCOc1cccc2ccccc21 ZINC001592341263 1349623151 /nfs/dbraw/zinc/62/31/51/1349623151.db2.gz UQWBXGOPNXAASS-UHFFFAOYSA-N -1 3 345.366 2.476 20 30 EEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CCOc1cccc2ccccc21 ZINC001592341263 1349623153 /nfs/dbraw/zinc/62/31/53/1349623153.db2.gz UQWBXGOPNXAASS-UHFFFAOYSA-N -1 3 345.366 2.476 20 30 EEEDHM Cn1c(C(=O)Nc2ccc(C#N)cc2C2CC2)ccc1-c1nnn[n-]1 ZINC001592552869 1349656507 /nfs/dbraw/zinc/65/65/07/1349656507.db2.gz MEYUDNNLOJZVFY-UHFFFAOYSA-N -1 3 333.355 2.207 20 30 EEEDHM Cn1c(C(=O)Nc2ccc(C#N)cc2C2CC2)ccc1-c1nn[n-]n1 ZINC001592552869 1349656510 /nfs/dbraw/zinc/65/65/10/1349656510.db2.gz MEYUDNNLOJZVFY-UHFFFAOYSA-N -1 3 333.355 2.207 20 30 EEEDHM N#Cc1ncn(CC2CCC(C(F)(F)F)CC2)c1-c1nnn[n-]1 ZINC001592709689 1349710029 /nfs/dbraw/zinc/71/00/29/1349710029.db2.gz MBPAJRSEOZNSOM-UHFFFAOYSA-N -1 3 325.298 2.304 20 30 EEEDHM O=C1C(=Cc2ccnn2CC2CC2)Cc2ccc(-c3nnn[n-]3)cc21 ZINC001593380077 1349794821 /nfs/dbraw/zinc/79/48/21/1349794821.db2.gz MNCNRRIPNMFNLZ-RIYZIHGNSA-N -1 3 332.367 2.296 20 30 EEEDHM O=C1C(=Cc2ccnn2CC2CC2)Cc2ccc(-c3nn[n-]n3)cc21 ZINC001593380077 1349794824 /nfs/dbraw/zinc/79/48/24/1349794824.db2.gz MNCNRRIPNMFNLZ-RIYZIHGNSA-N -1 3 332.367 2.296 20 30 EEEDHM O=C1c2ccc(F)cc2OC1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC001593380463 1349795057 /nfs/dbraw/zinc/79/50/57/1349795057.db2.gz QKOKPHAKOHBRJM-NSIKDUERSA-N -1 3 348.297 2.270 20 30 EEEDHM O=C1c2ccc(F)cc2OC1=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC001593380463 1349795064 /nfs/dbraw/zinc/79/50/64/1349795064.db2.gz QKOKPHAKOHBRJM-NSIKDUERSA-N -1 3 348.297 2.270 20 30 EEEDHM N#Cc1ccc([C@H](O)CN2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)cc1 ZINC001601095849 1350208104 /nfs/dbraw/zinc/20/81/04/1350208104.db2.gz FCXJUWQOZOVHSI-BFHYXJOUSA-N -1 3 342.317 2.177 20 30 EEEDHM C=C(C)CN1CCC(NC(=O)NCC2(CC(=O)[O-])CCCC2)CC1 ZINC001602762377 1350583343 /nfs/dbraw/zinc/58/33/43/1350583343.db2.gz JWFHWBBXJQQEEH-UHFFFAOYSA-N -1 3 337.464 2.361 20 30 EEEDHM C=C1CC(C)(C(=O)N2CCO[C@H](c3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001602770424 1350584635 /nfs/dbraw/zinc/58/46/35/1350584635.db2.gz LGQVJBAYGSFRBB-HNNXBMFYSA-N -1 3 339.399 2.123 20 30 EEEDHM C=C1CC(C)(C(=O)N2CCO[C@H](c3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001602770424 1350584640 /nfs/dbraw/zinc/58/46/40/1350584640.db2.gz LGQVJBAYGSFRBB-HNNXBMFYSA-N -1 3 339.399 2.123 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)NC[C@@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001602790145 1350586678 /nfs/dbraw/zinc/58/66/78/1350586678.db2.gz GSMFQWYLEFEBML-SJCJKPOMSA-N -1 3 343.435 2.028 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)NC[C@@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001602790145 1350586682 /nfs/dbraw/zinc/58/66/82/1350586682.db2.gz GSMFQWYLEFEBML-SJCJKPOMSA-N -1 3 343.435 2.028 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)[C@H](C)COC ZINC001602854119 1350596468 /nfs/dbraw/zinc/59/64/68/1350596468.db2.gz USIXYUSFNVTNCM-ZIAGYGMSSA-N -1 3 343.431 2.300 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)[C@H](C)COC ZINC001602854119 1350596469 /nfs/dbraw/zinc/59/64/69/1350596469.db2.gz USIXYUSFNVTNCM-ZIAGYGMSSA-N -1 3 343.431 2.300 20 30 EEEDHM C=CCN(CCOC)c1cc(Br)ccc1-c1nnn[n-]1 ZINC001602852184 1350596552 /nfs/dbraw/zinc/59/65/52/1350596552.db2.gz MAGSXNNYKMCXOV-UHFFFAOYSA-N -1 3 338.209 2.268 20 30 EEEDHM C=CCN(CCOC)c1cc(Br)ccc1-c1nn[n-]n1 ZINC001602852184 1350596555 /nfs/dbraw/zinc/59/65/55/1350596555.db2.gz MAGSXNNYKMCXOV-UHFFFAOYSA-N -1 3 338.209 2.268 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCC1(O)CCC1 ZINC001602853684 1350596734 /nfs/dbraw/zinc/59/67/34/1350596734.db2.gz HRSSFDPTAIUWBJ-UHFFFAOYSA-N -1 3 341.415 2.077 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCC1(O)CCC1 ZINC001602853684 1350596738 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C#C[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(OC)cc32)C1 ZINC001588332696 1348889702 /nfs/dbraw/zinc/88/97/02/1348889702.db2.gz PVZKJOWNGDNERK-LBPRGKRZSA-N -1 3 334.383 2.273 20 30 EEEDHM C#C[C@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccc(OC)cc32)C1 ZINC001588332696 1348889707 /nfs/dbraw/zinc/88/97/07/1348889707.db2.gz PVZKJOWNGDNERK-LBPRGKRZSA-N -1 3 334.383 2.273 20 30 EEEDHM C#C[C@H]1CCCCN1c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC ZINC001588332248 1348889740 /nfs/dbraw/zinc/88/97/40/1348889740.db2.gz HZAZAKWCJKGNDD-HNNXBMFYSA-N -1 3 348.414 2.137 20 30 EEEDHM C#C[C@H]1CCCCN1c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC ZINC001588332248 1348889743 /nfs/dbraw/zinc/88/97/43/1348889743.db2.gz HZAZAKWCJKGNDD-HNNXBMFYSA-N -1 3 348.414 2.137 20 30 EEEDHM C#CCC1(NC(=O)COc2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC001588334753 1348890570 /nfs/dbraw/zinc/89/05/70/1348890570.db2.gz JRAXKMMIWRRPHF-UHFFFAOYSA-N -1 3 339.399 2.088 20 30 EEEDHM C#CCC1(NC(=O)COc2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC001588334753 1348890576 /nfs/dbraw/zinc/89/05/76/1348890576.db2.gz JRAXKMMIWRRPHF-UHFFFAOYSA-N -1 3 339.399 2.088 20 30 EEEDHM C#CC[C@@H](COC)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001588334141 1348890707 /nfs/dbraw/zinc/89/07/07/1348890707.db2.gz PHNPJNBQHMCTSL-JTQLQIEISA-N -1 3 325.294 2.336 20 30 EEEDHM C#Cc1cccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)c1 ZINC001588374835 1348897430 /nfs/dbraw/zinc/89/74/30/1348897430.db2.gz QYAHYSBAYFXQRQ-ZWKOTPCHSA-N -1 3 343.390 2.268 20 30 EEEDHM C#Cc1cccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)c1 ZINC001588374835 1348897435 /nfs/dbraw/zinc/89/74/35/1348897435.db2.gz QYAHYSBAYFXQRQ-ZWKOTPCHSA-N -1 3 343.390 2.268 20 30 EEEDHM C#Cc1ccccc1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001588377238 1348897459 /nfs/dbraw/zinc/89/74/59/1348897459.db2.gz SWJYJOCSWPVSOA-UHFFFAOYSA-N -1 3 333.351 2.038 20 30 EEEDHM C#Cc1ccccc1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001588377238 1348897463 /nfs/dbraw/zinc/89/74/63/1348897463.db2.gz SWJYJOCSWPVSOA-UHFFFAOYSA-N -1 3 333.351 2.038 20 30 EEEDHM C=C(C)C(C)(C)C(=O)NC[C@H](CC)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001588396688 1348900006 /nfs/dbraw/zinc/90/00/06/1348900006.db2.gz NKLCFBMEUDVTCK-LBPRGKRZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C(C)C(C)(C)C(=O)NC[C@H](CC)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001588396688 1348900011 /nfs/dbraw/zinc/90/00/11/1348900011.db2.gz NKLCFBMEUDVTCK-LBPRGKRZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C(C)CCC(=O)NCCCNc1cccc(F)c1-c1nnn[n-]1 ZINC001588417971 1348903167 /nfs/dbraw/zinc/90/31/67/1348903167.db2.gz MLIJDRUANDIAJX-UHFFFAOYSA-N -1 3 332.383 2.280 20 30 EEEDHM C=C(C)CCC(=O)NCCCNc1cccc(F)c1-c1nn[n-]n1 ZINC001588417971 1348903171 /nfs/dbraw/zinc/90/31/71/1348903171.db2.gz MLIJDRUANDIAJX-UHFFFAOYSA-N -1 3 332.383 2.280 20 30 EEEDHM C=C(C)CCC(=O)NCC[C@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588417815 1348903300 /nfs/dbraw/zinc/90/33/00/1348903300.db2.gz HOCRAVXXWRDFPM-JTQLQIEISA-N -1 3 349.464 2.295 20 30 EEEDHM C=C(C)COc1cccc(NC(=O)c2cnccc2-c2nnn[n-]2)c1 ZINC001588429075 1348904313 /nfs/dbraw/zinc/90/43/13/1348904313.db2.gz BJVGAJLBKXLRKY-UHFFFAOYSA-N -1 3 336.355 2.469 20 30 EEEDHM C=C(C)COc1cccc(NC(=O)c2cnccc2-c2nn[n-]n2)c1 ZINC001588429075 1348904315 /nfs/dbraw/zinc/90/43/15/1348904315.db2.gz BJVGAJLBKXLRKY-UHFFFAOYSA-N -1 3 336.355 2.469 20 30 EEEDHM C=C[C@](C)(CCOC)COC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588498885 1348910621 /nfs/dbraw/zinc/91/06/21/1348910621.db2.gz DPXMBYLIKUJGAE-QGZVFWFLSA-N -1 3 330.388 2.181 20 30 EEEDHM C=C[C@](C)(CCOC)COC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588498885 1348910624 /nfs/dbraw/zinc/91/06/24/1348910624.db2.gz DPXMBYLIKUJGAE-QGZVFWFLSA-N -1 3 330.388 2.181 20 30 EEEDHM C=C[C@H](CC)CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588520820 1348912825 /nfs/dbraw/zinc/91/28/25/1348912825.db2.gz FVAYBLYFTXFUNI-CQSZACIVSA-N -1 3 340.431 2.118 20 30 EEEDHM C=CCC(C)(C)C(=O)NCCCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588537948 1348914852 /nfs/dbraw/zinc/91/48/52/1348914852.db2.gz DLNDPKCWJMLWID-UHFFFAOYSA-N -1 3 343.435 2.091 20 30 EEEDHM C=CCC(C)(C)C(=O)NCCCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588537948 1348914853 /nfs/dbraw/zinc/91/48/53/1348914853.db2.gz DLNDPKCWJMLWID-UHFFFAOYSA-N -1 3 343.435 2.091 20 30 EEEDHM C=CCCC(=O)NC[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588572950 1348918828 /nfs/dbraw/zinc/91/88/28/1348918828.db2.gz VPPJSNGJMRQTMA-HAQNSBGRSA-N -1 3 344.394 2.279 20 30 EEEDHM C=CCCC(=O)NC[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588572950 1348918831 /nfs/dbraw/zinc/91/88/31/1348918831.db2.gz VPPJSNGJMRQTMA-HAQNSBGRSA-N -1 3 344.394 2.279 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CC[C@H](OC)C1 ZINC001588638635 1348925416 /nfs/dbraw/zinc/92/54/16/1348925416.db2.gz GECXMLRGFPDGHP-HOTGVXAUSA-N -1 3 341.415 2.196 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CC[C@H](OC)C1 ZINC001588638635 1348925420 /nfs/dbraw/zinc/92/54/20/1348925420.db2.gz GECXMLRGFPDGHP-HOTGVXAUSA-N -1 3 341.415 2.196 20 30 EEEDHM C=CCOCCCC(=O)N1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001588681140 1348929264 /nfs/dbraw/zinc/92/92/64/1348929264.db2.gz JNWHXNWPXRHFLH-UHFFFAOYSA-N -1 3 327.388 2.129 20 30 EEEDHM C=CCOCCCC(=O)N1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001588681140 1348929267 /nfs/dbraw/zinc/92/92/67/1348929267.db2.gz JNWHXNWPXRHFLH-UHFFFAOYSA-N -1 3 327.388 2.129 20 30 EEEDHM C[C@H](C#N)CN(C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1)C1CC1 ZINC001588931165 1348949585 /nfs/dbraw/zinc/94/95/85/1348949585.db2.gz ROVLJOSMYCEEMM-SNVBAGLBSA-N -1 3 346.341 2.109 20 30 EEEDHM C[C@H](C#N)CN(C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1)C1CC1 ZINC001588931165 1348949588 /nfs/dbraw/zinc/94/95/88/1348949588.db2.gz ROVLJOSMYCEEMM-SNVBAGLBSA-N -1 3 346.341 2.109 20 30 EEEDHM CC(C)[C@H](NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001589468264 1348992457 /nfs/dbraw/zinc/99/24/57/1348992457.db2.gz XUIYISYRZXCYGC-CVEARBPZSA-N -1 3 338.415 2.100 20 30 EEEDHM CC(C)C[C@@H](C#N)NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589536631 1349001664 /nfs/dbraw/zinc/00/16/64/1349001664.db2.gz AHNNRMVDNHPVIY-WFASDCNBSA-N -1 3 326.404 2.100 20 30 EEEDHM CC(C)C[C@@H](C#N)NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589536631 1349001668 /nfs/dbraw/zinc/00/16/68/1349001668.db2.gz AHNNRMVDNHPVIY-WFASDCNBSA-N -1 3 326.404 2.100 20 30 EEEDHM CC(C)CN(C(=O)c1cccc(C#N)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589613324 1349011191 /nfs/dbraw/zinc/01/11/91/1349011191.db2.gz UKWRCDTWSRSGGK-UHFFFAOYSA-N -1 3 347.382 2.436 20 30 EEEDHM CC(C)CN(C(=O)c1cccc(C#N)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589613324 1349011196 /nfs/dbraw/zinc/01/11/96/1349011196.db2.gz UKWRCDTWSRSGGK-UHFFFAOYSA-N -1 3 347.382 2.436 20 30 EEEDHM C[C@@H](NC(=O)CNc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589924538 1349062901 /nfs/dbraw/zinc/06/29/01/1349062901.db2.gz YLJDQMJIHITTMP-GFCCVEGCSA-N -1 3 347.382 2.028 20 30 EEEDHM C[C@@H](NC(=O)CNc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589924538 1349062910 /nfs/dbraw/zinc/06/29/10/1349062910.db2.gz YLJDQMJIHITTMP-GFCCVEGCSA-N -1 3 347.382 2.028 20 30 EEEDHM C[C@@H](NC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589937711 1349069345 /nfs/dbraw/zinc/06/93/45/1349069345.db2.gz WBTDMIMTHUYWRI-XUJVJEKNSA-N -1 3 339.403 2.309 20 30 EEEDHM C[C@@H](NC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589937711 1349069350 /nfs/dbraw/zinc/06/93/50/1349069350.db2.gz WBTDMIMTHUYWRI-XUJVJEKNSA-N -1 3 339.403 2.309 20 30 EEEDHM C[C@@H](OC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC001590003561 1349102459 /nfs/dbraw/zinc/10/24/59/1349102459.db2.gz BPRLCLPQFJMRJG-BDJLRTHQSA-N -1 3 349.350 2.076 20 30 EEEDHM C[C@@H](OC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC001590003561 1349102461 /nfs/dbraw/zinc/10/24/61/1349102461.db2.gz BPRLCLPQFJMRJG-BDJLRTHQSA-N -1 3 349.350 2.076 20 30 EEEDHM CCC(C)(C)N(CCC#N)C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001590377538 1349292749 /nfs/dbraw/zinc/29/27/49/1349292749.db2.gz NAKAGUBZIVPEFF-UHFFFAOYSA-N -1 3 342.403 2.176 20 30 EEEDHM CC[C@]1(C)CCN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590490419 1349354973 /nfs/dbraw/zinc/35/49/73/1349354973.db2.gz YAYOKRKVYHGQCI-MAUKXSAKSA-N -1 3 338.415 2.198 20 30 EEEDHM CN(C[C@H](O)c1cccc(-c2nnn[n-]2)c1)[C@@H](C#N)c1ccccc1 ZINC001591053016 1349435316 /nfs/dbraw/zinc/43/53/16/1349435316.db2.gz KSUIREVOUQWXRX-IRXDYDNUSA-N -1 3 334.383 2.097 20 30 EEEDHM CN(C[C@H](O)c1cccc(-c2nn[n-]n2)c1)[C@@H](C#N)c1ccccc1 ZINC001591053016 1349435321 /nfs/dbraw/zinc/43/53/21/1349435321.db2.gz KSUIREVOUQWXRX-IRXDYDNUSA-N -1 3 334.383 2.097 20 30 EEEDHM CN(Cc1nc2ccccc2[nH]1)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001591152810 1349442115 /nfs/dbraw/zinc/44/21/15/1349442115.db2.gz KKJUUPHURQNXKA-UHFFFAOYSA-N -1 3 330.355 2.251 20 30 EEEDHM CN(Cc1nc2ccccc2[nH]1)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001591152810 1349442119 /nfs/dbraw/zinc/44/21/19/1349442119.db2.gz KKJUUPHURQNXKA-UHFFFAOYSA-N -1 3 330.355 2.251 20 30 EEEDHM COC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1C#N ZINC001591301302 1349457225 /nfs/dbraw/zinc/45/72/25/1349457225.db2.gz DVHSYCXOPKDIBB-UHFFFAOYSA-N -1 3 335.323 2.104 20 30 EEEDHM COC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1C#N ZINC001591301302 1349457231 /nfs/dbraw/zinc/45/72/31/1349457231.db2.gz DVHSYCXOPKDIBB-UHFFFAOYSA-N -1 3 335.323 2.104 20 30 EEEDHM COCC(=O)Nc1ccc(Nc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001591367793 1349472981 /nfs/dbraw/zinc/47/29/81/1349472981.db2.gz PMDVVRPGOJDUFP-UHFFFAOYSA-N -1 3 349.354 2.067 20 30 EEEDHM COCC(=O)Nc1ccc(Nc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001591367793 1349472987 /nfs/dbraw/zinc/47/29/87/1349472987.db2.gz PMDVVRPGOJDUFP-UHFFFAOYSA-N -1 3 349.354 2.067 20 30 EEEDHM Cn1ncc2c1CC(C)(C)CN(c1c(C#N)cccc1-c1nnn[n-]1)C2 ZINC001592603137 1349668005 /nfs/dbraw/zinc/66/80/05/1349668005.db2.gz KKFYOGHKYHCDTI-UHFFFAOYSA-N -1 3 348.414 2.061 20 30 EEEDHM Cn1ncc2c1CC(C)(C)CN(c1c(C#N)cccc1-c1nn[n-]n1)C2 ZINC001592603137 1349668007 /nfs/dbraw/zinc/66/80/07/1349668007.db2.gz KKFYOGHKYHCDTI-UHFFFAOYSA-N -1 3 348.414 2.061 20 30 EEEDHM C#CCOc1ccc(NC(=O)c2ccc(C)c(-c3nnn[n-]3)c2)cc1 ZINC001602732208 1350578161 /nfs/dbraw/zinc/57/81/61/1350578161.db2.gz RZANZSSMHQITID-UHFFFAOYSA-N -1 3 333.351 2.439 20 30 EEEDHM C#CCOc1ccc(NC(=O)c2ccc(C)c(-c3nn[n-]n3)c2)cc1 ZINC001602732208 1350578164 /nfs/dbraw/zinc/57/81/64/1350578164.db2.gz RZANZSSMHQITID-UHFFFAOYSA-N -1 3 333.351 2.439 20 30 EEEDHM C#Cc1ccc(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC001602741370 1350578864 /nfs/dbraw/zinc/57/88/64/1350578864.db2.gz IKJIRNJELWKHHS-UHFFFAOYSA-N -1 3 348.366 2.178 20 30 EEEDHM C#Cc1ccc(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC001602741370 1350578869 /nfs/dbraw/zinc/57/88/69/1350578869.db2.gz IKJIRNJELWKHHS-UHFFFAOYSA-N -1 3 348.366 2.178 20 30 EEEDHM C=C[C@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001602799627 1350587536 /nfs/dbraw/zinc/58/75/36/1350587536.db2.gz DTAHYGJJGBLRRY-CYBMUJFWSA-N -1 3 334.383 2.238 20 30 EEEDHM C=C[C@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001602799627 1350587537 /nfs/dbraw/zinc/58/75/37/1350587537.db2.gz DTAHYGJJGBLRRY-CYBMUJFWSA-N -1 3 334.383 2.238 20 30 EEEDHM C=CCC1(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)CCOCC1 ZINC001602818802 1350590983 /nfs/dbraw/zinc/59/09/83/1350590983.db2.gz WRSFMGLJXHOIIM-UHFFFAOYSA-N -1 3 346.362 2.422 20 30 EEEDHM C=CCC1(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)CCOCC1 ZINC001602818802 1350590986 /nfs/dbraw/zinc/59/09/86/1350590986.db2.gz WRSFMGLJXHOIIM-UHFFFAOYSA-N -1 3 346.362 2.422 20 30 EEEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H](CC#N)C1CC1 ZINC001603176078 1350656464 /nfs/dbraw/zinc/65/64/64/1350656464.db2.gz CYXDYCXAUMEYMP-CQSZACIVSA-N -1 3 341.371 2.260 20 30 EEEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H](CC#N)C1CC1 ZINC001603176078 1350656470 /nfs/dbraw/zinc/65/64/70/1350656470.db2.gz CYXDYCXAUMEYMP-CQSZACIVSA-N -1 3 341.371 2.260 20 30 EEEDHM CC(C)CN(C(=O)CSCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001603288221 1350679728 /nfs/dbraw/zinc/67/97/28/1350679728.db2.gz ORYTZPZNBNXWJZ-UHFFFAOYSA-N -1 3 330.417 2.112 20 30 EEEDHM CC(C)CN(C(=O)CSCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001603288221 1350679731 /nfs/dbraw/zinc/67/97/31/1350679731.db2.gz ORYTZPZNBNXWJZ-UHFFFAOYSA-N -1 3 330.417 2.112 20 30 EEEDHM C[C@H](NC(=O)N(C)CC(C)(C)C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001603621770 1350729914 /nfs/dbraw/zinc/72/99/14/1350729914.db2.gz HVVVHIFVDQQHAK-NSHDSACASA-N -1 3 327.392 2.119 20 30 EEEDHM C[C@H](NC(=O)N(C)CC(C)(C)C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001603621770 1350729917 /nfs/dbraw/zinc/72/99/17/1350729917.db2.gz HVVVHIFVDQQHAK-NSHDSACASA-N -1 3 327.392 2.119 20 30 EEEDHM CC1(C)CO[C@@H](CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC001603789989 1350768206 /nfs/dbraw/zinc/76/82/06/1350768206.db2.gz WTYRNNQWKUVRDV-ZDUSSCGKSA-N -1 3 340.387 2.272 20 30 EEEDHM CC1(C)CO[C@@H](CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC001603789989 1350768208 /nfs/dbraw/zinc/76/82/08/1350768208.db2.gz WTYRNNQWKUVRDV-ZDUSSCGKSA-N -1 3 340.387 2.272 20 30 EEEDHM CC[C@H](CC#N)NCc1cc(-c2nnn[n-]2)ccc1Br ZINC001604013903 1350830286 /nfs/dbraw/zinc/83/02/86/1350830286.db2.gz PHNJAIQCHKXBIZ-LLVKDONJSA-N -1 3 335.209 2.411 20 30 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O=[N+]([O-])c1cc(C=N[N-]S(=O)(=O)Cc2ccccc2)cs1 ZINC000920383279 770689082 /nfs/dbraw/zinc/68/90/82/770689082.db2.gz CMYWNRSNJBRMAU-UHFFFAOYSA-N -1 3 325.371 2.110 20 30 EEEDHM C[C@@H]1CCc2[nH]c3ccc(C(=O)N[C@H]4CCCN([O-])C4=O)cc3c2C1 ZINC000816754763 784242989 /nfs/dbraw/zinc/24/29/89/784242989.db2.gz LGKRPVAWHFUQGX-DIFFPNOSSA-N -1 3 341.411 2.403 20 30 EEEDHM Cc1ccnc(Oc2ccc(C(=O)N[C@@H]3CCCN([O-])C3=O)cc2)c1 ZINC000908402864 785386029 /nfs/dbraw/zinc/38/60/29/785386029.db2.gz JVZQJRXJYPUCFI-OAHLLOKOSA-N -1 3 341.367 2.292 20 30 EEEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1c(Cl)cccc1C(F)(F)F ZINC000908406898 785388272 /nfs/dbraw/zinc/38/82/72/785388272.db2.gz TXZOPOYRBRLEOY-SECBINFHSA-N -1 3 336.697 2.469 20 30 EEEDHM C=CCN(CC(=O)[O-])C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000908801571 785735599 /nfs/dbraw/zinc/73/55/99/785735599.db2.gz AHNQMHMHHPJVOI-AWEZNQCLSA-N -1 3 339.461 2.413 20 30 EEEDHM COc1ccccc1C1(C(=O)N[C@H]2CCN([O-])C2=O)CCCCC1 ZINC000820137397 785804843 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2.305 20 30 EEEDHM C=CC[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC001588564040 1348917842 /nfs/dbraw/zinc/91/78/42/1348917842.db2.gz IFLQLGFPXDOVQM-NSHDSACASA-N -1 3 328.376 2.305 20 30 EEEDHM C=CCCCC(=O)N1C[C@H](Nc2ncccc2-c2nnn[n-]2)C[C@H]1C ZINC001588582702 1348920922 /nfs/dbraw/zinc/92/09/22/1348920922.db2.gz NUAOJJDWONYSAL-CHWSQXEVSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCCC(=O)N1C[C@H](Nc2ncccc2-c2nn[n-]n2)C[C@H]1C ZINC001588582702 1348920924 /nfs/dbraw/zinc/92/09/24/1348920924.db2.gz NUAOJJDWONYSAL-CHWSQXEVSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCC[C@H](C)NS(=O)(=O)c1ccc(C)cc1-c1nnn[n-]1 ZINC001588594672 1348921966 /nfs/dbraw/zinc/92/19/66/1348921966.db2.gz QVOOOQQOSVYTIY-LBPRGKRZSA-N -1 3 335.433 2.198 20 30 EEEDHM C=CCCC[C@H](C)NS(=O)(=O)c1ccc(C)cc1-c1nn[n-]n1 ZINC001588594672 1348921970 /nfs/dbraw/zinc/92/19/70/1348921970.db2.gz QVOOOQQOSVYTIY-LBPRGKRZSA-N -1 3 335.433 2.198 20 30 EEEDHM C=CCCCCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001588596101 1348922131 /nfs/dbraw/zinc/92/21/31/1348922131.db2.gz HWBLBIRYBKZBPB-MRXNPFEDSA-N -1 3 340.431 2.308 20 30 EEEDHM C=CCCO[C@H](C)C(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588608984 1348922938 /nfs/dbraw/zinc/92/29/38/1348922938.db2.gz GYNDOCXVZVSYJO-CHWSQXEVSA-N -1 3 329.404 2.367 20 30 EEEDHM C=CCCO[C@H](C)C(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588608984 1348922943 /nfs/dbraw/zinc/92/29/43/1348922943.db2.gz GYNDOCXVZVSYJO-CHWSQXEVSA-N -1 3 329.404 2.367 20 30 EEEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC001588718316 1348930786 /nfs/dbraw/zinc/93/07/86/1348930786.db2.gz HVZKMELLEVVDMB-OCCSQVGLSA-N -1 3 328.376 2.030 20 30 EEEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001588718316 1348930789 /nfs/dbraw/zinc/93/07/89/1348930789.db2.gz HVZKMELLEVVDMB-OCCSQVGLSA-N -1 3 328.376 2.030 20 30 EEEDHM CC(C)(C#N)CNCc1cc(-c2nnn[n-]2)ccc1Br ZINC001589036009 1348954118 /nfs/dbraw/zinc/95/41/18/1348954118.db2.gz IQEUMWYTAFBPRC-UHFFFAOYSA-N -1 3 335.209 2.269 20 30 EEEDHM CC(C)(C#N)CNCc1cc(-c2nn[n-]n2)ccc1Br ZINC001589036009 1348954119 /nfs/dbraw/zinc/95/41/19/1348954119.db2.gz IQEUMWYTAFBPRC-UHFFFAOYSA-N -1 3 335.209 2.269 20 30 EEEDHM CC(C)(C)[C@H](C#N)NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001589340768 1348985282 /nfs/dbraw/zinc/98/52/82/1348985282.db2.gz UCZZTEHUNZFTFJ-ZDUSSCGKSA-N -1 3 342.403 2.079 20 30 EEEDHM CC(C)(C)[C@H](C#N)NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001589340768 1348985284 /nfs/dbraw/zinc/98/52/84/1348985284.db2.gz UCZZTEHUNZFTFJ-ZDUSSCGKSA-N -1 3 342.403 2.079 20 30 EEEDHM C[C@]1(C#N)CCN(c2cc(Br)ccc2-c2nnn[n-]2)C1 ZINC001590056820 1349134621 /nfs/dbraw/zinc/13/46/21/1349134621.db2.gz TZBAULZURAVNNG-CYBMUJFWSA-N -1 3 333.193 2.369 20 30 EEEDHM C[C@]1(C#N)CCN(c2cc(Br)ccc2-c2nn[n-]n2)C1 ZINC001590056820 1349134626 /nfs/dbraw/zinc/13/46/26/1349134626.db2.gz TZBAULZURAVNNG-CYBMUJFWSA-N -1 3 333.193 2.369 20 30 EEEDHM C[C@@H]1CCCN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)[C@H]1C ZINC001590256501 1349233365 /nfs/dbraw/zinc/23/33/65/1349233365.db2.gz FRWLBZZYWSXCSD-WWGRRREGSA-N -1 3 338.415 2.196 20 30 EEEDHM CCC(N=Nc1ccc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590359284 1349282992 /nfs/dbraw/zinc/28/29/92/1349282992.db2.gz YCJVMGAKKXJOGP-UHFFFAOYSA-N -1 3 338.331 2.396 20 30 EEEDHM CCC(N=Nc1ccc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590359284 1349282998 /nfs/dbraw/zinc/28/29/98/1349282998.db2.gz YCJVMGAKKXJOGP-UHFFFAOYSA-N -1 3 338.331 2.396 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)cc(N(C)CCOCc2ccc(C#N)cc2)n1 ZINC001591855308 1349544870 /nfs/dbraw/zinc/54/48/70/1349544870.db2.gz UIYPNHAKUWRQMB-UHFFFAOYSA-N -1 3 349.398 2.095 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)cc(N(C)CCOCc2ccc(C#N)cc2)n1 ZINC001591855308 1349544881 /nfs/dbraw/zinc/54/48/81/1349544881.db2.gz UIYPNHAKUWRQMB-UHFFFAOYSA-N -1 3 349.398 2.095 20 30 EEEDHM Cc1ccc(C(=O)Nc2cccc(OCC#N)c2)cc1-c1nnn[n-]1 ZINC001592130665 1349594577 /nfs/dbraw/zinc/59/45/77/1349594577.db2.gz QXNLXQBOIQXMBF-UHFFFAOYSA-N -1 3 334.339 2.330 20 30 EEEDHM Cc1ccc(C(=O)Nc2cccc(OCC#N)c2)cc1-c1nn[n-]n1 ZINC001592130665 1349594589 /nfs/dbraw/zinc/59/45/89/1349594589.db2.gz QXNLXQBOIQXMBF-UHFFFAOYSA-N -1 3 334.339 2.330 20 30 EEEDHM Cc1cncc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC001592298719 1349617798 /nfs/dbraw/zinc/61/77/98/1349617798.db2.gz IXAHCXCELYDJDM-UHFFFAOYSA-N -1 3 333.355 2.013 20 30 EEEDHM Cc1cncc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC001592298719 1349617799 /nfs/dbraw/zinc/61/77/99/1349617799.db2.gz IXAHCXCELYDJDM-UHFFFAOYSA-N -1 3 333.355 2.013 20 30 EEEDHM Cc1nn(C)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001592435272 1349631808 /nfs/dbraw/zinc/63/18/08/1349631808.db2.gz NIQWBNCJHGCQIC-XQRVVYSFSA-N -1 3 328.763 2.458 20 30 EEEDHM Cc1nn(C)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001592435272 1349631809 /nfs/dbraw/zinc/63/18/09/1349631809.db2.gz NIQWBNCJHGCQIC-XQRVVYSFSA-N -1 3 328.763 2.458 20 30 EEEDHM Cn1cc(C=CC(=O)c2cc(-c3nnn[n-]3)ccn2)c(C(C)(C)C)n1 ZINC001592567497 1349659955 /nfs/dbraw/zinc/65/99/55/1349659955.db2.gz ZQXDHISLEWHRRD-WAYWQWQTSA-N -1 3 337.387 2.189 20 30 EEEDHM Cn1cc(C=CC(=O)c2cc(-c3nn[n-]n3)ccn2)c(C(C)(C)C)n1 ZINC001592567497 1349659957 /nfs/dbraw/zinc/65/99/57/1349659957.db2.gz ZQXDHISLEWHRRD-WAYWQWQTSA-N -1 3 337.387 2.189 20 30 EEEDHM N#Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)o1 ZINC001592690529 1349706170 /nfs/dbraw/zinc/70/61/70/1349706170.db2.gz CDZZZFSLEBMEBR-UHFFFAOYSA-N -1 3 331.295 2.132 20 30 EEEDHM N#Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)o1 ZINC001592690529 1349706173 /nfs/dbraw/zinc/70/61/73/1349706173.db2.gz CDZZZFSLEBMEBR-UHFFFAOYSA-N -1 3 331.295 2.132 20 30 EEEDHM Cc1cc(C#N)cc(C)c1CN1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001600074650 1349966070 /nfs/dbraw/zinc/96/60/70/1349966070.db2.gz NOPYKHBTOZRTLC-OAHLLOKOSA-N -1 3 339.399 2.302 20 30 EEEDHM N#CC(C(=O)Nc1ccccc1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC001601046689 1350196941 /nfs/dbraw/zinc/19/69/41/1350196941.db2.gz AHCZLOZCEFOTNU-ZDUSSCGKSA-N -1 3 326.283 2.485 20 30 EEEDHM N#Cc1ccc(CN2CCCN(Cc3ccc(C(=O)[O-])[nH]3)CC2)cc1 ZINC001601101124 1350210036 /nfs/dbraw/zinc/21/00/36/1350210036.db2.gz ZBSNYQQCGGUFGB-UHFFFAOYSA-N -1 3 338.411 2.292 20 30 EEEDHM C#C[C@@H](NC(=O)C(F)(F)c1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC001602688476 1350573550 /nfs/dbraw/zinc/57/35/50/1350573550.db2.gz KHOLSGADTULCPZ-GFCCVEGCSA-N -1 3 333.342 2.123 20 30 EEEDHM C#C[C@@H](NC(=O)C(F)(F)c1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC001602688476 1350573555 /nfs/dbraw/zinc/57/35/55/1350573555.db2.gz KHOLSGADTULCPZ-GFCCVEGCSA-N -1 3 333.342 2.123 20 30 EEEDHM C#CC[C@H](CCOC)Nc1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001602696883 1350574688 /nfs/dbraw/zinc/57/46/88/1350574688.db2.gz HAUOYMXTNHGHGT-GFCCVEGCSA-N -1 3 328.420 2.400 20 30 EEEDHM C#CC[C@H](CCOC)Nc1nc(C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001602696883 1350574689 /nfs/dbraw/zinc/57/46/89/1350574689.db2.gz HAUOYMXTNHGHGT-GFCCVEGCSA-N -1 3 328.420 2.400 20 30 EEEDHM C#CCOc1ccccc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC001602732568 1350578233 /nfs/dbraw/zinc/57/82/33/1350578233.db2.gz AQGAFNKHLAHWPQ-UHFFFAOYSA-N -1 3 335.367 2.370 20 30 EEEDHM C#CCOc1ccccc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC001602732568 1350578238 /nfs/dbraw/zinc/57/82/38/1350578238.db2.gz AQGAFNKHLAHWPQ-UHFFFAOYSA-N -1 3 335.367 2.370 20 30 EEEDHM C#Cc1ccc(CNC(=O)NCc2ccc(C)c(-c3nnn[n-]3)c2)cc1 ZINC001602741246 1350578985 /nfs/dbraw/zinc/57/89/85/1350578985.db2.gz BIFRYAXZPQPWJJ-UHFFFAOYSA-N -1 3 346.394 2.156 20 30 EEEDHM C#Cc1ccc(CNC(=O)NCc2ccc(C)c(-c3nn[n-]n3)c2)cc1 ZINC001602741246 1350578987 /nfs/dbraw/zinc/57/89/87/1350578987.db2.gz BIFRYAXZPQPWJJ-UHFFFAOYSA-N -1 3 346.394 2.156 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNc1cc(C(C)=O)ccc1-c1nnn[n-]1 ZINC001602753308 1350581748 /nfs/dbraw/zinc/58/17/48/1350581748.db2.gz NRYQAZDWGWESQY-XJKSGUPXSA-N -1 3 327.388 2.462 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNc1cc(C(C)=O)ccc1-c1nn[n-]n1 ZINC001602753308 1350581751 /nfs/dbraw/zinc/58/17/51/1350581751.db2.gz NRYQAZDWGWESQY-XJKSGUPXSA-N -1 3 327.388 2.462 20 30 EEEDHM C=CCOCCOc1ccc(Br)cc1-c1nnn[n-]1 ZINC001602870807 1350599103 /nfs/dbraw/zinc/59/91/03/1350599103.db2.gz OTHKZLIWPVSXQN-UHFFFAOYSA-N -1 3 325.166 2.211 20 30 EEEDHM C=CCOCCOc1ccc(Br)cc1-c1nn[n-]n1 ZINC001602870807 1350599105 /nfs/dbraw/zinc/59/91/05/1350599105.db2.gz OTHKZLIWPVSXQN-UHFFFAOYSA-N -1 3 325.166 2.211 20 30 EEEDHM C=C[C@](C)(CC)C(=O)NC[C@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001602790146 1350586797 /nfs/dbraw/zinc/58/67/97/1350586797.db2.gz GSMFQWYLEFEBML-SJKOYZFVSA-N -1 3 343.435 2.028 20 30 EEEDHM C=C[C@](C)(CC)C(=O)NC[C@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001602790146 1350586802 /nfs/dbraw/zinc/58/68/02/1350586802.db2.gz GSMFQWYLEFEBML-SJKOYZFVSA-N -1 3 343.435 2.028 20 30 EEEDHM C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001602788894 1350587034 /nfs/dbraw/zinc/58/70/34/1350587034.db2.gz PSMWZNZAJDRBEO-HIFRSBDPSA-N -1 3 336.819 2.391 20 30 EEEDHM C=C[C@@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001602799628 1350587660 /nfs/dbraw/zinc/58/76/60/1350587660.db2.gz DTAHYGJJGBLRRY-ZDUSSCGKSA-N -1 3 334.383 2.238 20 30 EEEDHM C=C[C@@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001602799628 1350587666 /nfs/dbraw/zinc/58/76/66/1350587666.db2.gz DTAHYGJJGBLRRY-ZDUSSCGKSA-N -1 3 334.383 2.238 20 30 EEEDHM C=C[C@H](COC)Nc1cc(Br)c(-c2nnn[n-]2)cc1F ZINC001602803187 1350588118 /nfs/dbraw/zinc/58/81/18/1350588118.db2.gz IRVCJJDHGJJEMW-SSDOTTSWSA-N -1 3 342.172 2.381 20 30 EEEDHM C=C[C@H](COC)Nc1cc(Br)c(-c2nn[n-]n2)cc1F ZINC001602803187 1350588119 /nfs/dbraw/zinc/58/81/19/1350588119.db2.gz IRVCJJDHGJJEMW-SSDOTTSWSA-N -1 3 342.172 2.381 20 30 EEEDHM C=C[C@H](C(=O)[O-])N1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1 ZINC001602803433 1350588776 /nfs/dbraw/zinc/58/87/76/1350588776.db2.gz CIHOHSYAVJPKTI-GFCCVEGCSA-N -1 3 338.473 2.449 20 30 EEEDHM C=C[C@H](CC)CC(=O)N[C@@H](C)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001602803294 1350588787 /nfs/dbraw/zinc/58/87/87/1350588787.db2.gz KKEQNXJMYCJSDV-QWHCGFSZSA-N -1 3 343.435 2.089 20 30 EEEDHM C=C[C@H](CC)CC(=O)N[C@@H](C)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001602803294 1350588788 /nfs/dbraw/zinc/58/87/88/1350588788.db2.gz KKEQNXJMYCJSDV-QWHCGFSZSA-N -1 3 343.435 2.089 20 30 EEEDHM C=CCSCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC001602871646 1350598837 /nfs/dbraw/zinc/59/88/37/1350598837.db2.gz YACCGVHIZDBBLP-UHFFFAOYSA-N -1 3 348.432 2.306 20 30 EEEDHM C=CCSCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC001602871646 1350598842 /nfs/dbraw/zinc/59/88/42/1350598842.db2.gz YACCGVHIZDBBLP-UHFFFAOYSA-N -1 3 348.432 2.306 20 30 EEEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@H]2CCC[C@H]21 ZINC001602876031 1350599384 /nfs/dbraw/zinc/59/93/84/1350599384.db2.gz PFDCTEBKMAVWHR-HUUCEWRRSA-N -1 3 348.414 2.300 20 30 EEEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@H]2CCC[C@H]21 ZINC001602876031 1350599388 /nfs/dbraw/zinc/59/93/88/1350599388.db2.gz PFDCTEBKMAVWHR-HUUCEWRRSA-N -1 3 348.414 2.300 20 30 EEEDHM C[C@H](C#N)CN(C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F)C1CC1 ZINC001602984088 1350618250 /nfs/dbraw/zinc/61/82/50/1350618250.db2.gz RSMQFIUECZUJCA-MRVPVSSYSA-N -1 3 347.329 2.301 20 30 EEEDHM C[C@H](C#N)CN(C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F)C1CC1 ZINC001602984088 1350618254 /nfs/dbraw/zinc/61/82/54/1350618254.db2.gz RSMQFIUECZUJCA-MRVPVSSYSA-N -1 3 347.329 2.301 20 30 EEEDHM C[C@H](C#N)CNc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001602988500 1350619106 /nfs/dbraw/zinc/61/91/06/1350619106.db2.gz GIRMQOWWMYGJHL-LLVKDONJSA-N -1 3 336.403 2.364 20 30 EEEDHM C[C@H](C#N)CNc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001602988500 1350619111 /nfs/dbraw/zinc/61/91/11/1350619111.db2.gz GIRMQOWWMYGJHL-LLVKDONJSA-N -1 3 336.403 2.364 20 30 EEEDHM C[C@H](C#N)OCCSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001602988834 1350619223 /nfs/dbraw/zinc/61/92/23/1350619223.db2.gz KMTKMJXPNAMNKP-GFCCVEGCSA-N -1 3 333.417 2.297 20 30 EEEDHM C[C@H](C#N)OCCSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001602988834 1350619227 /nfs/dbraw/zinc/61/92/27/1350619227.db2.gz KMTKMJXPNAMNKP-GFCCVEGCSA-N -1 3 333.417 2.297 20 30 EEEDHM 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CCC[C@@H](C#N)NC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000825225150 608843417 /nfs/dbraw/zinc/84/34/17/608843417.db2.gz MTJCHZJVIDLPMV-WFASDCNBSA-N -1 3 342.403 2.079 20 30 EEEDHM CCC[C@@H](C#N)NC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000825225150 608843419 /nfs/dbraw/zinc/84/34/19/608843419.db2.gz MTJCHZJVIDLPMV-WFASDCNBSA-N -1 3 342.403 2.079 20 30 EEEDHM C=C(C)CN(C)[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823873089 609370028 /nfs/dbraw/zinc/37/00/28/609370028.db2.gz IBSXKARDYFPJNT-JTQLQIEISA-N -1 3 334.811 2.355 20 30 EEEDHM N#Cc1cc(Br)cnc1N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000894373183 682688657 /nfs/dbraw/zinc/68/86/57/682688657.db2.gz QFHDFNNSAXBARC-QMMMGPOBSA-N -1 3 334.177 2.138 20 30 EEEDHM CC(C)(C)C#CC(=O)NCC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059187195 683133516 /nfs/dbraw/zinc/13/35/16/683133516.db2.gz ABEYZDILBHPHOC-HNNXBMFYSA-N -1 3 342.439 2.410 20 30 EEEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC000914329512 683500676 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C=CCN1CCC2(CCN(C(=O)c3c(C)cccc3[O-])CC2)C1=O ZINC001271652696 1186356083 /nfs/dbraw/zinc/35/60/83/1186356083.db2.gz KCKOMGCJPUKSGU-UHFFFAOYSA-N -1 3 328.412 2.341 20 30 EEEDHM C=CCN1CC[C@]2(CCCN2C(=O)c2cc(CC)ccc2[O-])C1=O ZINC001272210884 1188309363 /nfs/dbraw/zinc/30/93/63/1188309363.db2.gz PTHGMJLWHUIOPO-LJQANCHMSA-N -1 3 328.412 2.348 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCNC(=O)c1cccc2n[n-]nc21 ZINC001076661853 1189082466 /nfs/dbraw/zinc/08/24/66/1189082466.db2.gz NZGYAVXAMMHFHD-SGTLLEGYSA-N -1 3 343.431 2.185 20 30 EEEDHM C#CCNC(=O)[C@@H]1CC12CCN(C(=O)c1cc([O-])cc(Cl)c1)CC2 ZINC001272998627 1194305997 /nfs/dbraw/zinc/30/59/97/1194305997.db2.gz FFFRJAFTFZKALI-HNNXBMFYSA-N -1 3 346.814 2.037 20 30 EEEDHM O=C(Cn1c(=O)oc2ccccc21)Nc1nnc(C(F)(F)F)[n-]1 ZINC000026254906 1199631784 /nfs/dbraw/zinc/63/17/84/1199631784.db2.gz XHWGMBZAGSLFBV-UHFFFAOYSA-N -1 3 327.222 2.020 20 30 EEEDHM O=C(Cn1c(=O)oc2ccccc21)Nc1nc(C(F)(F)F)n[n-]1 ZINC000026254906 1199631786 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N#Cc1ccc(N2CCC[C@H](OC(=O)c3cncc([O-])c3)C2=O)cc1 ZINC000778801168 1208358682 /nfs/dbraw/zinc/35/86/82/1208358682.db2.gz VTWWLGZRBZLSFG-INIZCTEOSA-N -1 3 337.335 2.011 20 30 EEEDHM N#Cc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccccc2[O-])s1 ZINC000958280178 1215643605 /nfs/dbraw/zinc/64/36/05/1215643605.db2.gz WXMHAFPFCVLDPU-QLPKVWCKSA-N -1 3 339.420 2.186 20 30 EEEDHM C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC000959542554 1215955407 /nfs/dbraw/zinc/95/54/07/1215955407.db2.gz OQTVWAGFJGIHRC-UONOGXRCSA-N -1 3 330.428 2.429 20 30 EEEDHM C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000967275532 1220371074 /nfs/dbraw/zinc/37/10/74/1220371074.db2.gz XNCFTPGWUZSKIO-GUYCJALGSA-N -1 3 325.412 2.154 20 30 EEEDHM CC#CCN1CC[C@H]2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)C[C@@H]21 ZINC001042143222 1231916339 /nfs/dbraw/zinc/91/63/39/1231916339.db2.gz RNZCDDLEQIDTHS-KXBFYZLASA-N -1 3 349.434 2.088 20 30 EEEDHM CS(=O)(=O)Cc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901375192 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HNXPDQOJISMTHJ-VIFPVBQESA-N -1 3 332.223 2.061 20 30 EEEDHM C=CCC(F)(F)C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000854456644 1292791002 /nfs/dbraw/zinc/79/10/02/1292791002.db2.gz WEINBINBIYNAFT-ZJUUUORDSA-N -1 3 327.331 2.078 20 30 EEEDHM CC(C)N(CCCNC(=O)c1ccccc1[O-])c1cnc(C#N)cn1 ZINC001102089533 1300280099 /nfs/dbraw/zinc/28/00/99/1300280099.db2.gz QSLKVFPSEZQFJL-UHFFFAOYSA-N -1 3 339.399 2.089 20 30 EEEDHM C#C[C@@H](Oc1c(O)c([O-])ccc1C(=O)c1ccccc1)C(=O)OCC ZINC001227940545 1302017818 /nfs/dbraw/zinc/01/78/18/1302017818.db2.gz LWHYUVBHYKGCKL-OAHLLOKOSA-N -1 3 340.331 2.273 20 30 EEEDHM CN1[C@@H]2C[C@@H](Oc3cccc([O-])c3Br)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229143331 1302640241 /nfs/dbraw/zinc/64/02/41/1302640241.db2.gz VMCUDVRRMHASTO-KLXOBDOZSA-N -1 3 326.190 2.146 20 30 EEEDHM CCOC[C@@H]1CN(Cc2ccc(C#N)cc2[O-])Cc2c1cnn2C ZINC001233384342 1304450739 /nfs/dbraw/zinc/45/07/39/1304450739.db2.gz RVCXUCUUVROZRW-HNNXBMFYSA-N -1 3 326.400 2.133 20 30 EEEDHM CCOC[C@H]1CN(Cc2ccc(C#N)cc2[O-])Cc2c1cnn2C ZINC001233384343 1304451741 /nfs/dbraw/zinc/45/17/41/1304451741.db2.gz RVCXUCUUVROZRW-OAHLLOKOSA-N -1 3 326.400 2.133 20 30 EEEDHM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(CN2CCCCC2)o1 ZINC001122442280 1310286277 /nfs/dbraw/zinc/28/62/77/1310286277.db2.gz LQSVKBHIAXEVHT-HNNXBMFYSA-N -1 3 329.400 2.210 20 30 EEEDHM C=C(C)C(=O)OCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001257284483 1318975953 /nfs/dbraw/zinc/97/59/53/1318975953.db2.gz ISOMNPRLWWOYOW-UHFFFAOYSA-N -1 3 338.212 2.391 20 30 EEEDHM N#Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)nnc2Cl)c1 ZINC001259117791 1319447733 /nfs/dbraw/zinc/44/77/33/1319447733.db2.gz GWSZJZGHWLDBNW-UHFFFAOYSA-N -1 3 329.168 2.456 20 30 EEEDHM C=CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1)[C@@H](C)CC ZINC001259255705 1319499222 /nfs/dbraw/zinc/49/92/22/1319499222.db2.gz SXQOOTOPXBTSQI-WFASDCNBSA-N -1 3 343.420 2.389 20 30 EEEDHM C#CCN(CC)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1[C@@H]1C[C@H]1C ZINC001602717803 1350576705 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EEEDHM Cc1c(C#N)cccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001609379906 1351952001 /nfs/dbraw/zinc/95/20/01/1351952001.db2.gz XGCUMQRFQAXSSV-UHFFFAOYSA-N -1 3 336.330 2.116 20 30 EEEDHM Cc1c(C#N)cccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001609379906 1351952005 /nfs/dbraw/zinc/95/20/05/1351952005.db2.gz XGCUMQRFQAXSSV-UHFFFAOYSA-N -1 3 336.330 2.116 20 30 EEEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CNc1ccc(C#N)cc1 ZINC001609416035 1351967170 /nfs/dbraw/zinc/96/71/70/1351967170.db2.gz YWELHWYDMDHWMG-UHFFFAOYSA-N -1 3 333.355 2.097 20 30 EEEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CNc1ccc(C#N)cc1 ZINC001609416035 1351967173 /nfs/dbraw/zinc/96/71/73/1351967173.db2.gz YWELHWYDMDHWMG-UHFFFAOYSA-N -1 3 333.355 2.097 20 30 EEEDHM Cc1ccc(C(=O)N(CCC#N)Cc2ccccn2)cc1-c1nnn[n-]1 ZINC001609417827 1351968100 /nfs/dbraw/zinc/96/81/00/1351968100.db2.gz LUNDSFRLSGAFMZ-UHFFFAOYSA-N -1 3 347.382 2.126 20 30 EEEDHM Cc1ccc(C(=O)N(CCC#N)Cc2ccccn2)cc1-c1nn[n-]n1 ZINC001609417827 1351968103 /nfs/dbraw/zinc/96/81/03/1351968103.db2.gz 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EEEDHM C#C[C@@H]1CCCCN1C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C ZINC001588332922 1348890758 /nfs/dbraw/zinc/89/07/58/1348890758.db2.gz WEQTZYXNVIQTBR-LLVKDONJSA-N -1 3 328.351 2.334 20 30 EEEDHM C#C[C@@H]1CCCCN1C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C ZINC001588332922 1348890764 /nfs/dbraw/zinc/89/07/64/1348890764.db2.gz WEQTZYXNVIQTBR-LLVKDONJSA-N -1 3 328.351 2.334 20 30 EEEDHM C#CCCCCCOC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001588345624 1348892573 /nfs/dbraw/zinc/89/25/73/1348892573.db2.gz GZGQDZWTJHINAK-UHFFFAOYSA-N -1 3 327.388 2.283 20 30 EEEDHM C#CCCCCCOC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001588345624 1348892579 /nfs/dbraw/zinc/89/25/79/1348892579.db2.gz GZGQDZWTJHINAK-UHFFFAOYSA-N -1 3 327.388 2.283 20 30 EEEDHM C#C[C@H]1CC[C@H](NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588365049 1348896966 /nfs/dbraw/zinc/89/69/66/1348896966.db2.gz NFVFZIHIERZWIW-MQMHXKEQSA-N -1 3 341.440 2.267 20 30 EEEDHM C#C[C@H]1CC[C@H](NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588365049 1348896968 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EEEDHM CC#CCCCC(=O)N1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588737352 1348930982 /nfs/dbraw/zinc/93/09/82/1348930982.db2.gz LCPQFMVFRUETKC-UHFFFAOYSA-N -1 3 338.415 2.161 20 30 EEEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C ZINC001588718581 1348931263 /nfs/dbraw/zinc/93/12/63/1348931263.db2.gz NPDXFLRYTKRWHO-OCCSQVGLSA-N -1 3 346.366 2.169 20 30 EEEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C ZINC001588718581 1348931267 /nfs/dbraw/zinc/93/12/67/1348931267.db2.gz NPDXFLRYTKRWHO-OCCSQVGLSA-N -1 3 346.366 2.169 20 30 EEEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cccc(-n2ccnn2)c1 ZINC001588780904 1348935466 /nfs/dbraw/zinc/93/54/66/1348935466.db2.gz SHKHBPHQLPWTQJ-UHFFFAOYSA-N -1 3 345.370 2.284 20 30 EEEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cccc(-n2ccnn2)c1 ZINC001588780904 1348935470 /nfs/dbraw/zinc/93/54/70/1348935470.db2.gz SHKHBPHQLPWTQJ-UHFFFAOYSA-N -1 3 345.370 2.284 20 30 EEEDHM C[C@@H](C#N)CN(C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC001588931098 1348949657 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C=CCCC(=O)N(C)C[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001602822612 1350591193 /nfs/dbraw/zinc/59/11/93/1350591193.db2.gz CTYSAWQEMVDSKG-LLVKDONJSA-N -1 3 332.383 2.231 20 30 EEEDHM C=CCC1(C(=O)OCc2ccc(-c3nnn[n-]3)s2)CCOCC1 ZINC001602818222 1350591209 /nfs/dbraw/zinc/59/12/09/1350591209.db2.gz IBCYWWFFHCNDQG-UHFFFAOYSA-N -1 3 334.401 2.344 20 30 EEEDHM CCC[C@H](C#N)NC(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001604125905 1350866223 /nfs/dbraw/zinc/86/62/23/1350866223.db2.gz LBPFUHATRSXJPD-CYBMUJFWSA-N -1 3 330.367 2.092 20 30 EEEDHM CCC[C@H](C#N)NC(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001604125905 1350866224 /nfs/dbraw/zinc/86/62/24/1350866224.db2.gz LBPFUHATRSXJPD-CYBMUJFWSA-N -1 3 330.367 2.092 20 30 EEEDHM CCc1ccc([C@H](C#N)NC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC001604521590 1350954271 /nfs/dbraw/zinc/95/42/71/1350954271.db2.gz DIIYHFJRKYYUAV-ZDUSSCGKSA-N -1 3 338.396 2.485 20 30 EEEDHM CCc1ccc([C@H](C#N)NC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC001604521590 1350954274 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EEEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc2c(cncc2Cl)s1 ZINC000908405488 785387532 /nfs/dbraw/zinc/38/75/32/785387532.db2.gz HHMMYNCAMMRLPY-SECBINFHSA-N -1 3 325.777 2.060 20 30 EEEDHM Cc1cc(C(=O)N[C@H]2CCCN([O-])C2=O)c(C)n1Cc1ccccc1 ZINC000820482708 785941907 /nfs/dbraw/zinc/94/19/07/785941907.db2.gz QKJUCRGAVBRPOR-KRWDZBQOSA-N -1 3 341.411 2.263 20 30 EEEDHM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000820482715 785942355 /nfs/dbraw/zinc/94/23/55/785942355.db2.gz QMVQBJZEWHTAIC-KGLIPLIRSA-N -1 3 340.807 2.240 20 30 EEEDHM C=CCCC[C@H](C)NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823894510 787985037 /nfs/dbraw/zinc/98/50/37/787985037.db2.gz RVHDEFZYQARWJY-LBPRGKRZSA-N -1 3 344.419 2.419 20 30 EEEDHM C=CCCC[C@H](C)NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823894510 787985039 /nfs/dbraw/zinc/98/50/39/787985039.db2.gz RVHDEFZYQARWJY-LBPRGKRZSA-N -1 3 344.419 2.419 20 30 EEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C)n2)ccc1F ZINC000058349466 789860497 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EEEDHM C[C@@]1(C#N)CCCN(C(=O)C2(c3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC001603737929 1350755093 /nfs/dbraw/zinc/75/50/93/1350755093.db2.gz VRILCAQTVLNMMB-KRWDZBQOSA-N -1 3 336.399 2.051 20 30 EEEDHM C[C@@]1(C#N)CCCN(C(=O)C2(c3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC001603737929 1350755097 /nfs/dbraw/zinc/75/50/97/1350755097.db2.gz VRILCAQTVLNMMB-KRWDZBQOSA-N -1 3 336.399 2.051 20 30 EEEDHM C[C@@H]1CN(Cc2c3ccccc3[nH]c2C(=O)[O-])C[C@@H](C)N1CC#N ZINC001604797718 1351007219 /nfs/dbraw/zinc/00/72/19/1351007219.db2.gz LRYPLZFTOMNVEX-CHWSQXEVSA-N -1 3 326.400 2.284 20 30 EEEDHM Cc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc(Cl)n1 ZINC001605652004 1351210346 /nfs/dbraw/zinc/21/03/46/1351210346.db2.gz BAFGIHOFOBQBPW-UHFFFAOYSA-N -1 3 327.779 2.347 20 30 EEEDHM Cc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc(Cl)n1 ZINC001605652004 1351210348 /nfs/dbraw/zinc/21/03/48/1351210348.db2.gz BAFGIHOFOBQBPW-UHFFFAOYSA-N -1 3 327.779 2.347 20 30 EEEDHM Cc1nn(CCC#N)c(C)c1OCc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001605666804 1351213881 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C=CCn1c(CCc2nn[n-]n2)nnc1N1CCC(C)(C(C)C)CC1 ZINC001339497284 1337015500 /nfs/dbraw/zinc/01/55/00/1337015500.db2.gz BTBHWDIZEPDZLR-UHFFFAOYSA-N -1 3 344.467 2.025 20 30 EEEDHM C=CCN(CCc1ccco1)c1nnc(-c2cnc[n-]c2=O)n1CC ZINC001339680154 1337051836 /nfs/dbraw/zinc/05/18/36/1337051836.db2.gz RUYXLZHRFPTZPN-UHFFFAOYSA-N -1 3 340.387 2.289 20 30 EEEDHM Cc1ccc(CNC(=O)Nc2cc(C)c(-c3nnn[n-]3)cn2)cc1C#N ZINC001581197108 1344595986 /nfs/dbraw/zinc/59/59/86/1344595986.db2.gz NYHNWWNXMIIRPV-UHFFFAOYSA-N -1 3 348.370 2.072 20 30 EEEDHM Cc1ccc(CNC(=O)Nc2cc(C)c(-c3nn[n-]n3)cn2)cc1C#N ZINC001581197108 1344595990 /nfs/dbraw/zinc/59/59/90/1344595990.db2.gz NYHNWWNXMIIRPV-UHFFFAOYSA-N -1 3 348.370 2.072 20 30 EEEDHM N#CC[C@H](C(=O)Nc1n[nH]c(C2CC2)c1-c1nnn[n-]1)c1ccccc1 ZINC001581857564 1344678004 /nfs/dbraw/zinc/67/80/04/1344678004.db2.gz CRZWJEWEQVMXDV-LBPRGKRZSA-N -1 3 348.370 2.103 20 30 EEEDHM N#CCc1ccsc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001581859412 1344680508 /nfs/dbraw/zinc/68/05/08/1344680508.db2.gz GPGFHZJNICIVGH-UHFFFAOYSA-N -1 3 342.359 2.063 20 30 EEEDHM N#CCc1ccsc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001581859412 1344680510 /nfs/dbraw/zinc/68/05/10/1344680510.db2.gz GPGFHZJNICIVGH-UHFFFAOYSA-N -1 3 342.359 2.063 20 30 EEEDHM N#Cc1cccc(C2(NC(=O)c3csc(-c4nnn[n-]4)c3)CC2)c1 ZINC001581875069 1344684075 /nfs/dbraw/zinc/68/40/75/1344684075.db2.gz UMEUZWLDRRMUSN-UHFFFAOYSA-N -1 3 336.380 2.219 20 30 EEEDHM C#C[C@@H](CCC)NC(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001588328030 1348887803 /nfs/dbraw/zinc/88/78/03/1348887803.db2.gz XBCWOWUJMWUERP-HNNXBMFYSA-N -1 3 338.415 2.347 20 30 EEEDHM C#C[C@@H](CCC)NC(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001588328030 1348887811 /nfs/dbraw/zinc/88/78/11/1348887811.db2.gz XBCWOWUJMWUERP-HNNXBMFYSA-N -1 3 338.415 2.347 20 30 EEEDHM C#C[C@H](CC)OC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001588328088 1348887913 /nfs/dbraw/zinc/88/79/13/1348887913.db2.gz ZAMPAMPYLRZRLZ-DOMZBBRYSA-N -1 3 328.372 2.225 20 30 EEEDHM C#C[C@H](CC)OC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001588328088 1348887920 /nfs/dbraw/zinc/88/79/20/1348887920.db2.gz ZAMPAMPYLRZRLZ-DOMZBBRYSA-N -1 3 328.372 2.225 20 30 EEEDHM C#C[C@@H](CC)OC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001588328090 1348888410 /nfs/dbraw/zinc/88/84/10/1348888410.db2.gz ZAMPAMPYLRZRLZ-SWLSCSKDSA-N -1 3 328.372 2.225 20 30 EEEDHM C#C[C@@H](CC)OC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001588328090 1348888415 /nfs/dbraw/zinc/88/84/15/1348888415.db2.gz ZAMPAMPYLRZRLZ-SWLSCSKDSA-N -1 3 328.372 2.225 20 30 EEEDHM C#C[C@@H](NC(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1)c1ccccc1 ZINC001588330030 1348889115 /nfs/dbraw/zinc/88/91/15/1348889115.db2.gz SWCCXEIAAWRPGK-CQSZACIVSA-N -1 3 342.362 2.452 20 30 EEEDHM C#CCN(Cc1cccc(-c2nnn[n-]2)n1)[C@@H]1CCc2ccccc21 ZINC001588351650 1348893238 /nfs/dbraw/zinc/89/32/38/1348893238.db2.gz DCDNVUCUYAFWFS-GOSISDBHSA-N -1 3 330.395 2.384 20 30 EEEDHM C#CCOc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001588362037 1348894966 /nfs/dbraw/zinc/89/49/66/1348894966.db2.gz PORLFALFUSYGMS-UHFFFAOYSA-N -1 3 337.314 2.270 20 30 EEEDHM C#CCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001588362037 1348894968 /nfs/dbraw/zinc/89/49/68/1348894968.db2.gz PORLFALFUSYGMS-UHFFFAOYSA-N -1 3 337.314 2.270 20 30 EEEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1c[nH]nc1-c1cccnc1 ZINC001588381547 1348898751 /nfs/dbraw/zinc/89/87/51/1348898751.db2.gz HNMCSVFNLOHARL-UHFFFAOYSA-N -1 3 331.343 2.098 20 30 EEEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1c[nH]nc1-c1cccnc1 ZINC001588381547 1348898753 /nfs/dbraw/zinc/89/87/53/1348898753.db2.gz HNMCSVFNLOHARL-UHFFFAOYSA-N -1 3 331.343 2.098 20 30 EEEDHM C=CCC1(C(=O)Nc2cc(-c3nn[n-]n3)ccc2NC)CCOCC1 ZINC001588556433 1348915554 /nfs/dbraw/zinc/91/55/54/1348915554.db2.gz LHDDNSGHJVCSBO-UHFFFAOYSA-N -1 3 342.403 2.220 20 30 EEEDHM C=CCCC[C@@H](C(=O)n1ncc(-c2nnn[n-]2)c1N)c1ccccc1 ZINC001588593841 1348921952 /nfs/dbraw/zinc/92/19/52/1348921952.db2.gz HZFBIPYXJRSNSN-CYBMUJFWSA-N -1 3 337.387 2.426 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)(C)OCC ZINC001588639790 1348925933 /nfs/dbraw/zinc/92/59/33/1348925933.db2.gz WZXHGDAHINVHBR-UHFFFAOYSA-N -1 3 329.404 2.196 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)(C)OCC ZINC001588639790 1348925937 /nfs/dbraw/zinc/92/59/37/1348925937.db2.gz WZXHGDAHINVHBR-UHFFFAOYSA-N -1 3 329.404 2.196 20 30 EEEDHM CC(=Cc1ccncc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001588772446 1348934317 /nfs/dbraw/zinc/93/43/17/1348934317.db2.gz OTPUDBSCPKZHBZ-FLIBITNWSA-N -1 3 331.339 2.175 20 30 EEEDHM CC(=Cc1ccncc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001588772446 1348934319 /nfs/dbraw/zinc/93/43/19/1348934319.db2.gz OTPUDBSCPKZHBZ-FLIBITNWSA-N -1 3 331.339 2.175 20 30 EEEDHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(OCc2nc(C#N)cs2)n1 ZINC001589222255 1348971683 /nfs/dbraw/zinc/97/16/83/1348971683.db2.gz XFCHICIGYNUPMZ-UHFFFAOYSA-N -1 3 341.400 2.466 20 30 EEEDHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(OCc2nc(C#N)cs2)n1 ZINC001589222255 1348971687 /nfs/dbraw/zinc/97/16/87/1348971687.db2.gz XFCHICIGYNUPMZ-UHFFFAOYSA-N -1 3 341.400 2.466 20 30 EEEDHM CC(C)C[C@H](C#N)NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589536630 1349001965 /nfs/dbraw/zinc/00/19/65/1349001965.db2.gz AHNNRMVDNHPVIY-SWLSCSKDSA-N -1 3 326.404 2.100 20 30 EEEDHM CC(C)C[C@H](C#N)NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589536630 1349001968 /nfs/dbraw/zinc/00/19/68/1349001968.db2.gz AHNNRMVDNHPVIY-SWLSCSKDSA-N -1 3 326.404 2.100 20 30 EEEDHM CC1(C)OCC[C@@H]1NN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001590119336 1349162469 /nfs/dbraw/zinc/16/24/69/1349162469.db2.gz RCNIFBOFFFCYAK-HNNXBMFYSA-N -1 3 326.404 2.064 20 30 EEEDHM CC1(C)OCC[C@@H]1NN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001590119336 1349162475 /nfs/dbraw/zinc/16/24/75/1349162475.db2.gz RCNIFBOFFFCYAK-HNNXBMFYSA-N -1 3 326.404 2.064 20 30 EEEDHM COC(=O)c1cc(C=NNc2cccc(-c3nnn[n-]3)c2)oc1C ZINC001591287673 1349456491 /nfs/dbraw/zinc/45/64/91/1349456491.db2.gz AWICYPICOFOTNL-UHFFFAOYSA-N -1 3 326.316 2.001 20 30 EEEDHM COC(=O)c1cc(C=NNc2cccc(-c3nn[n-]n3)c2)oc1C ZINC001591287673 1349456494 /nfs/dbraw/zinc/45/64/94/1349456494.db2.gz AWICYPICOFOTNL-UHFFFAOYSA-N -1 3 326.316 2.001 20 30 EEEDHM COC(=O)c1cccc(COc2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC001591301469 1349457495 /nfs/dbraw/zinc/45/74/95/1349457495.db2.gz IRFWLBMEKJGAHC-UHFFFAOYSA-N -1 3 335.323 2.104 20 30 EEEDHM COC(=O)c1cccc(COc2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC001591301469 1349457500 /nfs/dbraw/zinc/45/75/00/1349457500.db2.gz IRFWLBMEKJGAHC-UHFFFAOYSA-N -1 3 335.323 2.104 20 30 EEEDHM COC1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CCCCCC1 ZINC001591337068 1349464264 /nfs/dbraw/zinc/46/42/64/1349464264.db2.gz JUIPGXROXZRPGM-UHFFFAOYSA-N -1 3 340.387 2.416 20 30 EEEDHM COC1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCCCCC1 ZINC001591337068 1349464266 /nfs/dbraw/zinc/46/42/66/1349464266.db2.gz JUIPGXROXZRPGM-UHFFFAOYSA-N -1 3 340.387 2.416 20 30 EEEDHM CON=CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001591467828 1349487927 /nfs/dbraw/zinc/48/79/27/1349487927.db2.gz XFPHHJIVEKAXLX-UHFFFAOYSA-N -1 3 338.327 2.230 20 30 EEEDHM CON=CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001591467828 1349487928 /nfs/dbraw/zinc/48/79/28/1349487928.db2.gz XFPHHJIVEKAXLX-UHFFFAOYSA-N -1 3 338.327 2.230 20 30 EEEDHM CON=Cc1ccc(C(=O)N2CCc3c2cccc3-c2nnn[n-]2)cc1 ZINC001591467640 1349488739 /nfs/dbraw/zinc/48/87/39/1349488739.db2.gz UFLBMQHCOWWHGW-UHFFFAOYSA-N -1 3 348.366 2.050 20 30 EEEDHM CON=Cc1ccc(C(=O)N2CCc3c2cccc3-c2nn[n-]n2)cc1 ZINC001591467640 1349488740 /nfs/dbraw/zinc/48/87/40/1349488740.db2.gz UFLBMQHCOWWHGW-UHFFFAOYSA-N -1 3 348.366 2.050 20 30 EEEDHM N#CC1CCC(CNC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001592671426 1349703918 /nfs/dbraw/zinc/70/39/18/1349703918.db2.gz NVXIBYRLBCNWIU-UHFFFAOYSA-N -1 3 328.351 2.066 20 30 EEEDHM N#CC1CCC(CNC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001592671426 1349703921 /nfs/dbraw/zinc/70/39/21/1349703921.db2.gz NVXIBYRLBCNWIU-UHFFFAOYSA-N -1 3 328.351 2.066 20 30 EEEDHM N#Cc1cccc(CNC(=O)c2c[nH]c3cccc(-c4nnn[n-]4)c23)c1 ZINC001592702578 1349708813 /nfs/dbraw/zinc/70/88/13/1349708813.db2.gz ZYNNRIJFQGMGGT-UHFFFAOYSA-N -1 3 343.350 2.150 20 30 EEEDHM N#Cc1cccc(CNC(=O)c2c[nH]c3cccc(-c4nn[n-]n4)c23)c1 ZINC001592702578 1349708816 /nfs/dbraw/zinc/70/88/16/1349708816.db2.gz ZYNNRIJFQGMGGT-UHFFFAOYSA-N -1 3 343.350 2.150 20 30 EEEDHM N#Cc1cccc([C@@H](NCc2cc3c([nH]c2=O)CCCC3)C(=O)[O-])c1 ZINC001601119343 1350213988 /nfs/dbraw/zinc/21/39/88/1350213988.db2.gz YTUJIQLLIANXJN-QGZVFWFLSA-N -1 3 337.379 2.453 20 30 EEEDHM C#CC[C@@H](COC)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC001602697308 1350575034 /nfs/dbraw/zinc/57/50/34/1350575034.db2.gz LQLVJVSMPLIGQA-JTQLQIEISA-N -1 3 325.294 2.336 20 30 EEEDHM C#CC[C@@H](COC)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC001602697308 1350575039 /nfs/dbraw/zinc/57/50/39/1350575039.db2.gz LQLVJVSMPLIGQA-JTQLQIEISA-N -1 3 325.294 2.336 20 30 EEEDHM C#CCOc1ccc(C(=O)N2Cc3cccc(-c4nnn[n-]4)c3C2)cc1 ZINC001602732158 1350578257 /nfs/dbraw/zinc/57/82/57/1350578257.db2.gz PASBQJSXPLCNLU-UHFFFAOYSA-N -1 3 345.362 2.035 20 30 EEEDHM C#CCOc1ccc(C(=O)N2Cc3cccc(-c4nn[n-]n4)c3C2)cc1 ZINC001602732158 1350578260 /nfs/dbraw/zinc/57/82/60/1350578260.db2.gz PASBQJSXPLCNLU-UHFFFAOYSA-N -1 3 345.362 2.035 20 30 EEEDHM C=C(Br)CN1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001602748573 1350580651 /nfs/dbraw/zinc/58/06/51/1350580651.db2.gz CPZNFJMXNFZVAF-UHFFFAOYSA-N -1 3 349.236 2.350 20 30 EEEDHM C=C(Br)CN1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001602748573 1350580653 /nfs/dbraw/zinc/58/06/53/1350580653.db2.gz CPZNFJMXNFZVAF-UHFFFAOYSA-N -1 3 349.236 2.350 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001602752901 1350581586 /nfs/dbraw/zinc/58/15/86/1350581586.db2.gz IJULRZPZWYAVDQ-YGRLFVJLSA-N -1 3 330.348 2.168 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001602752901 1350581592 /nfs/dbraw/zinc/58/15/92/1350581592.db2.gz IJULRZPZWYAVDQ-YGRLFVJLSA-N -1 3 330.348 2.168 20 30 EEEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001602762887 1350583366 /nfs/dbraw/zinc/58/33/66/1350583366.db2.gz NEMXMMLBTDNDNL-UHFFFAOYSA-N -1 3 334.383 2.480 20 30 EEEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001602762887 1350583368 /nfs/dbraw/zinc/58/33/68/1350583368.db2.gz NEMXMMLBTDNDNL-UHFFFAOYSA-N -1 3 334.383 2.480 20 30 EEEDHM C=CCCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C[C@H]1C ZINC001602823536 1350591464 /nfs/dbraw/zinc/59/14/64/1350591464.db2.gz CSVPPEKZXBWDOE-CHWSQXEVSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C[C@H]1C ZINC001602823536 1350591468 /nfs/dbraw/zinc/59/14/68/1350591468.db2.gz CSVPPEKZXBWDOE-CHWSQXEVSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCCCCNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001602838124 1350594574 /nfs/dbraw/zinc/59/45/74/1350594574.db2.gz QGLDDWZSRVSQGA-UHFFFAOYSA-N -1 3 335.433 2.033 20 30 EEEDHM C=CCCCCCNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602838124 1350594578 /nfs/dbraw/zinc/59/45/78/1350594578.db2.gz QGLDDWZSRVSQGA-UHFFFAOYSA-N -1 3 335.433 2.033 20 30 EEEDHM C=CCCNC(=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001602840753 1350594828 /nfs/dbraw/zinc/59/48/28/1350594828.db2.gz DXCBQTMOQINWAP-UHFFFAOYSA-N -1 3 326.404 2.332 20 30 EEEDHM C=CCCNC(=O)N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001602840753 1350594831 /nfs/dbraw/zinc/59/48/31/1350594831.db2.gz DXCBQTMOQINWAP-UHFFFAOYSA-N -1 3 326.404 2.332 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1cccnc1 ZINC001602854184 1350596453 /nfs/dbraw/zinc/59/64/53/1350596453.db2.gz XGWAUQJBBDTAQD-HJWRWDBZSA-N -1 3 346.394 2.490 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1cccnc1 ZINC001602854184 1350596456 /nfs/dbraw/zinc/59/64/56/1350596456.db2.gz XGWAUQJBBDTAQD-HJWRWDBZSA-N -1 3 346.394 2.490 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1C(=O)OCc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001602886483 1350601247 /nfs/dbraw/zinc/60/12/47/1350601247.db2.gz RJNIGIFOLDRAQL-HIFRSBDPSA-N -1 3 328.372 2.118 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1C(=O)OCc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001602886483 1350601248 /nfs/dbraw/zinc/60/12/48/1350601248.db2.gz RJNIGIFOLDRAQL-HIFRSBDPSA-N -1 3 328.372 2.118 20 30 EEEDHM COc1cc(C#N)ccc1NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001605191472 1351099792 /nfs/dbraw/zinc/09/97/92/1351099792.db2.gz WXFBLSWBJOFKOF-UHFFFAOYSA-N -1 3 338.302 2.138 20 30 EEEDHM COc1cc(C#N)ccc1NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001605191472 1351099797 /nfs/dbraw/zinc/09/97/97/1351099797.db2.gz WXFBLSWBJOFKOF-UHFFFAOYSA-N -1 3 338.302 2.138 20 30 EEEDHM COc1ccc2ncc(-c3nnn[n-]3)c(N3CCC[C@H](C#N)C3)c2c1 ZINC001605312192 1351133190 /nfs/dbraw/zinc/13/31/90/1351133190.db2.gz YGWFQHJRPASAFF-LLVKDONJSA-N -1 3 335.371 2.163 20 30 EEEDHM COc1ccc2ncc(-c3nn[n-]n3)c(N3CCC[C@H](C#N)C3)c2c1 ZINC001605312192 1351133191 /nfs/dbraw/zinc/13/31/91/1351133191.db2.gz YGWFQHJRPASAFF-LLVKDONJSA-N -1 3 335.371 2.163 20 30 EEEDHM CSc1ccc(CNC(=O)C2(C#N)CC(C)C2)cc1-c1nnn[n-]1 ZINC001605386936 1351151104 /nfs/dbraw/zinc/15/11/04/1351151104.db2.gz UVJLCUUHCQDYRA-UHFFFAOYSA-N -1 3 342.428 2.145 20 30 EEEDHM CSc1ccc(CNC(=O)C2(C#N)CC(C)C2)cc1-c1nn[n-]n1 ZINC001605386936 1351151105 /nfs/dbraw/zinc/15/11/05/1351151105.db2.gz UVJLCUUHCQDYRA-UHFFFAOYSA-N -1 3 342.428 2.145 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)N(CC#N)C1CCCC1 ZINC001605517289 1351177016 /nfs/dbraw/zinc/17/70/16/1351177016.db2.gz ZZOWLUDBHSBFHL-UHFFFAOYSA-N -1 3 338.415 2.321 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)N(CC#N)C1CCCC1 ZINC001605517289 1351177020 /nfs/dbraw/zinc/17/70/20/1351177020.db2.gz ZZOWLUDBHSBFHL-UHFFFAOYSA-N -1 3 338.415 2.321 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)ccc1Cn1cc(C#N)c(=O)c2ccccc21 ZINC001605541262 1351186080 /nfs/dbraw/zinc/18/60/80/1351186080.db2.gz IUDZTXPHJAMLAV-UHFFFAOYSA-N -1 3 342.362 2.410 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)ccc1Cn1cc(C#N)c(=O)c2ccccc21 ZINC001605541262 1351186082 /nfs/dbraw/zinc/18/60/82/1351186082.db2.gz IUDZTXPHJAMLAV-UHFFFAOYSA-N -1 3 342.362 2.410 20 30 EEEDHM N#C[C@@H]1CC[C@@H](OC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001606345181 1351295386 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2.460 20 30 EEEDHM C=CC[C@@H]1CCN1C(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588563982 1348917713 /nfs/dbraw/zinc/91/77/13/1348917713.db2.gz HGHKCKUCTXUJNR-CQSZACIVSA-N -1 3 329.379 2.460 20 30 EEEDHM C=CC[C@H]1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588564870 1348918273 /nfs/dbraw/zinc/91/82/73/1348918273.db2.gz SSEVYXXZNHLWND-LBPRGKRZSA-N -1 3 329.429 2.383 20 30 EEEDHM C=CC[C@H]1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588564870 1348918281 /nfs/dbraw/zinc/91/82/81/1348918281.db2.gz SSEVYXXZNHLWND-LBPRGKRZSA-N -1 3 329.429 2.383 20 30 EEEDHM C=CC[C@@H]1CCN(C(=O)[C@@H](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588565226 1348918331 /nfs/dbraw/zinc/91/83/31/1348918331.db2.gz XDXKQIUANCHRQP-DZGCQCFKSA-N -1 3 325.416 2.470 20 30 EEEDHM C=CC[C@@H]1CCN(C(=O)[C@@H](C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588565226 1348918336 /nfs/dbraw/zinc/91/83/36/1348918336.db2.gz XDXKQIUANCHRQP-DZGCQCFKSA-N -1 3 325.416 2.470 20 30 EEEDHM C=CCN(CCC#N)C(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001588632490 1348925308 /nfs/dbraw/zinc/92/53/08/1348925308.db2.gz ZTRNBYIQEVGGOK-UHFFFAOYSA-N -1 3 349.354 2.064 20 30 EEEDHM C=CCN(CCC#N)C(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001588632490 1348925312 /nfs/dbraw/zinc/92/53/12/1348925312.db2.gz ZTRNBYIQEVGGOK-UHFFFAOYSA-N -1 3 349.354 2.064 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(NC)nc1 ZINC001588647684 1348926373 /nfs/dbraw/zinc/92/63/73/1348926373.db2.gz BVPXSNSOOYXISV-UHFFFAOYSA-N -1 3 349.398 2.132 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(NC)nc1 ZINC001588647684 1348926375 /nfs/dbraw/zinc/92/63/75/1348926375.db2.gz BVPXSNSOOYXISV-UHFFFAOYSA-N -1 3 349.398 2.132 20 30 EEEDHM C=CCNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001588658222 1348928515 /nfs/dbraw/zinc/92/85/15/1348928515.db2.gz CITMZGGILUJHMR-UHFFFAOYSA-N -1 3 337.343 2.362 20 30 EEEDHM C=CCNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001588658222 1348928520 /nfs/dbraw/zinc/92/85/20/1348928520.db2.gz CITMZGGILUJHMR-UHFFFAOYSA-N -1 3 337.343 2.362 20 30 EEEDHM C=CCOCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1NC1CC1 ZINC001588681896 1348929156 /nfs/dbraw/zinc/92/91/56/1348929156.db2.gz HSZNASFXNOYPDY-UHFFFAOYSA-N -1 3 342.403 2.362 20 30 EEEDHM CC#CCCNC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001588746225 1348931125 /nfs/dbraw/zinc/93/11/25/1348931125.db2.gz OIKRGUBMLJPZPH-UHFFFAOYSA-N -1 3 328.376 2.189 20 30 EEEDHM CC#CCCNC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001588746225 1348931127 /nfs/dbraw/zinc/93/11/27/1348931127.db2.gz OIKRGUBMLJPZPH-UHFFFAOYSA-N -1 3 328.376 2.189 20 30 EEEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cnn(C(C)C)c1C ZINC001588777197 1348935560 /nfs/dbraw/zinc/93/55/60/1348935560.db2.gz INOPEWUTVQPQFZ-UHFFFAOYSA-N -1 3 338.419 2.466 20 30 EEEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cnn(C(C)C)c1C ZINC001588777197 1348935562 /nfs/dbraw/zinc/93/55/62/1348935562.db2.gz INOPEWUTVQPQFZ-UHFFFAOYSA-N -1 3 338.419 2.466 20 30 EEEDHM C[C@@H](NCc1nc(C#N)cs1)c1ccc(-c2nnn[n-]2)cc1F ZINC001589976213 1349088842 /nfs/dbraw/zinc/08/88/42/1349088842.db2.gz LCUPDNRZYVJWFH-MRVPVSSYSA-N -1 3 329.364 2.185 20 30 EEEDHM C[C@@H](NCc1nc(C#N)cs1)c1ccc(-c2nn[n-]n2)cc1F ZINC001589976213 1349088846 /nfs/dbraw/zinc/08/88/46/1349088846.db2.gz LCUPDNRZYVJWFH-MRVPVSSYSA-N -1 3 329.364 2.185 20 30 EEEDHM CCCCCCCC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001590592733 1349375227 /nfs/dbraw/zinc/37/52/27/1349375227.db2.gz GTBRTRDOKMPZPN-ZDUSSCGKSA-N -1 3 348.451 2.047 20 30 EEEDHM CCCCCCCC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001590592733 1349375232 /nfs/dbraw/zinc/37/52/32/1349375232.db2.gz GTBRTRDOKMPZPN-ZDUSSCGKSA-N -1 3 348.451 2.047 20 30 EEEDHM CCc1c(C)sc(NC(=O)c2ccc(C#N)nc2)c1-c1nnn[n-]1 ZINC001590872065 1349407464 /nfs/dbraw/zinc/40/74/64/1349407464.db2.gz DDEVHWZBKQNIFZ-UHFFFAOYSA-N -1 3 339.384 2.318 20 30 EEEDHM CCc1c(C)sc(NC(=O)c2ccc(C#N)nc2)c1-c1nn[n-]n1 ZINC001590872065 1349407472 /nfs/dbraw/zinc/40/74/72/1349407472.db2.gz DDEVHWZBKQNIFZ-UHFFFAOYSA-N -1 3 339.384 2.318 20 30 EEEDHM CN(C)c1ccc(-c2nn[n-]n2)cc1CN1Cc2cccc(C#N)c2C1 ZINC001591029341 1349432463 /nfs/dbraw/zinc/43/24/63/1349432463.db2.gz BVXICJOSAHCLQS-UHFFFAOYSA-N -1 3 345.410 2.320 20 30 EEEDHM CON=CC(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001591467831 1349488100 /nfs/dbraw/zinc/48/81/00/1349488100.db2.gz XJYVXIGJPMPSOM-UHFFFAOYSA-N -1 3 338.327 2.230 20 30 EEEDHM CON=CC(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001591467831 1349488106 /nfs/dbraw/zinc/48/81/06/1349488106.db2.gz XJYVXIGJPMPSOM-UHFFFAOYSA-N -1 3 338.327 2.230 20 30 EEEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N(C)Cc1cccc(C#N)c1 ZINC001592095161 1349589854 /nfs/dbraw/zinc/58/98/54/1349589854.db2.gz QVRKMGPLCWMMNG-UHFFFAOYSA-N -1 3 332.367 2.319 20 30 EEEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N(C)Cc1cccc(C#N)c1 ZINC001592095161 1349589855 /nfs/dbraw/zinc/58/98/55/1349589855.db2.gz QVRKMGPLCWMMNG-UHFFFAOYSA-N -1 3 332.367 2.319 20 30 EEEDHM N#Cc1c(F)cccc1N1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001592686386 1349704979 /nfs/dbraw/zinc/70/49/79/1349704979.db2.gz ILUQHKVBPXHCQR-UHFFFAOYSA-N -1 3 349.373 2.204 20 30 EEEDHM N#Cc1cc(-c2nnn[n-]2)c(SCc2ccc(F)cc2)nc1N ZINC001592687287 1349705418 /nfs/dbraw/zinc/70/54/18/1349705418.db2.gz RNOQNPRMLMSBBM-UHFFFAOYSA-N -1 3 327.348 2.147 20 30 EEEDHM N#Cc1cc(-c2nn[n-]n2)c(SCc2ccc(F)cc2)nc1N ZINC001592687287 1349705419 /nfs/dbraw/zinc/70/54/19/1349705419.db2.gz RNOQNPRMLMSBBM-UHFFFAOYSA-N -1 3 327.348 2.147 20 30 EEEDHM N#Cc1ccc2c(c1)C[C@@H](Nc1c(C#N)cccc1-c1nnn[n-]1)C2 ZINC001592697969 1349707885 /nfs/dbraw/zinc/70/78/85/1349707885.db2.gz XHAVPLHIOBVYIU-HNNXBMFYSA-N -1 3 327.351 2.189 20 30 EEEDHM N#Cc1ccc2c(c1)C[C@@H](Nc1c(C#N)cccc1-c1nn[n-]n1)C2 ZINC001592697969 1349707889 /nfs/dbraw/zinc/70/78/89/1349707889.db2.gz XHAVPLHIOBVYIU-HNNXBMFYSA-N -1 3 327.351 2.189 20 30 EEEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC001601119656 1350214808 /nfs/dbraw/zinc/21/48/08/1350214808.db2.gz WAPATANIAMTOEW-MGPQQGTHSA-N -1 3 342.317 2.319 20 30 EEEDHM C#CCSCCNc1cccc(Br)c1-c1nnn[n-]1 ZINC001602732561 1350578418 /nfs/dbraw/zinc/57/84/18/1350578418.db2.gz AKWYFRRCBZGYRS-UHFFFAOYSA-N -1 3 338.234 2.408 20 30 EEEDHM C#CCSCCNc1cccc(Br)c1-c1nn[n-]n1 ZINC001602732561 1350578419 /nfs/dbraw/zinc/57/84/19/1350578419.db2.gz AKWYFRRCBZGYRS-UHFFFAOYSA-N -1 3 338.234 2.408 20 30 EEEDHM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001602822656 1350591012 /nfs/dbraw/zinc/59/10/12/1350591012.db2.gz DHCDKMCBAGURAU-AWEZNQCLSA-N -1 3 325.372 2.007 20 30 EEEDHM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001602822656 1350591019 /nfs/dbraw/zinc/59/10/19/1350591019.db2.gz DHCDKMCBAGURAU-AWEZNQCLSA-N -1 3 325.372 2.007 20 30 EEEDHM C=CC[C@H]1CCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC001602824517 1350591761 /nfs/dbraw/zinc/59/17/61/1350591761.db2.gz RHTFGYURSGDKCZ-LBPRGKRZSA-N -1 3 328.376 2.448 20 30 EEEDHM C=CC[C@H]1CCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC001602824517 1350591764 /nfs/dbraw/zinc/59/17/64/1350591764.db2.gz RHTFGYURSGDKCZ-LBPRGKRZSA-N -1 3 328.376 2.448 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@](C)(CC)OC ZINC001602854103 1350596329 /nfs/dbraw/zinc/59/63/29/1350596329.db2.gz ULYMDOXCYGRNCE-KRWDZBQOSA-N -1 3 329.404 2.196 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@](C)(CC)OC ZINC001602854103 1350596334 /nfs/dbraw/zinc/59/63/34/1350596334.db2.gz ULYMDOXCYGRNCE-KRWDZBQOSA-N -1 3 329.404 2.196 20 30 EEEDHM C=CCOCCCNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001602870512 1350599089 /nfs/dbraw/zinc/59/90/89/1350599089.db2.gz JQJQBBVZLUJWSZ-UHFFFAOYSA-N -1 3 336.783 2.234 20 30 EEEDHM C=CCOCCCNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001602870512 1350599091 /nfs/dbraw/zinc/59/90/91/1350599091.db2.gz JQJQBBVZLUJWSZ-UHFFFAOYSA-N -1 3 336.783 2.234 20 30 EEEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC001602876029 1350599534 /nfs/dbraw/zinc/59/95/34/1350599534.db2.gz PFDCTEBKMAVWHR-CABCVRRESA-N -1 3 348.414 2.300 20 30 EEEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC001602876029 1350599536 /nfs/dbraw/zinc/59/95/36/1350599536.db2.gz PFDCTEBKMAVWHR-CABCVRRESA-N -1 3 348.414 2.300 20 30 EEEDHM C[C@@H](CC(C)(C)C#N)OC(=O)COc1ccccc1-c1nnn[n-]1 ZINC001603450941 1350707732 /nfs/dbraw/zinc/70/77/32/1350707732.db2.gz GOBLYIRJSYOTKQ-NSHDSACASA-N -1 3 329.360 2.117 20 30 EEEDHM C[C@@H](CC(C)(C)C#N)OC(=O)COc1ccccc1-c1nn[n-]n1 ZINC001603450941 1350707734 /nfs/dbraw/zinc/70/77/34/1350707734.db2.gz GOBLYIRJSYOTKQ-NSHDSACASA-N -1 3 329.360 2.117 20 30 EEEDHM CC1(C#N)CCN(c2ncc(-c3nnn[n-]3)cc2Br)CC1 ZINC001603736010 1350755474 /nfs/dbraw/zinc/75/54/74/1350755474.db2.gz BRFKXMAFHYNAOI-UHFFFAOYSA-N -1 3 348.208 2.154 20 30 EEEDHM CC1(C#N)CCN(c2ncc(-c3nn[n-]n3)cc2Br)CC1 ZINC001603736010 1350755478 /nfs/dbraw/zinc/75/54/78/1350755478.db2.gz BRFKXMAFHYNAOI-UHFFFAOYSA-N -1 3 348.208 2.154 20 30 EEEDHM CCN(C[C@H](C)C#N)C(=O)CSc1cccc(F)c1-c1nnn[n-]1 ZINC001604274773 1350907524 /nfs/dbraw/zinc/90/75/24/1350907524.db2.gz UIKZKCGTDKMGMA-SNVBAGLBSA-N -1 3 348.407 2.106 20 30 EEEDHM CN(C)C(=O)Cc1ccc(Nc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001604668120 1350980872 /nfs/dbraw/zinc/98/08/72/1350980872.db2.gz GDBDYCNLYPJRLB-UHFFFAOYSA-N -1 3 347.382 2.113 20 30 EEEDHM CN(C)C(=O)Cc1ccc(Nc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001604668120 1350980873 /nfs/dbraw/zinc/98/08/73/1350980873.db2.gz GDBDYCNLYPJRLB-UHFFFAOYSA-N -1 3 347.382 2.113 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)O[C@H]1CC[C@@](C)(C#N)CC1 ZINC001605554500 1351189506 /nfs/dbraw/zinc/18/95/06/1351189506.db2.gz OYQIGEWLCURFCH-DRQUAOQDSA-N -1 3 326.360 2.199 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)O[C@H]1CC[C@@](C)(C#N)CC1 ZINC001605554500 1351189508 /nfs/dbraw/zinc/18/95/08/1351189508.db2.gz OYQIGEWLCURFCH-DRQUAOQDSA-N -1 3 326.360 2.199 20 30 EEEDHM Cc1nc2ccccn2c1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001606083469 1351267887 /nfs/dbraw/zinc/26/78/87/1351267887.db2.gz CDDBPWXXSLZTKY-UHFFFAOYSA-N -1 3 330.355 2.307 20 30 EEEDHM Cc1nc2ccccn2c1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001606083469 1351267888 /nfs/dbraw/zinc/26/78/88/1351267888.db2.gz CDDBPWXXSLZTKY-UHFFFAOYSA-N -1 3 330.355 2.307 20 30 EEEDHM Cc1ncsc1C=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001606103243 1351271334 /nfs/dbraw/zinc/27/13/34/1351271334.db2.gz FHXUUJIEUNRHHN-PLNGDYQASA-N -1 3 337.368 2.155 20 30 EEEDHM Cc1ncsc1C=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001606103243 1351271337 /nfs/dbraw/zinc/27/13/37/1351271337.db2.gz FHXUUJIEUNRHHN-PLNGDYQASA-N -1 3 337.368 2.155 20 30 EEEDHM Cc1onc(CC(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)c1C#N ZINC001606180732 1351282312 /nfs/dbraw/zinc/28/23/12/1351282312.db2.gz VBJLGSQMASCHPM-UHFFFAOYSA-N -1 3 349.354 2.093 20 30 EEEDHM Cc1onc(CC(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)c1C#N ZINC001606180732 1351282314 /nfs/dbraw/zinc/28/23/14/1351282314.db2.gz VBJLGSQMASCHPM-UHFFFAOYSA-N -1 3 349.354 2.093 20 30 EEEDHM N#CCSCCCOC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001606350766 1351296909 /nfs/dbraw/zinc/29/69/09/1351296909.db2.gz DBVHFSUWFGIGJG-UHFFFAOYSA-N -1 3 337.792 2.324 20 30 EEEDHM N#CCSCCCOC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001606350766 1351296911 /nfs/dbraw/zinc/29/69/11/1351296911.db2.gz DBVHFSUWFGIGJG-UHFFFAOYSA-N -1 3 337.792 2.324 20 30 EEEDHM C=CCCOCC(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC001075041760 1370969790 /nfs/dbraw/zinc/96/97/90/1370969790.db2.gz WVHFBFQSEJRHCK-LSDHHAIUSA-N -1 3 346.427 2.094 20 30 EEEDHM CC[C@H](Oc1ccccc1C(C)C)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848139379 1373087130 /nfs/dbraw/zinc/08/71/30/1373087130.db2.gz VCCRQKNCBABYPT-CABCVRRESA-N -1 3 334.416 2.464 20 30 EEEDHM COc1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1C#N ZINC001365072744 1373665390 /nfs/dbraw/zinc/66/53/90/1373665390.db2.gz HDJVZMAFZVYBHE-UHFFFAOYSA-N -1 3 340.265 2.025 20 30 EEEDHM C=C(Br)CN(C)C[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001401728695 1397534548 /nfs/dbraw/zinc/53/45/48/1397534548.db2.gz PSIMLLYSANVTKS-LLVKDONJSA-N -1 3 327.222 2.351 20 30 EEEDHM CC[C@H](C#N)N(C)C(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001576485182 1403578388 /nfs/dbraw/zinc/57/83/88/1403578388.db2.gz ZDPOZPSELJTWGW-MRVPVSSYSA-N -1 3 349.192 2.003 20 30 EEEDHM CC[C@H](C#N)N(C)C(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001576485182 1403578392 /nfs/dbraw/zinc/57/83/92/1403578392.db2.gz ZDPOZPSELJTWGW-MRVPVSSYSA-N -1 3 349.192 2.003 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC001591841240 1403957309 /nfs/dbraw/zinc/95/73/09/1403957309.db2.gz SKVGHMWCXCBJNE-CZUORRHYSA-N -1 3 338.415 2.177 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC001591841240 1403957314 /nfs/dbraw/zinc/95/73/14/1403957314.db2.gz SKVGHMWCXCBJNE-CZUORRHYSA-N -1 3 338.415 2.177 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)N[C@@H](C#N)C1CCCC1 ZINC001591842618 1403958579 /nfs/dbraw/zinc/95/85/79/1403958579.db2.gz NXPLBMQESBQCGD-INIZCTEOSA-N -1 3 338.415 2.225 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)N[C@@H](C#N)C1CCCC1 ZINC001591842618 1403958584 /nfs/dbraw/zinc/95/85/84/1403958584.db2.gz NXPLBMQESBQCGD-INIZCTEOSA-N -1 3 338.415 2.225 20 30 EEEDHM Cc1cc(N2Cc3ccc(-c4nnn[n-]4)cc3C2)c(C#N)cc1[N+](=O)[O-] ZINC001592013570 1403984663 /nfs/dbraw/zinc/98/46/63/1403984663.db2.gz UTCMNPCHFZEJEO-UHFFFAOYSA-N -1 3 347.338 2.475 20 30 EEEDHM Cc1cc(N2Cc3ccc(-c4nn[n-]n4)cc3C2)c(C#N)cc1[N+](=O)[O-] ZINC001592013570 1403984669 /nfs/dbraw/zinc/98/46/69/1403984669.db2.gz UTCMNPCHFZEJEO-UHFFFAOYSA-N -1 3 347.338 2.475 20 30 EEEDHM N#CC[C@@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001592673761 1404709045 /nfs/dbraw/zinc/70/90/45/1404709045.db2.gz NMNXUEFGXWUUKJ-JTQLQIEISA-N -1 3 329.339 2.163 20 30 EEEDHM N#CC[C@@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001592673761 1404709052 /nfs/dbraw/zinc/70/90/52/1404709052.db2.gz NMNXUEFGXWUUKJ-JTQLQIEISA-N -1 3 329.339 2.163 20 30 EEEDHM N#C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)c1nc(-c2ccoc2)no1 ZINC001592670156 1404709926 /nfs/dbraw/zinc/70/99/26/1404709926.db2.gz WPHHGYMPHNQVPM-CYBMUJFWSA-N -1 3 333.311 2.360 20 30 EEEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccoc2)no1 ZINC001592670156 1404709928 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C=CCn1c(-c2cnc[n-]c2=O)nnc1N(C)Cc1cnc(C)s1 ZINC001340459440 1337189335 /nfs/dbraw/zinc/18/93/35/1337189335.db2.gz NQYPYBGRAVETNY-UHFFFAOYSA-N -1 3 343.416 2.028 20 30 EEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCc2sccc2C1 ZINC001340502459 1337198143 /nfs/dbraw/zinc/19/81/43/1337198143.db2.gz URUAXEHHGHPEGK-UHFFFAOYSA-N -1 3 329.385 2.449 20 30 EEEDHM C#CCN(CC)c1nnc(-c2cc(=O)[n-]c(C)n2)n1Cc1ccccc1 ZINC001342184858 1337310884 /nfs/dbraw/zinc/31/08/84/1337310884.db2.gz YAXHJKDHURQFFU-UHFFFAOYSA-N -1 3 348.410 2.257 20 30 EEEDHM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1 ZINC001610505770 1352235172 /nfs/dbraw/zinc/23/51/72/1352235172.db2.gz ZGKTTZDSDPOWNR-YQQAZPJKSA-N -1 3 343.427 2.425 20 30 EEEDHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1nc(C#N)cs1 ZINC001578385019 1344271749 /nfs/dbraw/zinc/27/17/49/1344271749.db2.gz WAJLWGGXYLSQHH-UHFFFAOYSA-N -1 3 328.357 2.173 20 30 EEEDHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1nc(C#N)cs1 ZINC001578385019 1344271752 /nfs/dbraw/zinc/27/17/52/1344271752.db2.gz WAJLWGGXYLSQHH-UHFFFAOYSA-N -1 3 328.357 2.173 20 30 EEEDHM Cc1ccc(C(=O)N(C)CCc2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC001581142249 1344592728 /nfs/dbraw/zinc/59/27/28/1344592728.db2.gz FJAAPONWLYJWOO-UHFFFAOYSA-N -1 3 346.394 2.362 20 30 EEEDHM Cc1ccc(C(=O)N(C)CCc2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC001581142249 1344592731 /nfs/dbraw/zinc/59/27/31/1344592731.db2.gz FJAAPONWLYJWOO-UHFFFAOYSA-N -1 3 346.394 2.362 20 30 EEEDHM N#CCc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC001581858476 1344679735 /nfs/dbraw/zinc/67/97/35/1344679735.db2.gz HWOGEOQUGOYSFW-UHFFFAOYSA-N -1 3 336.330 2.002 20 30 EEEDHM N#CCc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC001581858476 1344679737 /nfs/dbraw/zinc/67/97/37/1344679737.db2.gz HWOGEOQUGOYSFW-UHFFFAOYSA-N -1 3 336.330 2.002 20 30 EEEDHM N#Cc1cc(NC(=O)c2cscc2-c2nnn[n-]2)c(F)cc1F ZINC001581870656 1344683358 /nfs/dbraw/zinc/68/33/58/1344683358.db2.gz MPXLGDAAGJHERX-UHFFFAOYSA-N -1 3 332.295 2.330 20 30 EEEDHM N#Cc1cc(NC(=O)c2cscc2-c2nn[n-]n2)c(F)cc1F ZINC001581870656 1344683360 /nfs/dbraw/zinc/68/33/60/1344683360.db2.gz MPXLGDAAGJHERX-UHFFFAOYSA-N -1 3 332.295 2.330 20 30 EEEDHM C#C[C@H]1CCCCN1Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC001588331677 1348889548 /nfs/dbraw/zinc/88/95/48/1348889548.db2.gz CDFUWZJMIGVWPO-ZDUSSCGKSA-N -1 3 333.342 2.456 20 30 EEEDHM C#C[C@H]1CCCCN1Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC001588331677 1348889552 /nfs/dbraw/zinc/88/95/52/1348889552.db2.gz CDFUWZJMIGVWPO-ZDUSSCGKSA-N -1 3 333.342 2.456 20 30 EEEDHM C#CCCN(Cc1ccc(-c2nnn[n-]2)cc1F)CC(F)(F)F ZINC001588346462 1348893524 /nfs/dbraw/zinc/89/35/24/1348893524.db2.gz NRLDNRMBNDWOCU-UHFFFAOYSA-N -1 3 327.285 2.393 20 30 EEEDHM C#CCCN(Cc1ccc(-c2nn[n-]n2)cc1F)CC(F)(F)F ZINC001588346462 1348893531 /nfs/dbraw/zinc/89/35/31/1348893531.db2.gz NRLDNRMBNDWOCU-UHFFFAOYSA-N -1 3 327.285 2.393 20 30 EEEDHM C#CCCN(Cc1ccc(-c2nnn[n-]2)c(OC)c1)CC(F)(F)F ZINC001588346432 1348894441 /nfs/dbraw/zinc/89/44/41/1348894441.db2.gz MUZQWDQEYPXPKB-UHFFFAOYSA-N -1 3 339.321 2.263 20 30 EEEDHM C#CCCN(Cc1ccc(-c2nn[n-]n2)c(OC)c1)CC(F)(F)F ZINC001588346432 1348894446 /nfs/dbraw/zinc/89/44/46/1348894446.db2.gz MUZQWDQEYPXPKB-UHFFFAOYSA-N -1 3 339.321 2.263 20 30 EEEDHM C=C(C)CONC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588428823 1348904400 /nfs/dbraw/zinc/90/44/00/1348904400.db2.gz DKSKPJZQMVSGQW-UHFFFAOYSA-N -1 3 340.387 2.173 20 30 EEEDHM C=C(C)CONC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588428823 1348904402 /nfs/dbraw/zinc/90/44/02/1348904402.db2.gz DKSKPJZQMVSGQW-UHFFFAOYSA-N -1 3 340.387 2.173 20 30 EEEDHM C=C[C@](C)(CC)C(=O)N[C@@H](C)CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001588491113 1348909264 /nfs/dbraw/zinc/90/92/64/1348909264.db2.gz DABSABIKDVEMOK-YVEFUNNKSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@](C)(CC)C(=O)N[C@@H](C)CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001588491113 1348909267 /nfs/dbraw/zinc/90/92/67/1348909267.db2.gz DABSABIKDVEMOK-YVEFUNNKSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@H](CC)CC(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588518729 1348911138 /nfs/dbraw/zinc/91/11/38/1348911138.db2.gz JZSXXSZIFVYABJ-QWHCGFSZSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@H](CC)CC(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588518729 1348911141 /nfs/dbraw/zinc/91/11/41/1348911141.db2.gz JZSXXSZIFVYABJ-QWHCGFSZSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@@H](CC)CC(=O)NCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001588523416 1348912251 /nfs/dbraw/zinc/91/22/51/1348912251.db2.gz KJTJSJMYFCGBMC-JTQLQIEISA-N -1 3 349.826 2.046 20 30 EEEDHM C=C[C@@H](CC)CC(=O)NCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001588523416 1348912255 /nfs/dbraw/zinc/91/22/55/1348912255.db2.gz KJTJSJMYFCGBMC-JTQLQIEISA-N -1 3 349.826 2.046 20 30 EEEDHM C=CCC(F)(F)C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC001588546183 1348915502 /nfs/dbraw/zinc/91/55/02/1348915502.db2.gz ZTSPNJGSBZUKEP-JTQLQIEISA-N -1 3 338.314 2.389 20 30 EEEDHM C=CCC(F)(F)C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC001588546183 1348915504 /nfs/dbraw/zinc/91/55/04/1348915504.db2.gz ZTSPNJGSBZUKEP-JTQLQIEISA-N -1 3 338.314 2.389 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(OCC)CCC1 ZINC001588639140 1348925907 /nfs/dbraw/zinc/92/59/07/1348925907.db2.gz NSWCFZCETBYIIV-UHFFFAOYSA-N -1 3 341.415 2.341 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(OCC)CCC1 ZINC001588639140 1348925908 /nfs/dbraw/zinc/92/59/08/1348925908.db2.gz NSWCFZCETBYIIV-UHFFFAOYSA-N -1 3 341.415 2.341 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1coc(C=O)c1 ZINC001588648397 1348927045 /nfs/dbraw/zinc/92/70/45/1348927045.db2.gz OKLAVPKLKZQCJQ-UHFFFAOYSA-N -1 3 337.339 2.101 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1coc(C=O)c1 ZINC001588648397 1348927048 /nfs/dbraw/zinc/92/70/48/1348927048.db2.gz OKLAVPKLKZQCJQ-UHFFFAOYSA-N -1 3 337.339 2.101 20 30 EEEDHM C=CCc1ccc(OC(=O)c2cnccc2-c2nnn[n-]2)c(OC)c1 ZINC001588694392 1348929986 /nfs/dbraw/zinc/92/99/86/1348929986.db2.gz JDRBSQGFOLXHCF-UHFFFAOYSA-N -1 3 337.339 2.218 20 30 EEEDHM C=CCc1ccc(OC(=O)c2cnccc2-c2nn[n-]n2)c(OC)c1 ZINC001588694392 1348929987 /nfs/dbraw/zinc/92/99/87/1348929987.db2.gz JDRBSQGFOLXHCF-UHFFFAOYSA-N -1 3 337.339 2.218 20 30 EEEDHM C=CCc1ccccc1OS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588694880 1348930273 /nfs/dbraw/zinc/93/02/73/1348930273.db2.gz QGFXBKABQHROKG-UHFFFAOYSA-N -1 3 342.380 2.363 20 30 EEEDHM C=CCc1ccccc1OS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588694880 1348930274 /nfs/dbraw/zinc/93/02/74/1348930274.db2.gz QGFXBKABQHROKG-UHFFFAOYSA-N -1 3 342.380 2.363 20 30 EEEDHM CC(=O)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cs1 ZINC001588895107 1348942943 /nfs/dbraw/zinc/94/29/43/1348942943.db2.gz USBFBHKYGOCAFT-UHFFFAOYSA-N -1 3 338.352 2.255 20 30 EEEDHM CC(=O)c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cs1 ZINC001588895107 1348942946 /nfs/dbraw/zinc/94/29/46/1348942946.db2.gz USBFBHKYGOCAFT-UHFFFAOYSA-N -1 3 338.352 2.255 20 30 EEEDHM CC(C)(C#N)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001589033253 1348953759 /nfs/dbraw/zinc/95/37/59/1348953759.db2.gz BZIRCCSNXNKAOB-UHFFFAOYSA-N -1 3 340.265 2.254 20 30 EEEDHM CC(C)(C#N)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001589033253 1348953762 /nfs/dbraw/zinc/95/37/62/1348953762.db2.gz BZIRCCSNXNKAOB-UHFFFAOYSA-N -1 3 340.265 2.254 20 30 EEEDHM CC(C)(NC(=O)c1sccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC001589322242 1348983850 /nfs/dbraw/zinc/98/38/50/1348983850.db2.gz XTIMSPGRSFVZTB-UHFFFAOYSA-N -1 3 338.396 2.465 20 30 EEEDHM CC(C)(NC(=O)c1sccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC001589322242 1348983855 /nfs/dbraw/zinc/98/38/55/1348983855.db2.gz XTIMSPGRSFVZTB-UHFFFAOYSA-N -1 3 338.396 2.465 20 30 EEEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CSCC#N ZINC001589621757 1349011457 /nfs/dbraw/zinc/01/14/57/1349011457.db2.gz PJFLTSOJJPYIJX-UHFFFAOYSA-N -1 3 344.444 2.108 20 30 EEEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CSCC#N ZINC001589621757 1349011460 /nfs/dbraw/zinc/01/14/60/1349011460.db2.gz PJFLTSOJJPYIJX-UHFFFAOYSA-N -1 3 344.444 2.108 20 30 EEEDHM C[C@@H](CC(C)(C)C#N)OC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001589797217 1349045437 /nfs/dbraw/zinc/04/54/37/1349045437.db2.gz XPTXKVXTIRFVOD-NSHDSACASA-N -1 3 329.360 2.117 20 30 EEEDHM COC(=O)c1coc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001591307505 1349459734 /nfs/dbraw/zinc/45/97/34/1349459734.db2.gz LTPKKOQFQTWBLL-HWKANZROSA-N -1 3 342.286 2.282 20 30 EEEDHM COC(=O)c1coc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001591307505 1349459740 /nfs/dbraw/zinc/45/97/40/1349459740.db2.gz LTPKKOQFQTWBLL-HWKANZROSA-N -1 3 342.286 2.282 20 30 EEEDHM C[C@@H](CN=Nc1ccc(-c2nnn[n-]2)cc1)NC(=O)OC(C)(C)C ZINC001591719736 1349534635 /nfs/dbraw/zinc/53/46/35/1349534635.db2.gz PEXURRLPKILXSO-JTQLQIEISA-N -1 3 331.380 2.178 20 30 EEEDHM C[C@@H](CN=Nc1ccc(-c2nn[n-]n2)cc1)NC(=O)OC(C)(C)C ZINC001591719736 1349534641 /nfs/dbraw/zinc/53/46/41/1349534641.db2.gz PEXURRLPKILXSO-JTQLQIEISA-N -1 3 331.380 2.178 20 30 EEEDHM Cc1cc(C#N)cc(N(C)CCOCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001591906062 1349555751 /nfs/dbraw/zinc/55/57/51/1349555751.db2.gz SUPMEBZASMRRGN-UHFFFAOYSA-N -1 3 349.398 2.095 20 30 EEEDHM Cc1cc(C#N)cc(N(C)CCOCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001591906062 1349555756 /nfs/dbraw/zinc/55/57/56/1349555756.db2.gz SUPMEBZASMRRGN-UHFFFAOYSA-N -1 3 349.398 2.095 20 30 EEEDHM Cc1cc([C@@](C)(O)CNc2c(C#N)cccc2-c2nnn[n-]2)c(C)o1 ZINC001591940044 1349563773 /nfs/dbraw/zinc/56/37/73/1349563773.db2.gz JJVNGBQXCXCZTC-KRWDZBQOSA-N -1 3 338.371 2.268 20 30 EEEDHM Cc1cc([C@@](C)(O)CNc2c(C#N)cccc2-c2nn[n-]n2)c(C)o1 ZINC001591940044 1349563776 /nfs/dbraw/zinc/56/37/76/1349563776.db2.gz JJVNGBQXCXCZTC-KRWDZBQOSA-N -1 3 338.371 2.268 20 30 EEEDHM Cc1nnc(SCCc2ccc(-c3nnn[n-]3)cc2)c(C#N)c1C ZINC001592449896 1349633901 /nfs/dbraw/zinc/63/39/01/1349633901.db2.gz OSVYULSVWQXHBK-UHFFFAOYSA-N -1 3 337.412 2.480 20 30 EEEDHM Cc1nnc(SCCc2ccc(-c3nn[n-]n3)cc2)c(C#N)c1C ZINC001592449896 1349633903 /nfs/dbraw/zinc/63/39/03/1349633903.db2.gz OSVYULSVWQXHBK-UHFFFAOYSA-N -1 3 337.412 2.480 20 30 EEEDHM N#C[C@@]1(c2ccccn2)CCCN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592671836 1349704207 /nfs/dbraw/zinc/70/42/07/1349704207.db2.gz YHSSGGPABWOGQZ-IBGZPJMESA-N -1 3 345.410 2.319 20 30 EEEDHM O=c1[nH]ccc2cc(NN=Cc3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC001593489553 1349817716 /nfs/dbraw/zinc/81/77/16/1349817716.db2.gz CQGNHSCRIDHQLC-UHFFFAOYSA-N -1 3 331.339 2.154 20 30 EEEDHM O=c1[nH]ccc2cc(NN=Cc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC001593489553 1349817720 /nfs/dbraw/zinc/81/77/20/1349817720.db2.gz CQGNHSCRIDHQLC-UHFFFAOYSA-N -1 3 331.339 2.154 20 30 EEEDHM Oc1ccc(C=N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)c(O)c1O ZINC001593540567 1349837291 /nfs/dbraw/zinc/83/72/91/1349837291.db2.gz JQDDKIHKHAQFPB-KURMNSRBSA-N -1 3 337.339 2.090 20 30 EEEDHM C#C[C@H](Nc1nc(C)c(-c2nnn[n-]2)cc1Cl)C1CCOCC1 ZINC001602691108 1350573415 /nfs/dbraw/zinc/57/34/15/1350573415.db2.gz SHXYGYFTYYBXOF-ZDUSSCGKSA-N -1 3 332.795 2.064 20 30 EEEDHM C#C[C@H](Nc1nc(C)c(-c2nn[n-]n2)cc1Cl)C1CCOCC1 ZINC001602691108 1350573416 /nfs/dbraw/zinc/57/34/16/1350573416.db2.gz SHXYGYFTYYBXOF-ZDUSSCGKSA-N -1 3 332.795 2.064 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001602752133 1350581804 /nfs/dbraw/zinc/58/18/04/1350581804.db2.gz ZSMAFZKXTJUWOH-RYUDHWBXSA-N -1 3 343.435 2.169 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001602752133 1350581806 /nfs/dbraw/zinc/58/18/06/1350581806.db2.gz ZSMAFZKXTJUWOH-RYUDHWBXSA-N -1 3 343.435 2.169 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001602789902 1350586702 /nfs/dbraw/zinc/58/67/02/1350586702.db2.gz AWHXLRZAKRUKOA-SFHVURJKSA-N -1 3 340.431 2.118 20 30 EEEDHM C=C[C@@](C)(CCOC)C(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001602795881 1350587424 /nfs/dbraw/zinc/58/74/24/1350587424.db2.gz VQWLTFQJWMNXPJ-INIZCTEOSA-N -1 3 349.822 2.365 20 30 EEEDHM C=C[C@@](C)(CCOC)C(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001602795881 1350587428 /nfs/dbraw/zinc/58/74/28/1350587428.db2.gz VQWLTFQJWMNXPJ-INIZCTEOSA-N -1 3 349.822 2.365 20 30 EEEDHM C=CCC(CC=C)C(=O)N(C)C[C@@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001602811168 1350589762 /nfs/dbraw/zinc/58/97/62/1350589762.db2.gz GOTBABIKOAIIJL-MRXNPFEDSA-N -1 3 341.415 2.127 20 30 EEEDHM C=CCC(CC=C)C(=O)N(C)C[C@@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001602811168 1350589765 /nfs/dbraw/zinc/58/97/65/1350589765.db2.gz GOTBABIKOAIIJL-MRXNPFEDSA-N -1 3 341.415 2.127 20 30 EEEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(C)CCCF ZINC001602879884 1350599812 /nfs/dbraw/zinc/59/98/12/1350599812.db2.gz XTLQRCAZKGQMLW-UHFFFAOYSA-N -1 3 342.382 2.107 20 30 EEEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(C)CCCF ZINC001602879884 1350599814 /nfs/dbraw/zinc/59/98/14/1350599814.db2.gz XTLQRCAZKGQMLW-UHFFFAOYSA-N -1 3 342.382 2.107 20 30 EEEDHM CC1(C)C[C@@H](NN=C2CCc3ccc(-c4nnn[n-]4)cc32)CCO1 ZINC001603765380 1350760878 /nfs/dbraw/zinc/76/08/78/1350760878.db2.gz VZAIATDJSOTTID-ZDUSSCGKSA-N -1 3 326.404 2.064 20 30 EEEDHM CC1(C)C[C@@H](NN=C2CCc3ccc(-c4nn[n-]n4)cc32)CCO1 ZINC001603765380 1350760883 /nfs/dbraw/zinc/76/08/83/1350760883.db2.gz VZAIATDJSOTTID-ZDUSSCGKSA-N -1 3 326.404 2.064 20 30 EEEDHM C[C@@H]1CCC[C@@H]1CNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603891879 1350796070 /nfs/dbraw/zinc/79/60/70/1350796070.db2.gz XZCLLPHIHNQMRY-DAXOMENPSA-N -1 3 338.415 2.101 20 30 EEEDHM CC[C@H](C#N)C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1 ZINC001603977889 1350817941 /nfs/dbraw/zinc/81/79/41/1350817941.db2.gz NBCVBWYWJBVANJ-SSDOTTSWSA-N -1 3 335.165 2.117 20 30 EEEDHM CC[C@H](C#N)C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1 ZINC001603977889 1350817945 /nfs/dbraw/zinc/81/79/45/1350817945.db2.gz NBCVBWYWJBVANJ-SSDOTTSWSA-N -1 3 335.165 2.117 20 30 EEEDHM COCCOc1cccc(C=NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC001605118351 1351081403 /nfs/dbraw/zinc/08/14/03/1351081403.db2.gz VJIYNVWEOZOGAO-UHFFFAOYSA-N -1 3 338.371 2.338 20 30 EEEDHM COCCOc1cccc(C=NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC001605118351 1351081404 /nfs/dbraw/zinc/08/14/04/1351081404.db2.gz VJIYNVWEOZOGAO-UHFFFAOYSA-N -1 3 338.371 2.338 20 30 EEEDHM Cc1nsc(N(C)C(=O)c2cc(-c3nnn[n-]3)ccc2C)c1C#N ZINC001605789786 1351223232 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COc1cccc(C[C@H](NCc2ccc(F)cc2C#N)C(=O)[O-])c1 ZINC001607321619 1351473510 /nfs/dbraw/zinc/47/35/10/1351473510.db2.gz KOVGHRLLZHAAHX-KRWDZBQOSA-N -1 3 328.343 2.491 20 30 EEEDHM N#Cc1ccc([C@@H](OC(=O)C2CCN(C3CC3)CC2)C(=O)[O-])cc1 ZINC001608202488 1351646208 /nfs/dbraw/zinc/64/62/08/1351646208.db2.gz PVQKAPOTPCQVNW-MRXNPFEDSA-N -1 3 328.368 2.102 20 30 EEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(OC)[C@H](C)CC)ccc1F ZINC000830474772 1372329706 /nfs/dbraw/zinc/32/97/06/1372329706.db2.gz OFJYIQVECWDBQG-LLVKDONJSA-N -1 3 344.408 2.092 20 30 EEEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3cc(=O)[n-]cn3)cn2)cc1 ZINC001141754311 1372919282 /nfs/dbraw/zinc/91/92/82/1372919282.db2.gz XMJUBMKZKAALME-UHFFFAOYSA-N -1 3 333.307 2.493 20 30 EEEDHM C[C@H]1Cc2cccc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c2O1 ZINC001576386224 1403569814 /nfs/dbraw/zinc/56/98/14/1403569814.db2.gz SJCPNFQTJZEGGB-JTQLQIEISA-N -1 3 346.350 2.314 20 30 EEEDHM C[C@H]1Cc2cccc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c2O1 ZINC001576386224 1403569819 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COc1cccc(C(=O)Nc2ccc(NC(C)=O)c(C#N)c2)c1[O-] ZINC001148203010 792272836 /nfs/dbraw/zinc/27/28/36/792272836.db2.gz WCEQXPKUISESGJ-UHFFFAOYSA-N -1 3 325.324 2.483 20 30 EEEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cnc(F)c(OCc2ccccc2)c1 ZINC001171365994 793216788 /nfs/dbraw/zinc/21/67/88/793216788.db2.gz PJYQVVRJNFOXMD-NHYWBVRUSA-N -1 3 331.347 2.448 20 30 EEEDHM C[C@H](C[C@H](C)NC(=O)c1ccccc1[O-])Nc1ccc(C#N)nn1 ZINC001089244000 793583387 /nfs/dbraw/zinc/58/33/87/793583387.db2.gz LSJAZAPVHYLDNP-NEPJUHHUSA-N -1 3 325.372 2.063 20 30 EEEDHM N#Cc1cnc(NC2CCC(NC(=O)c3ccccc3[O-])CC2)cn1 ZINC001060566301 796516864 /nfs/dbraw/zinc/51/68/64/796516864.db2.gz LWNMLAKXPNRZAH-UHFFFAOYSA-N -1 3 337.383 2.207 20 30 EEEDHM N#Cc1nccnc1NCCCCCCNC(=O)c1ccccc1[O-] ZINC001094927031 797037373 /nfs/dbraw/zinc/03/73/73/797037373.db2.gz NYBJYCNRMNFCJW-UHFFFAOYSA-N -1 3 339.399 2.456 20 30 EEEDHM Cc1ccc(NC(=S)NN=Cc2c([O-])c(C)ncc2CO)cc1 ZINC000915923221 797449877 /nfs/dbraw/zinc/44/98/77/797449877.db2.gz HAPSRBUYMRUESC-UHFFFAOYSA-N -1 3 330.413 2.217 20 30 EEEDHM C=CCCC(=O)N1CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095254063 797602547 /nfs/dbraw/zinc/60/25/47/797602547.db2.gz GVOMJVKRCWCRLL-UHFFFAOYSA-N -1 3 334.376 2.312 20 30 EEEDHM CCOC(=O)c1cc(C#N)c(NC(=O)CC(=O)OC(C)C)c(C)c1[O-] ZINC001184452382 802039729 /nfs/dbraw/zinc/03/97/29/802039729.db2.gz FRYXZFRHTNEYPT-UHFFFAOYSA-N -1 3 348.355 2.029 20 30 EEEDHM N#Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)ccc1F ZINC001129728346 810972683 /nfs/dbraw/zinc/97/26/83/810972683.db2.gz KVDWWYKDFTWGLD-UHFFFAOYSA-N -1 3 326.266 2.269 20 30 EEEDHM N#Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)ccc1F ZINC001129728346 810972687 /nfs/dbraw/zinc/97/26/87/810972687.db2.gz KVDWWYKDFTWGLD-UHFFFAOYSA-N -1 3 326.266 2.269 20 30 EEEDHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1sccc1C#N ZINC001573552694 946877293 /nfs/dbraw/zinc/87/72/93/946877293.db2.gz AIOZQFUPIIWSEF-UHFFFAOYSA-N -1 3 338.352 2.255 20 30 EEEDHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1sccc1C#N ZINC001573552694 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N#CCc1ccccc1CC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001528094119 948542089 /nfs/dbraw/zinc/54/20/89/948542089.db2.gz WLVVWXOAVXVWBM-UHFFFAOYSA-N -1 3 336.330 2.253 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1NC(=O)c1csc(C#N)c1 ZINC001570927132 948703979 /nfs/dbraw/zinc/70/39/79/948703979.db2.gz LBUHZZUXKRROCL-UHFFFAOYSA-N -1 3 326.341 2.061 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1NC(=O)c1csc(C#N)c1 ZINC001570927132 948703980 /nfs/dbraw/zinc/70/39/80/948703980.db2.gz LBUHZZUXKRROCL-UHFFFAOYSA-N -1 3 326.341 2.061 20 30 EEEDHM N#Cc1ccnc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC001570929175 948755719 /nfs/dbraw/zinc/75/57/19/948755719.db2.gz ORYADWMDSFFPIG-UHFFFAOYSA-N -1 3 331.383 2.298 20 30 EEEDHM CCC(=O)c1cccc(-c2nnn[n-]2)c1OCc1cc(C#N)ccn1 ZINC001570935299 948975138 /nfs/dbraw/zinc/97/51/38/948975138.db2.gz QYUIROMGGVTHAZ-UHFFFAOYSA-N -1 3 334.339 2.305 20 30 EEEDHM CCC(=O)c1cccc(-c2nn[n-]n2)c1OCc1cc(C#N)ccn1 ZINC001570935299 948975145 /nfs/dbraw/zinc/97/51/45/948975145.db2.gz QYUIROMGGVTHAZ-UHFFFAOYSA-N 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C=CCC1(C(=O)OCc2ccc(-c3nn[n-]n3)c(F)c2)CCOCC1 ZINC001609053061 1351825169 /nfs/dbraw/zinc/82/51/69/1351825169.db2.gz APRCHFFCHVBMMA-UHFFFAOYSA-N -1 3 346.362 2.422 20 30 EEEDHM C=CCCC[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609053277 1351825755 /nfs/dbraw/zinc/82/57/55/1351825755.db2.gz FGCCJPYMXKZPDM-SNVBAGLBSA-N -1 3 339.396 2.029 20 30 EEEDHM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609057213 1351826751 /nfs/dbraw/zinc/82/67/51/1351826751.db2.gz DRDLQKLGTHRVBF-UHFFFAOYSA-N -1 3 341.396 2.248 20 30 EEEDHM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609057213 1351826754 /nfs/dbraw/zinc/82/67/54/1351826754.db2.gz DRDLQKLGTHRVBF-UHFFFAOYSA-N -1 3 341.396 2.248 20 30 EEEDHM CC(C)CCCNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609094084 1351839915 /nfs/dbraw/zinc/83/99/15/1351839915.db2.gz GDGJURWDYYKGNH-OAHLLOKOSA-N -1 3 326.404 2.101 20 30 EEEDHM CN(C(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1)C1(C#N)CCC1 ZINC001609261737 1351913825 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N#Cc1ccc(C(=O)N(c2ccccc2-c2nnn[n-]2)C2CCC2)cn1 ZINC001581870581 1344682832 /nfs/dbraw/zinc/68/28/32/1344682832.db2.gz JBASSZGSGQAQPB-UHFFFAOYSA-N -1 3 345.366 2.333 20 30 EEEDHM N#Cc1ccc(C(=O)N(c2ccccc2-c2nn[n-]n2)C2CCC2)cn1 ZINC001581870581 1344682838 /nfs/dbraw/zinc/68/28/38/1344682838.db2.gz JBASSZGSGQAQPB-UHFFFAOYSA-N -1 3 345.366 2.333 20 30 EEEDHM C#C[C@H]1CCCCN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC001588332792 1348890181 /nfs/dbraw/zinc/89/01/81/1348890181.db2.gz SGJDELNSMPVXAU-ZDUSSCGKSA-N -1 3 341.419 2.443 20 30 EEEDHM C#C[C@H]1CCCCN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC001588332792 1348890186 /nfs/dbraw/zinc/89/01/86/1348890186.db2.gz SGJDELNSMPVXAU-ZDUSSCGKSA-N -1 3 341.419 2.443 20 30 EEEDHM C#CC1(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001588333327 1348891695 /nfs/dbraw/zinc/89/16/95/1348891695.db2.gz MCFCDTUFTJNISB-UHFFFAOYSA-N -1 3 341.440 2.162 20 30 EEEDHM C#CC1(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588333327 1348891697 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2.171 20 30 EEEDHM C=C[C@H](CC)CC(=O)N[C@H](C)CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001588520429 1348912340 /nfs/dbraw/zinc/91/23/40/1348912340.db2.gz BEMPOBDNDZEZBJ-CHWSQXEVSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCC(C)(C)CNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001588539737 1348914643 /nfs/dbraw/zinc/91/46/43/1348914643.db2.gz XMQZJROEAYAHIL-UHFFFAOYSA-N -1 3 332.383 2.407 20 30 EEEDHM C=CCC(C)(C)CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001588539737 1348914645 /nfs/dbraw/zinc/91/46/45/1348914645.db2.gz XMQZJROEAYAHIL-UHFFFAOYSA-N -1 3 332.383 2.407 20 30 EEEDHM C=CCCCC(=O)N1CCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001588588416 1348922310 /nfs/dbraw/zinc/92/23/10/1348922310.db2.gz NCDUOZRXGTYMCT-CYBMUJFWSA-N -1 3 341.419 2.021 20 30 EEEDHM C=CCCCC(=O)N1CCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001588588416 1348922315 /nfs/dbraw/zinc/92/23/15/1348922315.db2.gz NCDUOZRXGTYMCT-CYBMUJFWSA-N -1 3 341.419 2.021 20 30 EEEDHM C=CCCO[C@@H](C)C(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588608985 1348923356 /nfs/dbraw/zinc/92/33/56/1348923356.db2.gz GYNDOCXVZVSYJO-OLZOCXBDSA-N -1 3 329.404 2.367 20 30 EEEDHM C=CCCO[C@@H](C)C(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588608985 1348923360 /nfs/dbraw/zinc/92/33/60/1348923360.db2.gz GYNDOCXVZVSYJO-OLZOCXBDSA-N -1 3 329.404 2.367 20 30 EEEDHM C=CCN(Cc1c(Cl)cnn1C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588647739 1348926194 /nfs/dbraw/zinc/92/61/94/1348926194.db2.gz BKQMNJXKPHXUIS-UHFFFAOYSA-N -1 3 343.822 2.442 20 30 EEEDHM C=CCN(Cc1c(Cl)cnn1C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588647739 1348926197 /nfs/dbraw/zinc/92/61/97/1348926197.db2.gz BKQMNJXKPHXUIS-UHFFFAOYSA-N -1 3 343.822 2.442 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NOCC1CCC1 ZINC001588649616 1348926919 /nfs/dbraw/zinc/92/69/19/1348926919.db2.gz VEWHQIDNLXFEKT-UHFFFAOYSA-N -1 3 342.403 2.296 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NOCC1CCC1 ZINC001588649616 1348926925 /nfs/dbraw/zinc/92/69/25/1348926925.db2.gz VEWHQIDNLXFEKT-UHFFFAOYSA-N -1 3 342.403 2.296 20 30 EEEDHM C=CCOCCCOC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588682507 1348929424 /nfs/dbraw/zinc/92/94/24/1348929424.db2.gz GLZRVGDAJLUAEY-UHFFFAOYSA-N -1 3 328.372 2.034 20 30 EEEDHM C=CCOCCCOC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588682507 1348929427 /nfs/dbraw/zinc/92/94/27/1348929427.db2.gz GLZRVGDAJLUAEY-UHFFFAOYSA-N -1 3 328.372 2.034 20 30 EEEDHM C=CCSCCNc1c(-c2nnn[n-]2)cnc2ccc(C)cc21 ZINC001588695267 1348930105 /nfs/dbraw/zinc/93/01/05/1348930105.db2.gz SBWYWOSNBJKRIP-UHFFFAOYSA-N -1 3 326.429 2.476 20 30 EEEDHM C=CCSCCNc1c(-c2nn[n-]n2)cnc2ccc(C)cc21 ZINC001588695267 1348930110 /nfs/dbraw/zinc/93/01/10/1348930110.db2.gz SBWYWOSNBJKRIP-UHFFFAOYSA-N -1 3 326.429 2.476 20 30 EEEDHM CC(=NN[C@@H]1CCOC(C)(C)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588776635 1348935001 /nfs/dbraw/zinc/93/50/01/1348935001.db2.gz YWNXYNRGESFTQK-GFCCVEGCSA-N -1 3 332.383 2.277 20 30 EEEDHM CC(=NN[C@@H]1CCOC(C)(C)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588776635 1348935006 /nfs/dbraw/zinc/93/50/06/1348935006.db2.gz YWNXYNRGESFTQK-GFCCVEGCSA-N -1 3 332.383 2.277 20 30 EEEDHM C[C@@](O)(CNc1c(C#N)cccc1-c1nnn[n-]1)C1CCCCC1 ZINC001589991887 1349097097 /nfs/dbraw/zinc/09/70/97/1349097097.db2.gz TZCZZVAEHMYUJX-QGZVFWFLSA-N -1 3 326.404 2.482 20 30 EEEDHM C[C@@](O)(CNc1c(C#N)cccc1-c1nn[n-]n1)C1CCCCC1 ZINC001589991887 1349097103 /nfs/dbraw/zinc/09/71/03/1349097103.db2.gz TZCZZVAEHMYUJX-QGZVFWFLSA-N -1 3 326.404 2.482 20 30 EEEDHM CCC(C#N)(CC)C(=O)OCc1cc(-c2nnn[n-]2)ccc1OC ZINC001590367811 1349287057 /nfs/dbraw/zinc/28/70/57/1349287057.db2.gz ZGJUUGPEOCQWCM-UHFFFAOYSA-N -1 3 329.360 2.248 20 30 EEEDHM CCC(C#N)(CC)C(=O)OCc1cc(-c2nn[n-]n2)ccc1OC ZINC001590367811 1349287062 /nfs/dbraw/zinc/28/70/62/1349287062.db2.gz ZGJUUGPEOCQWCM-UHFFFAOYSA-N -1 3 329.360 2.248 20 30 EEEDHM COc1cc(Oc2ccc(C#N)cc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591555009 1349505557 /nfs/dbraw/zinc/50/55/57/1349505557.db2.gz PNWNVGTZXAAXCN-UHFFFAOYSA-N -1 3 338.283 2.447 20 30 EEEDHM COc1cc(Oc2ccc(C#N)cc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591555009 1349505564 /nfs/dbraw/zinc/50/55/64/1349505564.db2.gz PNWNVGTZXAAXCN-UHFFFAOYSA-N -1 3 338.283 2.447 20 30 EEEDHM Cc1cc(C=CC(=O)c2cn3cccnc3n2)ccc1-c1nnn[n-]1 ZINC001591958906 1349568581 /nfs/dbraw/zinc/56/85/81/1349568581.db2.gz IAMDZGKEULUZNO-XQRVVYSFSA-N -1 3 331.339 2.114 20 30 EEEDHM Cc1cc(C=CC(=O)c2cn3cccnc3n2)ccc1-c1nn[n-]n1 ZINC001591958906 1349568589 /nfs/dbraw/zinc/56/85/89/1349568589.db2.gz IAMDZGKEULUZNO-XQRVVYSFSA-N -1 3 331.339 2.114 20 30 EEEDHM Cc1nc(C)c(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)o1 ZINC001592357341 1349624248 /nfs/dbraw/zinc/62/42/48/1349624248.db2.gz QLKRWZMDXLIAGZ-SREVYHEPSA-N -1 3 338.371 2.424 20 30 EEEDHM Cc1nc(C)c(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)o1 ZINC001592357341 1349624253 /nfs/dbraw/zinc/62/42/53/1349624253.db2.gz QLKRWZMDXLIAGZ-SREVYHEPSA-N -1 3 338.371 2.424 20 30 EEEDHM N#Cc1ccc([C@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3)CCO2)cc1 ZINC001592692013 1349706192 /nfs/dbraw/zinc/70/61/92/1349706192.db2.gz NSQOBPIHVZDWOJ-GOSISDBHSA-N -1 3 346.394 2.312 20 30 EEEDHM N#Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Cl)o1 ZINC001592691118 1349706647 /nfs/dbraw/zinc/70/66/47/1349706647.db2.gz IECFOUBWTNDWGL-UHFFFAOYSA-N -1 3 329.703 2.342 20 30 EEEDHM N#Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Cl)o1 ZINC001592691118 1349706648 /nfs/dbraw/zinc/70/66/48/1349706648.db2.gz IECFOUBWTNDWGL-UHFFFAOYSA-N -1 3 329.703 2.342 20 30 EEEDHM N#Cc1ccc2c(c1)CC[C@H]2Nc1nc2ccccn2c1-c1nnn[n-]1 ZINC001592697748 1349707692 /nfs/dbraw/zinc/70/76/92/1349707692.db2.gz PWGAUCUYNXNAPX-CQSZACIVSA-N -1 3 342.366 2.485 20 30 EEEDHM N#Cc1ccc2c(c1)CC[C@H]2Nc1nc2ccccn2c1-c1nn[n-]n1 ZINC001592697748 1349707693 /nfs/dbraw/zinc/70/76/93/1349707693.db2.gz PWGAUCUYNXNAPX-CQSZACIVSA-N -1 3 342.366 2.485 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1SCC(=O)Nc1ccccc1 ZINC001592700681 1349708734 /nfs/dbraw/zinc/70/87/34/1349708734.db2.gz PDRCCXAWGIVNSE-UHFFFAOYSA-N -1 3 336.380 2.469 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1SCC(=O)Nc1ccccc1 ZINC001592700681 1349708738 /nfs/dbraw/zinc/70/87/38/1349708738.db2.gz PDRCCXAWGIVNSE-UHFFFAOYSA-N -1 3 336.380 2.469 20 30 EEEDHM N#Cc1cccc2c1CN(C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C2 ZINC001592703237 1349709033 /nfs/dbraw/zinc/70/90/33/1349709033.db2.gz KQRYKYUVCSEWNB-UHFFFAOYSA-N -1 3 349.329 2.425 20 30 EEEDHM N#Cc1cccc2c1CN(C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C2 ZINC001592703237 1349709037 /nfs/dbraw/zinc/70/90/37/1349709037.db2.gz KQRYKYUVCSEWNB-UHFFFAOYSA-N -1 3 349.329 2.425 20 30 EEEDHM N#Cc1nc(C(=O)[O-])ccc1N1CCCN(Cc2ccccc2)CC1 ZINC001601132906 1350218336 /nfs/dbraw/zinc/21/83/36/1350218336.db2.gz HFDBPUMQLMMJFJ-UHFFFAOYSA-N -1 3 336.395 2.364 20 30 EEEDHM C=C(C)CCC(=O)NCC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001602760092 1350583087 /nfs/dbraw/zinc/58/30/87/1350583087.db2.gz ZARKRGZAFULQCC-NSHDSACASA-N -1 3 347.398 2.064 20 30 EEEDHM C=C(C)CCC(=O)NCC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001602760092 1350583091 /nfs/dbraw/zinc/58/30/91/1350583091.db2.gz ZARKRGZAFULQCC-NSHDSACASA-N -1 3 347.398 2.064 20 30 EEEDHM C=CC(C)(C)CC(=O)N[C@H](C)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001602786636 1350586021 /nfs/dbraw/zinc/58/60/21/1350586021.db2.gz BEGZPITVXKGCLY-LLVKDONJSA-N -1 3 343.435 2.089 20 30 EEEDHM C=CC(C)(C)CC(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001602786636 1350586027 /nfs/dbraw/zinc/58/60/27/1350586027.db2.gz BEGZPITVXKGCLY-LLVKDONJSA-N -1 3 343.435 2.089 20 30 EEEDHM C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001602808443 1350589815 /nfs/dbraw/zinc/58/98/15/1350589815.db2.gz FBDLQKTXJJONBK-RYUDHWBXSA-N -1 3 343.435 2.169 20 30 EEEDHM C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001602808443 1350589820 /nfs/dbraw/zinc/58/98/20/1350589820.db2.gz FBDLQKTXJJONBK-RYUDHWBXSA-N -1 3 343.435 2.169 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C(N)=O)c1ccccc1 ZINC001602858433 1350597047 /nfs/dbraw/zinc/59/70/47/1350597047.db2.gz QCLSSWFQTHFRGH-QGZVFWFLSA-N -1 3 348.410 2.081 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C(N)=O)c1ccccc1 ZINC001602858433 1350597048 /nfs/dbraw/zinc/59/70/48/1350597048.db2.gz QCLSSWFQTHFRGH-QGZVFWFLSA-N -1 3 348.410 2.081 20 30 EEEDHM CC(C)(NC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc(C#N)c1 ZINC001603164626 1350653563 /nfs/dbraw/zinc/65/35/63/1350653563.db2.gz HSSPLLMCNGRIJW-UHFFFAOYSA-N -1 3 338.396 2.465 20 30 EEEDHM CC(C)(NC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc(C#N)c1 ZINC001603164626 1350653566 /nfs/dbraw/zinc/65/35/66/1350653566.db2.gz HSSPLLMCNGRIJW-UHFFFAOYSA-N -1 3 338.396 2.465 20 30 EEEDHM CC(C)C#CC(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001603189527 1350659526 /nfs/dbraw/zinc/65/95/26/1350659526.db2.gz ODMKGLRRZSRSOO-CYBMUJFWSA-N -1 3 337.305 2.246 20 30 EEEDHM CC(C)C#CC(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001603189527 1350659531 /nfs/dbraw/zinc/65/95/31/1350659531.db2.gz ODMKGLRRZSRSOO-CYBMUJFWSA-N -1 3 337.305 2.246 20 30 EEEDHM CC(C)[C@H](C)N(C)C(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603210049 1350662896 /nfs/dbraw/zinc/66/28/96/1350662896.db2.gz AJOWJLKWPJAQCO-SWLSCSKDSA-N -1 3 326.404 2.052 20 30 EEEDHM C[C@H](NC(=O)Nc1cccc(C#N)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC001603633021 1350731548 /nfs/dbraw/zinc/73/15/48/1350731548.db2.gz BYLCLDWFHKQSRI-JTQLQIEISA-N -1 3 334.343 2.016 20 30 EEEDHM C[C@H](NC(=O)Nc1cccc(C#N)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603633021 1350731554 /nfs/dbraw/zinc/73/15/54/1350731554.db2.gz BYLCLDWFHKQSRI-JTQLQIEISA-N -1 3 334.343 2.016 20 30 EEEDHM C[C@H]1CC(NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)C[C@H](C)O1 ZINC001603861919 1350785408 /nfs/dbraw/zinc/78/54/08/1350785408.db2.gz OLSWJGYYJGBFOK-QWRGUYRKSA-N -1 3 339.403 2.228 20 30 EEEDHM C[C@H]1CC(NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)C[C@H](C)O1 ZINC001603861919 1350785410 /nfs/dbraw/zinc/78/54/10/1350785410.db2.gz OLSWJGYYJGBFOK-QWRGUYRKSA-N -1 3 339.403 2.228 20 30 EEEDHM CN(C(=O)c1cccc(C#N)n1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC001604658729 1350979630 /nfs/dbraw/zinc/97/96/30/1350979630.db2.gz WXRNMLGFYMWYCO-UHFFFAOYSA-N -1 3 339.746 2.063 20 30 EEEDHM CN(C(=O)c1cccc(C#N)n1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC001604658729 1350979631 /nfs/dbraw/zinc/97/96/31/1350979631.db2.gz WXRNMLGFYMWYCO-UHFFFAOYSA-N -1 3 339.746 2.063 20 30 EEEDHM Cc1c2cc(-c3nnn[n-]3)ccc2sc1C(=O)N[C@H](C)CC#N ZINC001605474196 1351165594 /nfs/dbraw/zinc/16/55/94/1351165594.db2.gz XIPQJDUWKBWVLP-MRVPVSSYSA-N -1 3 326.385 2.422 20 30 EEEDHM Cc1c2cc(-c3nn[n-]n3)ccc2sc1C(=O)N[C@H](C)CC#N ZINC001605474196 1351165596 /nfs/dbraw/zinc/16/55/96/1351165596.db2.gz XIPQJDUWKBWVLP-MRVPVSSYSA-N -1 3 326.385 2.422 20 30 EEEDHM Cc1ncsc1C=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001606103244 1351271325 /nfs/dbraw/zinc/27/13/25/1351271325.db2.gz FHXUUJIEUNRHHN-SNAWJCMRSA-N -1 3 337.368 2.155 20 30 EEEDHM Cc1ncsc1C=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001606103244 1351271327 /nfs/dbraw/zinc/27/13/27/1351271327.db2.gz FHXUUJIEUNRHHN-SNAWJCMRSA-N -1 3 337.368 2.155 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC(c2ncc(C3CC3)cn2)C1 ZINC001606381243 1351299286 /nfs/dbraw/zinc/29/92/86/1351299286.db2.gz KBXFIESMKZJRGY-UHFFFAOYSA-N -1 3 344.382 2.010 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC(c2ncc(C3CC3)cn2)C1 ZINC001606381243 1351299287 /nfs/dbraw/zinc/29/92/87/1351299287.db2.gz KBXFIESMKZJRGY-UHFFFAOYSA-N -1 3 344.382 2.010 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001606381849 1351299330 /nfs/dbraw/zinc/29/93/30/1351299330.db2.gz VLIRSBWYDUBKNN-UONOGXRCSA-N -1 3 338.415 2.381 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001606381849 1351299333 /nfs/dbraw/zinc/29/93/33/1351299333.db2.gz VLIRSBWYDUBKNN-UONOGXRCSA-N -1 3 338.415 2.381 20 30 EEEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)co1 ZINC000781447711 1371231974 /nfs/dbraw/zinc/23/19/74/1371231974.db2.gz HLCYCEMALOBESS-CYBMUJFWSA-N -1 3 326.308 2.320 20 30 EEEDHM C=C(Cl)CN(C)CCCN(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001368560405 1374435973 /nfs/dbraw/zinc/43/59/73/1374435973.db2.gz PSWCVKIGTQMXAI-UHFFFAOYSA-N -1 3 338.839 2.206 20 30 EEEDHM C=C(Cl)CN(C)[C@@H](C)CNC(=O)c1nnc2ccccc2c1[O-] ZINC001394113447 1390617978 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C=CCN(C)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1CC(C)C ZINC001588626621 1348924321 /nfs/dbraw/zinc/92/43/21/1348924321.db2.gz NEPQHCNJQCWFJD-UHFFFAOYSA-N -1 3 338.419 2.403 20 30 EEEDHM C=CCN(C)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1CC(C)C ZINC001588626621 1348924322 /nfs/dbraw/zinc/92/43/22/1348924322.db2.gz NEPQHCNJQCWFJD-UHFFFAOYSA-N -1 3 338.419 2.403 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccn(C)c1C ZINC001588649040 1348927487 /nfs/dbraw/zinc/92/74/87/1348927487.db2.gz XQXVTWUBOJKOJW-UHFFFAOYSA-N -1 3 336.399 2.342 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccn(C)c1C ZINC001588649040 1348927491 /nfs/dbraw/zinc/92/74/91/1348927491.db2.gz XQXVTWUBOJKOJW-UHFFFAOYSA-N -1 3 336.399 2.342 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588718285 1348930572 /nfs/dbraw/zinc/93/05/72/1348930572.db2.gz GKWSDZDSVCTNQR-YPMHNXCESA-N -1 3 333.779 2.074 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588718285 1348930578 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EEEDHM C[C@@]1(C#N)CCN(c2ccc(-c3nnn[n-]3)c(Br)c2)C1 ZINC001590056239 1349134676 /nfs/dbraw/zinc/13/46/76/1349134676.db2.gz CFZVVJRXABMFSS-ZDUSSCGKSA-N -1 3 333.193 2.369 20 30 EEEDHM C[C@@]1(C#N)CCN(c2ccc(-c3nn[n-]n3)c(Br)c2)C1 ZINC001590056239 1349134687 /nfs/dbraw/zinc/13/46/87/1349134687.db2.gz CFZVVJRXABMFSS-ZDUSSCGKSA-N -1 3 333.193 2.369 20 30 EEEDHM C[C@]1(C#N)CN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC001590056243 1349134407 /nfs/dbraw/zinc/13/44/07/1349134407.db2.gz CJRSIEMHTFAUJM-ZDUSSCGKSA-N -1 3 338.293 2.004 20 30 EEEDHM C[C@]1(C#N)CN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC001590056243 1349134414 /nfs/dbraw/zinc/13/44/14/1349134414.db2.gz CJRSIEMHTFAUJM-ZDUSSCGKSA-N -1 3 338.293 2.004 20 30 EEEDHM CC1=C(C)CN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001590159827 1349181008 /nfs/dbraw/zinc/18/10/08/1349181008.db2.gz LPSXFPLVNPLTRI-MRXNPFEDSA-N -1 3 336.399 2.118 20 30 EEEDHM C[C@@H]1CC[C@H](C)N(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590227844 1349213072 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WAZNHPLPKJFNTA-UHFFFAOYSA-N -1 3 329.161 2.351 20 30 EEEDHM N#Cc1cc(F)cc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001606361384 1351297230 /nfs/dbraw/zinc/29/72/30/1351297230.db2.gz GDRXNFNPYFIGJV-UHFFFAOYSA-N -1 3 336.330 2.449 20 30 EEEDHM N#Cc1cc(F)cc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001606361384 1351297235 /nfs/dbraw/zinc/29/72/35/1351297235.db2.gz GDRXNFNPYFIGJV-UHFFFAOYSA-N -1 3 336.330 2.449 20 30 EEEDHM N#Cc1ccc(F)c(CN2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)c1 ZINC001608206770 1351647441 /nfs/dbraw/zinc/64/74/41/1351647441.db2.gz MMTPIBPFNIOHMQ-SFHVURJKSA-N -1 3 332.375 2.279 20 30 EEEDHM CN(CC(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1[N+](=O)[O-] ZINC000079700734 1355112721 /nfs/dbraw/zinc/11/27/21/1355112721.db2.gz OBMJWIJKNBPRJP-UHFFFAOYSA-N -1 3 344.253 2.456 20 30 EEEDHM CN(CC(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1[N+](=O)[O-] ZINC000079700734 1355112724 /nfs/dbraw/zinc/11/27/24/1355112724.db2.gz OBMJWIJKNBPRJP-UHFFFAOYSA-N -1 3 344.253 2.456 20 30 EEEDHM 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COc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1F ZINC000737072672 578236420 /nfs/dbraw/zinc/23/64/20/578236420.db2.gz VLRCWKKMVVMRJN-UHFFFAOYSA-N -1 3 338.302 2.138 20 30 EEEDHM COc1cccc([C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000737120470 578239453 /nfs/dbraw/zinc/23/94/53/578239453.db2.gz BJNMTSZYXWLBLO-NSHDSACASA-N -1 3 348.366 2.489 20 30 EEEDHM COc1cccc([C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000737120470 578239454 /nfs/dbraw/zinc/23/94/54/578239454.db2.gz BJNMTSZYXWLBLO-NSHDSACASA-N -1 3 348.366 2.489 20 30 EEEDHM Cc1c(C(=O)C=Cc2nccs2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201654 578243533 /nfs/dbraw/zinc/24/35/33/578243533.db2.gz FVLRDVVLJUOSKD-SNAWJCMRSA-N -1 3 326.385 2.275 20 30 EEEDHM Cc1c(C(=O)C=Cc2nccs2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201654 578243534 /nfs/dbraw/zinc/24/35/34/578243534.db2.gz FVLRDVVLJUOSKD-SNAWJCMRSA-N -1 3 326.385 2.275 20 30 EEEDHM CCOCCC1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CCC1 ZINC000821373967 607315860 /nfs/dbraw/zinc/31/58/60/607315860.db2.gz PMFQABJICWYNBI-UHFFFAOYSA-N -1 3 340.387 2.274 20 30 EEEDHM CCOCCC1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCC1 ZINC000821373967 607315861 /nfs/dbraw/zinc/31/58/61/607315861.db2.gz PMFQABJICWYNBI-UHFFFAOYSA-N -1 3 340.387 2.274 20 30 EEEDHM O=C1C(=NNc2cccc(-c3nnn[n-]3)c2)CCN1Cc1ccccc1 ZINC000823504539 599336434 /nfs/dbraw/zinc/33/64/34/599336434.db2.gz RDRACKYLQRHYEU-UHFFFAOYSA-N -1 3 347.382 2.067 20 30 EEEDHM O=C1C(=NNc2cccc(-c3nn[n-]n3)c2)CCN1Cc1ccccc1 ZINC000823504539 599336435 /nfs/dbraw/zinc/33/64/35/599336435.db2.gz RDRACKYLQRHYEU-UHFFFAOYSA-N -1 3 347.382 2.067 20 30 EEEDHM Clc1cncc(N=NC2CCCc3cc(-c4nnn[n-]4)ccc32)n1 ZINC000822590044 599338343 /nfs/dbraw/zinc/33/83/43/599338343.db2.gz GSGBTQMFUBBDPS-UHFFFAOYSA-N -1 3 340.778 2.463 20 30 EEEDHM Clc1cncc(N=NC2CCCc3cc(-c4nn[n-]n4)ccc32)n1 ZINC000822590044 599338345 /nfs/dbraw/zinc/33/83/45/599338345.db2.gz GSGBTQMFUBBDPS-UHFFFAOYSA-N -1 3 340.778 2.463 20 30 EEEDHM COc1ccc(C#N)cc1COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821769129 607420730 /nfs/dbraw/zinc/42/07/30/607420730.db2.gz DHSOIXYKXZZUGR-UHFFFAOYSA-N -1 3 341.352 2.165 20 30 EEEDHM COc1ccc(C#N)cc1COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821769129 607420732 /nfs/dbraw/zinc/42/07/32/607420732.db2.gz DHSOIXYKXZZUGR-UHFFFAOYSA-N -1 3 341.352 2.165 20 30 EEEDHM COc1ccc(COc2ccc(-c3nnn[n-]3)cc2OC)cc1C#N ZINC000826207467 607540262 /nfs/dbraw/zinc/54/02/62/607540262.db2.gz PABVKKBKXUWPAD-UHFFFAOYSA-N -1 3 337.339 2.335 20 30 EEEDHM COc1ccc(COc2ccc(-c3nn[n-]n3)cc2OC)cc1C#N ZINC000826207467 607540263 /nfs/dbraw/zinc/54/02/63/607540263.db2.gz PABVKKBKXUWPAD-UHFFFAOYSA-N -1 3 337.339 2.335 20 30 EEEDHM CN(C(=O)CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1)C1(C#N)CCCCC1 ZINC000833684907 604943242 /nfs/dbraw/zinc/94/32/42/604943242.db2.gz XZAVROWWLTUHOD-OAHLLOKOSA-N -1 3 349.475 2.494 20 30 EEEDHM C[C@@H]1CCCC[C@@H]1NC(=S)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000820703694 606203725 /nfs/dbraw/zinc/20/37/25/606203725.db2.gz JRMUABXJYGSBMA-SKDRFNHKSA-N -1 3 349.489 2.305 20 30 EEEDHM C[C@@H]1CCCC[C@@H]1NC(=S)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000820703694 606203727 /nfs/dbraw/zinc/20/37/27/606203727.db2.gz JRMUABXJYGSBMA-SKDRFNHKSA-N -1 3 349.489 2.305 20 30 EEEDHM CCOC(=O)c1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821343484 606237674 /nfs/dbraw/zinc/23/76/74/606237674.db2.gz OIZAQHVTUNOIII-UHFFFAOYSA-N -1 3 326.316 2.082 20 30 EEEDHM CCOC(=O)c1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821343484 606237675 /nfs/dbraw/zinc/23/76/75/606237675.db2.gz OIZAQHVTUNOIII-UHFFFAOYSA-N -1 3 326.316 2.082 20 30 EEEDHM C=CCCOCC(=O)Nc1cc(-c2nn[n-]n2)ccc1NCCC ZINC000819739795 606281364 /nfs/dbraw/zinc/28/13/64/606281364.db2.gz HYNVLWXBLLOOKH-UHFFFAOYSA-N -1 3 330.392 2.220 20 30 EEEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 ZINC000822623389 606406561 /nfs/dbraw/zinc/40/65/61/606406561.db2.gz UZEMCNQIZGCYQM-ZDUSSCGKSA-N -1 3 343.350 2.243 20 30 EEEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 ZINC000822623389 606406563 /nfs/dbraw/zinc/40/65/63/606406563.db2.gz UZEMCNQIZGCYQM-ZDUSSCGKSA-N -1 3 343.350 2.243 20 30 EEEDHM N#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(F)cc1 ZINC000822802082 606553945 /nfs/dbraw/zinc/55/39/45/606553945.db2.gz VCVFZWOTBSQUQQ-NSHDSACASA-N -1 3 328.332 2.062 20 30 EEEDHM N#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(F)cc1 ZINC000822802082 606553946 /nfs/dbraw/zinc/55/39/46/606553946.db2.gz VCVFZWOTBSQUQQ-NSHDSACASA-N -1 3 328.332 2.062 20 30 EEEDHM COc1ccc(C=NNCCc2ccccc2F)cc1-c1nnn[n-]1 ZINC000821787685 606990517 /nfs/dbraw/zinc/99/05/17/606990517.db2.gz XYEIPPMBVXDGOF-UHFFFAOYSA-N -1 3 340.362 2.181 20 30 EEEDHM COc1ccc(C=NNCCc2ccccc2F)cc1-c1nn[n-]n1 ZINC000821787685 606990519 /nfs/dbraw/zinc/99/05/19/606990519.db2.gz XYEIPPMBVXDGOF-UHFFFAOYSA-N -1 3 340.362 2.181 20 30 EEEDHM N#Cc1ccc(N2CCc3ccc(-c4nnn[n-]4)cc32)c([N+](=O)[O-])c1 ZINC000826385333 607935916 /nfs/dbraw/zinc/93/59/16/607935916.db2.gz HRAGTBSRXNVHEV-UHFFFAOYSA-N -1 3 333.311 2.341 20 30 EEEDHM N#Cc1ccc(N2CCc3ccc(-c4nn[n-]n4)cc32)c([N+](=O)[O-])c1 ZINC000826385333 607935917 /nfs/dbraw/zinc/93/59/17/607935917.db2.gz HRAGTBSRXNVHEV-UHFFFAOYSA-N -1 3 333.311 2.341 20 30 EEEDHM C#CC[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823838538 607956431 /nfs/dbraw/zinc/95/64/31/607956431.db2.gz QXUYKOHROBPUEL-KRWDZBQOSA-N -1 3 347.378 2.126 20 30 EEEDHM Brc1cncc(NN=Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823832884 607964616 /nfs/dbraw/zinc/96/46/16/607964616.db2.gz YARCESBTFPYHIQ-UHFFFAOYSA-N -1 3 344.176 2.470 20 30 EEEDHM Brc1cncc(NN=Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823832884 607964617 /nfs/dbraw/zinc/96/46/17/607964617.db2.gz YARCESBTFPYHIQ-UHFFFAOYSA-N -1 3 344.176 2.470 20 30 EEEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCC#N ZINC000825318735 608125712 /nfs/dbraw/zinc/12/57/12/608125712.db2.gz RHGKJUWPOWZOSG-UHFFFAOYSA-N -1 3 327.392 2.092 20 30 EEEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCC#N ZINC000825318735 608125713 /nfs/dbraw/zinc/12/57/13/608125713.db2.gz RHGKJUWPOWZOSG-UHFFFAOYSA-N -1 3 327.392 2.092 20 30 EEEDHM CN(Cc1cnc2ccc(C#N)cn12)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825961857 608526790 /nfs/dbraw/zinc/52/67/90/608526790.db2.gz NQBHFOJGMFTDQG-UHFFFAOYSA-N -1 3 344.382 2.018 20 30 EEEDHM COc1c(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(C)nn1C ZINC000826167156 609473964 /nfs/dbraw/zinc/47/39/64/609473964.db2.gz RHBPFSXAMIBQJO-UHFFFAOYSA-N -1 3 346.782 2.017 20 30 EEEDHM COc1c(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(C)nn1C ZINC000826167156 609473966 /nfs/dbraw/zinc/47/39/66/609473966.db2.gz RHBPFSXAMIBQJO-UHFFFAOYSA-N -1 3 346.782 2.017 20 30 EEEDHM COc1cccc(N=NC(C)c2ccc(-c3nnn[n-]3)c(F)c2)n1 ZINC000826216559 609522155 /nfs/dbraw/zinc/52/21/55/609522155.db2.gz DYAIMUQHLAVOQX-UHFFFAOYSA-N -1 3 327.323 2.246 20 30 EEEDHM COc1cccc(N=NC(C)c2ccc(-c3nn[n-]n3)c(F)c2)n1 ZINC000826216559 609522157 /nfs/dbraw/zinc/52/21/57/609522157.db2.gz DYAIMUQHLAVOQX-UHFFFAOYSA-N -1 3 327.323 2.246 20 30 EEEDHM C=CCN1CCCCC[C@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000969115568 674586641 /nfs/dbraw/zinc/58/66/41/674586641.db2.gz REVZQOOAADTIJX-LBPRGKRZSA-N -1 3 330.388 2.089 20 30 EEEDHM CC#CCN1CCCC[C@H]1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001024541011 680067871 /nfs/dbraw/zinc/06/78/71/680067871.db2.gz TZNXEGSWMHDDOO-HNNXBMFYSA-N -1 3 337.423 2.136 20 30 EEEDHM C=CCn1cccc1C(=O)N[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000973028471 681889338 /nfs/dbraw/zinc/88/93/38/681889338.db2.gz ZJBYPKUWCQEFFG-HDJSIYSDSA-N -1 3 339.395 2.071 20 30 EEEDHM N#Cc1cnc(N[C@@H]2CC[C@@H]3CN(C(=O)c4ccccc4[O-])C[C@H]23)cn1 ZINC001060500543 683910987 /nfs/dbraw/zinc/91/09/87/683910987.db2.gz UVPHWGLGLNGBTK-UHOFOFEASA-N -1 3 349.394 2.017 20 30 EEEDHM COc1cc(C(=O)/C=C\c2cnc(N(C)C)n2C)c(OC)cc1[O-] ZINC000840716023 686290689 /nfs/dbraw/zinc/29/06/89/686290689.db2.gz INLOQXVMBACNTC-SREVYHEPSA-N -1 3 331.372 2.105 20 30 EEEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccn(-c2ccc(F)cc2)n1 ZINC000125256009 686940318 /nfs/dbraw/zinc/94/03/18/686940318.db2.gz SIOOULQZQZPISI-CQSZACIVSA-N -1 3 349.325 2.368 20 30 EEEDHM Cc1ncc(CO)c(/C=N\C[C@H]2CCCN2CC(F)(F)F)c1[O-] ZINC000899225778 693670727 /nfs/dbraw/zinc/67/07/27/693670727.db2.gz DTPHNMOMSIRAJO-BSXPZDSASA-N -1 3 331.338 2.034 20 30 EEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)CC2CCC2)ccc1F ZINC000110468472 1192767134 /nfs/dbraw/zinc/76/71/34/1192767134.db2.gz PVSCAJWHGSAWNQ-UHFFFAOYSA-N -1 3 340.420 2.162 20 30 EEEDHM C#CCN(Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-])C(C)C ZINC000905743204 1189906267 /nfs/dbraw/zinc/90/62/67/1189906267.db2.gz LDGBWVLTNIMBPI-UHFFFAOYSA-N -1 3 344.455 2.271 20 30 EEEDHM C=C1CC(C)(C(=O)N2CC([C@@H](C)NC(=O)c3ccccc3[O-])C2)C1 ZINC001005718901 1196744700 /nfs/dbraw/zinc/74/47/00/1196744700.db2.gz DADHNXYIXQRYGF-CYBMUJFWSA-N -1 3 328.412 2.325 20 30 EEEDHM C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1[nH]c(C)c(C(=O)[O-])c1C ZINC001273172670 1197310555 /nfs/dbraw/zinc/31/05/55/1197310555.db2.gz RQDJKTQRCNXOCZ-HUUCEWRRSA-N -1 3 331.416 2.081 20 30 EEEDHM COCC(Cc1ccccc1)=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000814859270 1199767695 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ZINC001588527111 1348913847 /nfs/dbraw/zinc/91/38/47/1348913847.db2.gz BSODMDXDDQQHOQ-UHFFFAOYSA-N -1 3 344.371 2.296 20 30 EEEDHM C=CCCC(=O)NC1(CNc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001588571206 1348918799 /nfs/dbraw/zinc/91/87/99/1348918799.db2.gz HWIHTWYZJQWBHP-UHFFFAOYSA-N -1 3 341.419 2.069 20 30 EEEDHM C=CCCC(=O)NC1(CNc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001588571206 1348918802 /nfs/dbraw/zinc/91/88/02/1348918802.db2.gz HWIHTWYZJQWBHP-UHFFFAOYSA-N -1 3 341.419 2.069 20 30 EEEDHM C=CCCCC(=O)N(C)CCOCc1ccc(-c2nnn[n-]2)cc1 ZINC001588582647 1348920882 /nfs/dbraw/zinc/92/08/82/1348920882.db2.gz MZCPMQNTSMSVQT-UHFFFAOYSA-N -1 3 329.404 2.198 20 30 EEEDHM C=CCCCC(=O)N(C)CCOCc1ccc(-c2nn[n-]n2)cc1 ZINC001588582647 1348920884 /nfs/dbraw/zinc/92/08/84/1348920884.db2.gz MZCPMQNTSMSVQT-UHFFFAOYSA-N -1 3 329.404 2.198 20 30 EEEDHM C=CCCCC(=O)N[C@H](C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001588587255 1348920929 /nfs/dbraw/zinc/92/09/29/1348920929.db2.gz SDXVNJRRFIIQLF-QWHCGFSZSA-N -1 3 343.435 2.313 20 30 EEEDHM C=CCCCC(=O)N[C@H](C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001588587255 1348920931 /nfs/dbraw/zinc/92/09/31/1348920931.db2.gz SDXVNJRRFIIQLF-QWHCGFSZSA-N -1 3 343.435 2.313 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCCOCC1 ZINC001588639948 1348926352 /nfs/dbraw/zinc/92/63/52/1348926352.db2.gz XVSMBFMEPQRRON-HNNXBMFYSA-N -1 3 341.415 2.198 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCCOCC1 ZINC001588639948 1348926354 /nfs/dbraw/zinc/92/63/54/1348926354.db2.gz XVSMBFMEPQRRON-HNNXBMFYSA-N -1 3 341.415 2.198 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC001588728947 1348931401 /nfs/dbraw/zinc/93/14/01/1348931401.db2.gz ZGPHLNZNECGLMS-BDAKNGLRSA-N -1 3 326.282 2.036 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC001588728947 1348931404 /nfs/dbraw/zinc/93/14/04/1348931404.db2.gz ZGPHLNZNECGLMS-BDAKNGLRSA-N -1 3 326.282 2.036 20 30 EEEDHM CC(=NNC1C[C@@H](C)O[C@H](C)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588776606 1348935294 /nfs/dbraw/zinc/93/52/94/1348935294.db2.gz WJCRCKDTAJIZFU-NXEZZACHSA-N -1 3 332.383 2.275 20 30 EEEDHM CC(=NNC1C[C@@H](C)O[C@H](C)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588776606 1348935297 /nfs/dbraw/zinc/93/52/97/1348935297.db2.gz WJCRCKDTAJIZFU-NXEZZACHSA-N -1 3 332.383 2.275 20 30 EEEDHM CC(C)n1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)nn1 ZINC001589782227 1349040693 /nfs/dbraw/zinc/04/06/93/1349040693.db2.gz OJCHIMITGTYBAB-UHFFFAOYSA-N -1 3 331.771 2.139 20 30 EEEDHM CC(C)n1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)nn1 ZINC001589782227 1349040699 /nfs/dbraw/zinc/04/06/99/1349040699.db2.gz OJCHIMITGTYBAB-UHFFFAOYSA-N -1 3 331.771 2.139 20 30 EEEDHM CN(Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1csc(C#N)c1 ZINC001591128096 1349439221 /nfs/dbraw/zinc/43/92/21/1349439221.db2.gz MCHFOBDYVDKYBZ-UHFFFAOYSA-N -1 3 330.398 2.134 20 30 EEEDHM CN(Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1csc(C#N)c1 ZINC001591128096 1349439227 /nfs/dbraw/zinc/43/92/27/1349439227.db2.gz MCHFOBDYVDKYBZ-UHFFFAOYSA-N -1 3 330.398 2.134 20 30 EEEDHM COc1cc(OC)c2ncc(-c3nnn[n-]3)c(NC[C@@H](C)C#N)c2c1 ZINC001591550386 1349505231 /nfs/dbraw/zinc/50/52/31/1349505231.db2.gz ARBBANOHHBNKFV-VIFPVBQESA-N -1 3 339.359 2.004 20 30 EEEDHM COc1cc(OC)c2ncc(-c3nn[n-]n3)c(NC[C@@H](C)C#N)c2c1 ZINC001591550386 1349505235 /nfs/dbraw/zinc/50/52/35/1349505235.db2.gz ARBBANOHHBNKFV-VIFPVBQESA-N -1 3 339.359 2.004 20 30 EEEDHM Cc1cc(C(=O)N[C@@H](CC#N)C(F)(F)F)cc(C)c1-c1nnn[n-]1 ZINC001591920368 1349559359 /nfs/dbraw/zinc/55/93/59/1349559359.db2.gz NNCQCIJKLQAQMC-JTQLQIEISA-N -1 3 338.293 2.058 20 30 EEEDHM Cc1cc(C(=O)N[C@@H](CC#N)C(F)(F)F)cc(C)c1-c1nn[n-]n1 ZINC001591920368 1349559363 /nfs/dbraw/zinc/55/93/63/1349559363.db2.gz NNCQCIJKLQAQMC-JTQLQIEISA-N -1 3 338.293 2.058 20 30 EEEDHM Cc1ccc(C(=O)Nc2nc(Cl)c(C#N)s2)cc1-c1nnn[n-]1 ZINC001592132482 1349594616 /nfs/dbraw/zinc/59/46/16/1349594616.db2.gz JVJCMUXGKVYBTQ-UHFFFAOYSA-N -1 3 345.775 2.409 20 30 EEEDHM Cc1ccc(C(=O)Nc2nc(Cl)c(C#N)s2)cc1-c1nn[n-]n1 ZINC001592132482 1349594624 /nfs/dbraw/zinc/59/46/24/1349594624.db2.gz JVJCMUXGKVYBTQ-UHFFFAOYSA-N -1 3 345.775 2.409 20 30 EEEDHM Fc1cc(-c2nn[n-]n2)cc(F)c1C=NNc1ccc(Cl)nn1 ZINC001592635646 1349684895 /nfs/dbraw/zinc/68/48/95/1349684895.db2.gz XIJCLGQRICJCDW-UHFFFAOYSA-N -1 3 336.693 2.034 20 30 EEEDHM N#Cc1sc(NC(=O)c2cc(-c3nnn[n-]3)ccc2F)nc1Cl ZINC001592711907 1349709969 /nfs/dbraw/zinc/70/99/69/1349709969.db2.gz QRGJMQFRFSXZSQ-UHFFFAOYSA-N -1 3 349.738 2.240 20 30 EEEDHM N#Cc1sc(NC(=O)c2cc(-c3nn[n-]n3)ccc2F)nc1Cl ZINC001592711907 1349709971 /nfs/dbraw/zinc/70/99/71/1349709971.db2.gz QRGJMQFRFSXZSQ-UHFFFAOYSA-N -1 3 349.738 2.240 20 30 EEEDHM O=C1C(=Cc2cccc(-c3nnn[n-]3)c2)COc2cc3c(cc21)OCO3 ZINC001593381135 1349794795 /nfs/dbraw/zinc/79/47/95/1349794795.db2.gz XFJZJAVEALWHMJ-LFYBBSHMSA-N -1 3 348.318 2.254 20 30 EEEDHM O=C1C(=Cc2cccc(-c3nn[n-]n3)c2)COc2cc3c(cc21)OCO3 ZINC001593381135 1349794797 /nfs/dbraw/zinc/79/47/97/1349794797.db2.gz XFJZJAVEALWHMJ-LFYBBSHMSA-N -1 3 348.318 2.254 20 30 EEEDHM N#Cc1ccc(-c2nnc(CN3CC[C@@]4(C(=O)[O-])CCC[C@@H]34)o2)cc1 ZINC001601093450 1350207459 /nfs/dbraw/zinc/20/74/59/1350207459.db2.gz ZKVPBUZKZZFJOU-KDOFPFPSSA-N -1 3 338.367 2.437 20 30 EEEDHM C#C[C@H](Nc1ncc(-c2nnn[n-]2)c2ccsc21)[C@@H]1CCCO1 ZINC001602690974 1350573659 /nfs/dbraw/zinc/57/36/59/1350573659.db2.gz NWLGPIBJQKZIPP-RYUDHWBXSA-N -1 3 326.385 2.069 20 30 EEEDHM C#C[C@H](Nc1ncc(-c2nn[n-]n2)c2ccsc21)[C@@H]1CCCO1 ZINC001602690974 1350573661 /nfs/dbraw/zinc/57/36/61/1350573661.db2.gz NWLGPIBJQKZIPP-RYUDHWBXSA-N -1 3 326.385 2.069 20 30 EEEDHM C#C[C@H](Nc1ncc(-c2nnn[n-]2)c2ccsc21)[C@H]1CCCO1 ZINC001602690973 1350573829 /nfs/dbraw/zinc/57/38/29/1350573829.db2.gz NWLGPIBJQKZIPP-NWDGAFQWSA-N -1 3 326.385 2.069 20 30 EEEDHM C#C[C@H](Nc1ncc(-c2nn[n-]n2)c2ccsc21)[C@H]1CCCO1 ZINC001602690973 1350573833 /nfs/dbraw/zinc/57/38/33/1350573833.db2.gz NWLGPIBJQKZIPP-NWDGAFQWSA-N -1 3 326.385 2.069 20 30 EEEDHM C#CCN1CCC(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)CC1 ZINC001602720673 1350577572 /nfs/dbraw/zinc/57/75/72/1350577572.db2.gz BIXWMITZYPTMJA-UHFFFAOYSA-N -1 3 338.766 2.461 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N(C)CCOCc1ccc(-c2nnn[n-]2)cc1 ZINC001602750412 1350580738 /nfs/dbraw/zinc/58/07/38/1350580738.db2.gz XBEBIUMTBRQILJ-UHFFFAOYSA-N -1 3 343.431 2.444 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N(C)CCOCc1ccc(-c2nn[n-]n2)cc1 ZINC001602750412 1350580739 /nfs/dbraw/zinc/58/07/39/1350580739.db2.gz XBEBIUMTBRQILJ-UHFFFAOYSA-N -1 3 343.431 2.444 20 30 EEEDHM C=C(C)C(C)(C)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001602754090 1350582254 /nfs/dbraw/zinc/58/22/54/1350582254.db2.gz YPZZWDLWPVVPNV-UHFFFAOYSA-N -1 3 331.332 2.420 20 30 EEEDHM C=C(C)C(C)(C)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001602754090 1350582259 /nfs/dbraw/zinc/58/22/59/1350582259.db2.gz YPZZWDLWPVVPNV-UHFFFAOYSA-N -1 3 331.332 2.420 20 30 EEEDHM C=C(CNC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC001602767815 1350583996 /nfs/dbraw/zinc/58/39/96/1350583996.db2.gz NYRKMCFDEWQYFB-UHFFFAOYSA-N -1 3 340.774 2.358 20 30 EEEDHM C=C(CNC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC001602767815 1350584001 /nfs/dbraw/zinc/58/40/01/1350584001.db2.gz NYRKMCFDEWQYFB-UHFFFAOYSA-N -1 3 340.774 2.358 20 30 EEEDHM C=CC[C@@H](NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1ccncc1 ZINC001602816204 1350590337 /nfs/dbraw/zinc/59/03/37/1350590337.db2.gz KNUBLJYMURQHOQ-OAHLLOKOSA-N -1 3 338.346 2.448 20 30 EEEDHM C=CC[C@@H](NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccncc1 ZINC001602816204 1350590338 /nfs/dbraw/zinc/59/03/38/1350590338.db2.gz KNUBLJYMURQHOQ-OAHLLOKOSA-N -1 3 338.346 2.448 20 30 EEEDHM C=CCCC(=O)N1CCCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001602823642 1350591513 /nfs/dbraw/zinc/59/15/13/1350591513.db2.gz FEPYSZDDFPQLOJ-UHFFFAOYSA-N -1 3 344.394 2.011 20 30 EEEDHM C=CCCC(=O)N1CCCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001602823642 1350591515 /nfs/dbraw/zinc/59/15/15/1350591515.db2.gz FEPYSZDDFPQLOJ-UHFFFAOYSA-N -1 3 344.394 2.011 20 30 EEEDHM C=CCCC(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001602824574 1350591957 /nfs/dbraw/zinc/59/19/57/1350591957.db2.gz OTMJMEUQWMHGLK-AWEZNQCLSA-N -1 3 341.419 2.021 20 30 EEEDHM C=CCCC(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001602824574 1350591959 /nfs/dbraw/zinc/59/19/59/1350591959.db2.gz OTMJMEUQWMHGLK-AWEZNQCLSA-N -1 3 341.419 2.021 20 30 EEEDHM C=CCCCC(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C[C@H]1C ZINC001602831691 1350593272 /nfs/dbraw/zinc/59/32/72/1350593272.db2.gz FAPZKBNYGNOGKX-TZMCWYRMSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCCC(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C[C@H]1C ZINC001602831691 1350593276 /nfs/dbraw/zinc/59/32/76/1350593276.db2.gz FAPZKBNYGNOGKX-TZMCWYRMSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCCCOC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602837917 1350593968 /nfs/dbraw/zinc/59/39/68/1350593968.db2.gz JLRLWAZPRQOATB-HNNXBMFYSA-N -1 3 325.372 2.448 20 30 EEEDHM C=CCCCCOC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602837917 1350593970 /nfs/dbraw/zinc/59/39/70/1350593970.db2.gz JLRLWAZPRQOATB-HNNXBMFYSA-N -1 3 325.372 2.448 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(C)noc1C ZINC001602858219 1350597098 /nfs/dbraw/zinc/59/70/98/1350597098.db2.gz KHGRXKLHTFNLMI-UHFFFAOYSA-N -1 3 338.371 2.300 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c(C)noc1C ZINC001602858219 1350597101 /nfs/dbraw/zinc/59/71/01/1350597101.db2.gz KHGRXKLHTFNLMI-UHFFFAOYSA-N -1 3 338.371 2.300 20 30 EEEDHM C=CCOCCCNc1cccc(-n2cccn2)c1-c1nnn[n-]1 ZINC001602870039 1350598614 /nfs/dbraw/zinc/59/86/14/1350598614.db2.gz HQMOYSWRQWYSSI-UHFFFAOYSA-N -1 3 325.376 2.057 20 30 EEEDHM C=CCOCCCNc1cccc(-n2cccn2)c1-c1nn[n-]n1 ZINC001602870039 1350598615 /nfs/dbraw/zinc/59/86/15/1350598615.db2.gz HQMOYSWRQWYSSI-UHFFFAOYSA-N -1 3 325.376 2.057 20 30 EEEDHM CC#CCCCC(=O)NCc1ccc(SC)c(-c2nnn[n-]2)c1 ZINC001602893646 1350601504 /nfs/dbraw/zinc/60/15/04/1350601504.db2.gz AZNSORAAYWWGLR-UHFFFAOYSA-N -1 3 329.429 2.398 20 30 EEEDHM CC#CCCCC(=O)NCc1ccc(SC)c(-c2nn[n-]n2)c1 ZINC001602893646 1350601507 /nfs/dbraw/zinc/60/15/07/1350601507.db2.gz 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Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)c1csc(C#N)c1 ZINC001580933411 1344573835 /nfs/dbraw/zinc/57/38/35/1344573835.db2.gz OKQTXIKQLZWLDY-UHFFFAOYSA-N -1 3 328.332 2.500 20 30 EEEDHM N#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)ccc1F)c1ccc(F)cc1 ZINC001581857079 1344678542 /nfs/dbraw/zinc/67/85/42/1344678542.db2.gz OZOIHRYRBDVZOK-AWEZNQCLSA-N -1 3 340.293 2.140 20 30 EEEDHM N#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)ccc1F)c1ccc(F)cc1 ZINC001581857079 1344678546 /nfs/dbraw/zinc/67/85/46/1344678546.db2.gz OZOIHRYRBDVZOK-AWEZNQCLSA-N -1 3 340.293 2.140 20 30 EEEDHM N#Cc1ccc(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)s1 ZINC001581870283 1344683007 /nfs/dbraw/zinc/68/30/07/1344683007.db2.gz ZJILUYWATQMUHI-UHFFFAOYSA-N -1 3 343.347 2.261 20 30 EEEDHM N#Cc1ccc(CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)s1 ZINC001581870283 1344683013 /nfs/dbraw/zinc/68/30/13/1344683013.db2.gz ZJILUYWATQMUHI-UHFFFAOYSA-N -1 3 343.347 2.261 20 30 EEEDHM N#Cc1cccc(OCCN2CCc3c2cccc3-c2nnn[n-]2)c1 ZINC001581875822 1344684122 /nfs/dbraw/zinc/68/41/22/1344684122.db2.gz RQEYQHIEOMIZNQ-UHFFFAOYSA-N -1 3 332.367 2.180 20 30 EEEDHM N#Cc1cccc(OCCN2CCc3c2cccc3-c2nn[n-]n2)c1 ZINC001581875822 1344684126 /nfs/dbraw/zinc/68/41/26/1344684126.db2.gz RQEYQHIEOMIZNQ-UHFFFAOYSA-N -1 3 332.367 2.180 20 30 EEEDHM C#CCC(CC#C)C(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588332121 1348890293 /nfs/dbraw/zinc/89/02/93/1348890293.db2.gz VXEAMBWWAGVJGL-UHFFFAOYSA-N -1 3 335.411 2.268 20 30 EEEDHM C#CCC(CC#C)C(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588332121 1348890297 /nfs/dbraw/zinc/89/02/97/1348890297.db2.gz VXEAMBWWAGVJGL-UHFFFAOYSA-N -1 3 335.411 2.268 20 30 EEEDHM C#CCN(C(=O)Nc1cc(C)c(N(C)C)cc1-c1nnn[n-]1)C(C)C ZINC001588348176 1348893282 /nfs/dbraw/zinc/89/32/82/1348893282.db2.gz KVJDYZFDFAMMTG-UHFFFAOYSA-N -1 3 341.419 2.117 20 30 EEEDHM C#CCN(C(=O)Nc1cc(C)c(N(C)C)cc1-c1nn[n-]n1)C(C)C ZINC001588348176 1348893289 /nfs/dbraw/zinc/89/32/89/1348893289.db2.gz KVJDYZFDFAMMTG-UHFFFAOYSA-N -1 3 341.419 2.117 20 30 EEEDHM C#CCCN(CCOC)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588346357 1348894393 /nfs/dbraw/zinc/89/43/93/1348894393.db2.gz IVTVPGBKUXDDFE-UHFFFAOYSA-N -1 3 348.794 2.024 20 30 EEEDHM C#CCCN(CCOC)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588346357 1348894395 /nfs/dbraw/zinc/89/43/95/1348894395.db2.gz IVTVPGBKUXDDFE-UHFFFAOYSA-N -1 3 348.794 2.024 20 30 EEEDHM C#C[C@H]1CC[C@H](NC(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)CC1 ZINC001588365390 1348896191 /nfs/dbraw/zinc/89/61/91/1348896191.db2.gz UJTHPXBOIRIISH-YGUOUDRMSA-N -1 3 336.399 2.084 20 30 EEEDHM C#C[C@H]1CC[C@H](NC(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)CC1 ZINC001588365390 1348896193 /nfs/dbraw/zinc/89/61/93/1348896193.db2.gz UJTHPXBOIRIISH-YGUOUDRMSA-N -1 3 336.399 2.084 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001588400896 1348899917 /nfs/dbraw/zinc/89/99/17/1348899917.db2.gz IKAKGXZTFHSSDB-SMDDNHRTSA-N -1 3 330.348 2.168 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001588400896 1348899921 /nfs/dbraw/zinc/89/99/21/1348899921.db2.gz IKAKGXZTFHSSDB-SMDDNHRTSA-N -1 3 330.348 2.168 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588493490 1348909003 /nfs/dbraw/zinc/90/90/03/1348909003.db2.gz GOZDBNFVVQNMNE-SJCJKPOMSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588493490 1348909005 /nfs/dbraw/zinc/90/90/05/1348909005.db2.gz GOZDBNFVVQNMNE-SJCJKPOMSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@H](CC)CC(=O)N[C@@H](C)CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001588520431 1348912534 /nfs/dbraw/zinc/91/25/34/1348912534.db2.gz BEMPOBDNDZEZBJ-QWHCGFSZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@H](CC)CC(=O)N[C@@H](C)CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001588520431 1348912536 /nfs/dbraw/zinc/91/25/36/1348912536.db2.gz BEMPOBDNDZEZBJ-QWHCGFSZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@H](CC(=O)NCc1cncc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588519112 1348912614 /nfs/dbraw/zinc/91/26/14/1348912614.db2.gz SGEQFYQZGCDFAO-CQSZACIVSA-N -1 3 334.383 2.238 20 30 EEEDHM C=C[C@H](CC(=O)NCc1cncc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588519112 1348912616 /nfs/dbraw/zinc/91/26/16/1348912616.db2.gz SGEQFYQZGCDFAO-CQSZACIVSA-N -1 3 334.383 2.238 20 30 EEEDHM C=CCC(C)(C)C(=O)N[C@@H](C)CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001588533308 1348914683 /nfs/dbraw/zinc/91/46/83/1348914683.db2.gz USCYKIIMMFCFFS-LBPRGKRZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCC(C)(C)C(=O)N[C@@H](C)CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001588533308 1348914684 /nfs/dbraw/zinc/91/46/84/1348914684.db2.gz USCYKIIMMFCFFS-LBPRGKRZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCC1(O)CCN(C(=O)c2cc(C)c(-c3nnn[n-]3)c(C)c2)CC1 ZINC001588557232 1348915620 /nfs/dbraw/zinc/91/56/20/1348915620.db2.gz IKXWXOIEJLLYKX-UHFFFAOYSA-N -1 3 341.415 2.027 20 30 EEEDHM C=CCC1(O)CCN(C(=O)c2cc(C)c(-c3nn[n-]n3)c(C)c2)CC1 ZINC001588557232 1348915622 /nfs/dbraw/zinc/91/56/22/1348915622.db2.gz IKXWXOIEJLLYKX-UHFFFAOYSA-N -1 3 341.415 2.027 20 30 EEEDHM C=CCC1(COC(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC001588558076 1348916438 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C=CCCCC(=O)N1CCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001588588637 1348922097 /nfs/dbraw/zinc/92/20/97/1348922097.db2.gz VHQCHPBHQKNWOH-ZDUSSCGKSA-N -1 3 341.419 2.021 20 30 EEEDHM C=CCCCC(=O)N1CCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001588588637 1348922103 /nfs/dbraw/zinc/92/21/03/1348922103.db2.gz VHQCHPBHQKNWOH-ZDUSSCGKSA-N -1 3 341.419 2.021 20 30 EEEDHM C=CCCCC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001588588601 1348922280 /nfs/dbraw/zinc/92/22/80/1348922280.db2.gz TXRSRQVQZAHZCS-UHFFFAOYSA-N -1 3 341.419 2.021 20 30 EEEDHM C=CCCCC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588588601 1348922284 /nfs/dbraw/zinc/92/22/84/1348922284.db2.gz TXRSRQVQZAHZCS-UHFFFAOYSA-N -1 3 341.419 2.021 20 30 EEEDHM C=CCOc1ccc(OC(=O)c2ncc(-c3nnn[n-]3)cc2C)cc1 ZINC001588689883 1348929469 /nfs/dbraw/zinc/92/94/69/1348929469.db2.gz NMHMPISOEGSZDT-UHFFFAOYSA-N -1 3 337.339 2.354 20 30 EEEDHM C=CCOc1ccc(OC(=O)c2ncc(-c3nn[n-]n3)cc2C)cc1 ZINC001588689883 1348929472 /nfs/dbraw/zinc/92/94/72/1348929472.db2.gz NMHMPISOEGSZDT-UHFFFAOYSA-N -1 3 337.339 2.354 20 30 EEEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Cc1cccc(C#N)c1 ZINC001589252147 1348974952 /nfs/dbraw/zinc/97/49/52/1348974952.db2.gz VALAYCSIOWMZRI-UHFFFAOYSA-N -1 3 349.398 2.476 20 30 EEEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc(C#N)c1 ZINC001589252147 1348974955 /nfs/dbraw/zinc/97/49/55/1348974955.db2.gz VALAYCSIOWMZRI-UHFFFAOYSA-N -1 3 349.398 2.476 20 30 EEEDHM C[C@H](CC(C)(C)C#N)OC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001589797101 1349045936 /nfs/dbraw/zinc/04/59/36/1349045936.db2.gz VCEJUZNDFFQIBD-LLVKDONJSA-N -1 3 329.360 2.117 20 30 EEEDHM C[C@H](CC(C)(C)C#N)OC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001589797101 1349045942 /nfs/dbraw/zinc/04/59/42/1349045942.db2.gz VCEJUZNDFFQIBD-LLVKDONJSA-N -1 3 329.360 2.117 20 30 EEEDHM C[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC001589924336 1349064016 /nfs/dbraw/zinc/06/40/16/1349064016.db2.gz UAXXLIAUUZUVPF-GFCCVEGCSA-N -1 3 347.382 2.028 20 30 EEEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001590022931 1349113079 /nfs/dbraw/zinc/11/30/79/1349113079.db2.gz JBDOGWHUHJGJFJ-VIFPVBQESA-N -1 3 340.368 2.206 20 30 EEEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001590022931 1349113081 /nfs/dbraw/zinc/11/30/81/1349113081.db2.gz JBDOGWHUHJGJFJ-VIFPVBQESA-N -1 3 340.368 2.206 20 30 EEEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1sccc1C#N ZINC001590023459 1349113804 /nfs/dbraw/zinc/11/38/04/1349113804.db2.gz XEGWJEIOITVSAN-VIFPVBQESA-N -1 3 340.368 2.206 20 30 EEEDHM C[C@H]1CCc2nc(NC(=O)c3ccc(C#N)o3)c(-c3nnn[n-]3)cc2C1 ZINC001590279872 1349246345 /nfs/dbraw/zinc/24/63/45/1349246345.db2.gz IPSRNXBFQQZTSS-VIFPVBQESA-N -1 3 349.354 2.103 20 30 EEEDHM C[C@H]1CCc2nc(NC(=O)c3ccc(C#N)o3)c(-c3nn[n-]n3)cc2C1 ZINC001590279872 1349246350 /nfs/dbraw/zinc/24/63/50/1349246350.db2.gz IPSRNXBFQQZTSS-VIFPVBQESA-N -1 3 349.354 2.103 20 30 EEEDHM CCCNC(=S)NN=C(C)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001590637687 1349382262 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2.209 20 30 EEEDHM N#Cc1cccc2c1CCN2Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581875769 1344683848 /nfs/dbraw/zinc/68/38/48/1344683848.db2.gz OPDYUGUVSCIPGG-UHFFFAOYSA-N -1 3 347.338 2.209 20 30 EEEDHM C#C[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Br)c2)C1 ZINC001588332506 1348889804 /nfs/dbraw/zinc/88/98/04/1348889804.db2.gz LNTSGOJQOPSPSB-JTQLQIEISA-N -1 3 332.205 2.479 20 30 EEEDHM C#C[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Br)c2)C1 ZINC001588332506 1348889796 /nfs/dbraw/zinc/88/97/96/1348889796.db2.gz LNTSGOJQOPSPSB-JTQLQIEISA-N -1 3 332.205 2.479 20 30 EEEDHM C#CCC1(OC(=O)c2ccn(-c3cccc(-c4nnn[n-]4)c3)n2)CCC1 ZINC001588335456 1348891148 /nfs/dbraw/zinc/89/11/48/1348891148.db2.gz NCBUFJUMHVAWRE-UHFFFAOYSA-N -1 3 348.366 2.155 20 30 EEEDHM C#CCC1(OC(=O)c2ccn(-c3cccc(-c4nn[n-]n4)c3)n2)CCC1 ZINC001588335456 1348891153 /nfs/dbraw/zinc/89/11/53/1348891153.db2.gz NCBUFJUMHVAWRE-UHFFFAOYSA-N -1 3 348.366 2.155 20 30 EEEDHM C#Cc1cccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001588374743 1348897619 /nfs/dbraw/zinc/89/76/19/1348897619.db2.gz MENFWACJOOCXKD-UHFFFAOYSA-N -1 3 334.339 2.393 20 30 EEEDHM C#Cc1cccc(N(C)Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001588374743 1348897623 /nfs/dbraw/zinc/89/76/23/1348897623.db2.gz MENFWACJOOCXKD-UHFFFAOYSA-N -1 3 334.339 2.393 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001588401847 1348901082 /nfs/dbraw/zinc/90/10/82/1348901082.db2.gz ZBLRXLDNDKYUFN-FZMZJTMJSA-N -1 3 347.806 2.231 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001588401847 1348901083 /nfs/dbraw/zinc/90/10/83/1348901083.db2.gz ZBLRXLDNDKYUFN-FZMZJTMJSA-N -1 3 347.806 2.231 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC001588443488 1348905342 /nfs/dbraw/zinc/90/53/42/1348905342.db2.gz SJKDYBFGVWOBLB-WFASDCNBSA-N -1 3 343.387 2.185 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC001588443488 1348905344 /nfs/dbraw/zinc/90/53/44/1348905344.db2.gz SJKDYBFGVWOBLB-WFASDCNBSA-N -1 3 343.387 2.185 20 30 EEEDHM C=C(C)CONC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC001588430194 1348905409 /nfs/dbraw/zinc/90/54/09/1348905409.db2.gz SIXVWLFYUHPTOM-UHFFFAOYSA-N -1 3 340.290 2.097 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001588491111 1348909092 /nfs/dbraw/zinc/90/90/92/1348909092.db2.gz DABSABIKDVEMOK-SJCJKPOMSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001588491111 1348909095 /nfs/dbraw/zinc/90/90/95/1348909095.db2.gz DABSABIKDVEMOK-SJCJKPOMSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N[C@@H](C)CCNc1ncccc1-c1nnn[n-]1 ZINC001588520573 1348912581 /nfs/dbraw/zinc/91/25/81/1348912581.db2.gz CMFOOIBZAZQFCZ-STQMWFEESA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N[C@@H](C)CCNc1ncccc1-c1nn[n-]n1 ZINC001588520573 1348912583 /nfs/dbraw/zinc/91/25/83/1348912583.db2.gz CMFOOIBZAZQFCZ-STQMWFEESA-N -1 3 343.435 2.171 20 30 EEEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC001588561295 1348916715 /nfs/dbraw/zinc/91/67/15/1348916715.db2.gz ZDILCPXQBGSIJJ-UKRRQHHQSA-N -1 3 341.415 2.497 20 30 EEEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC001588561295 1348916718 /nfs/dbraw/zinc/91/67/18/1348916718.db2.gz ZDILCPXQBGSIJJ-UKRRQHHQSA-N -1 3 341.415 2.497 20 30 EEEDHM C=CC[C@H]1CCN1C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001588563923 1348917695 /nfs/dbraw/zinc/91/76/95/1348917695.db2.gz FGTYRNRTIRGLNI-ZDUSSCGKSA-N -1 3 327.388 2.201 20 30 EEEDHM C=CC[C@H]1CCN1C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588563923 1348917697 /nfs/dbraw/zinc/91/76/97/1348917697.db2.gz FGTYRNRTIRGLNI-ZDUSSCGKSA-N -1 3 327.388 2.201 20 30 EEEDHM C=CCCC(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588576265 1348919855 /nfs/dbraw/zinc/91/98/55/1348919855.db2.gz JXIOQJAVAIIOSZ-XYPYZODXSA-N -1 3 330.367 2.031 20 30 EEEDHM C=CCCC(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588576265 1348919856 /nfs/dbraw/zinc/91/98/56/1348919856.db2.gz JXIOQJAVAIIOSZ-XYPYZODXSA-N -1 3 330.367 2.031 20 30 EEEDHM C=CCN(C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC001588626023 1348924584 /nfs/dbraw/zinc/92/45/84/1348924584.db2.gz RNHLKXHJQKLDQS-GFCCVEGCSA-N -1 3 329.404 2.447 20 30 EEEDHM C=CCN(C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC001588626023 1348924589 /nfs/dbraw/zinc/92/45/89/1348924589.db2.gz RNHLKXHJQKLDQS-GFCCVEGCSA-N -1 3 329.404 2.447 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCC[C@@H]1OC ZINC001588638938 1348925242 /nfs/dbraw/zinc/92/52/42/1348925242.db2.gz KATAHMLLONMROW-HOTGVXAUSA-N -1 3 341.415 2.196 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCC[C@@H]1OC ZINC001588638938 1348925247 /nfs/dbraw/zinc/92/52/47/1348925247.db2.gz KATAHMLLONMROW-HOTGVXAUSA-N -1 3 341.415 2.196 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)CCCCC ZINC001588652118 1348927144 /nfs/dbraw/zinc/92/71/44/1348927144.db2.gz KHLCJHKQLPMQKH-UHFFFAOYSA-N -1 3 349.460 2.375 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)CCCCC ZINC001588652118 1348927147 /nfs/dbraw/zinc/92/71/47/1348927147.db2.gz KHLCJHKQLPMQKH-UHFFFAOYSA-N -1 3 349.460 2.375 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccon1 ZINC001588649452 1348927639 /nfs/dbraw/zinc/92/76/39/1348927639.db2.gz OHNZGEDUQHDHMV-UHFFFAOYSA-N -1 3 325.332 2.075 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccon1 ZINC001588649452 1348927640 /nfs/dbraw/zinc/92/76/40/1348927640.db2.gz OHNZGEDUQHDHMV-UHFFFAOYSA-N -1 3 325.332 2.075 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1CNc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001588727675 1348931006 /nfs/dbraw/zinc/93/10/06/1348931006.db2.gz GIORNKUCCQCZRW-CABZTGNLSA-N -1 3 328.401 2.479 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1CNc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001588727675 1348931011 /nfs/dbraw/zinc/93/10/11/1348931011.db2.gz GIORNKUCCQCZRW-CABZTGNLSA-N -1 3 328.401 2.479 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(-c2nn[n-]n2)ccc1NCCC ZINC001588725596 1348931286 /nfs/dbraw/zinc/93/12/86/1348931286.db2.gz GNRKDTRNOOTDQB-DOMZBBRYSA-N -1 3 342.403 2.218 20 30 EEEDHM CC(=O)Nc1ccc(CNc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001588876416 1348939689 /nfs/dbraw/zinc/93/96/89/1348939689.db2.gz XAEQLYCBSRVNLM-UHFFFAOYSA-N -1 3 333.355 2.309 20 30 EEEDHM CC(=O)Nc1ccc(CNc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001588876416 1348939691 /nfs/dbraw/zinc/93/96/91/1348939691.db2.gz XAEQLYCBSRVNLM-UHFFFAOYSA-N -1 3 333.355 2.309 20 30 EEEDHM CC(C)(C#N)CCOC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589033217 1348954262 /nfs/dbraw/zinc/95/42/62/1348954262.db2.gz AMJBFSQKRSAKFU-CQSZACIVSA-N -1 3 338.371 2.032 20 30 EEEDHM CC(C)(C#N)CCOC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589033217 1348954267 /nfs/dbraw/zinc/95/42/67/1348954267.db2.gz AMJBFSQKRSAKFU-CQSZACIVSA-N -1 3 338.371 2.032 20 30 EEEDHM C[C@H](NCc1c(C#N)cccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001589965635 1349084568 /nfs/dbraw/zinc/08/45/68/1349084568.db2.gz NRVPOUMDHRCDNP-NSHDSACASA-N -1 3 349.354 2.497 20 30 EEEDHM C[C@H](NCc1c(C#N)cccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001589965635 1349084573 /nfs/dbraw/zinc/08/45/73/1349084573.db2.gz NRVPOUMDHRCDNP-NSHDSACASA-N -1 3 349.354 2.497 20 30 EEEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccc(C#N)cc1 ZINC001590022358 1349112752 /nfs/dbraw/zinc/11/27/52/1349112752.db2.gz KVGZMGPUBAOLMQ-LBPRGKRZSA-N -1 3 349.350 2.249 20 30 EEEDHM CN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC001590979843 1349426948 /nfs/dbraw/zinc/42/69/48/1349426948.db2.gz AUDYDGYXOVBSRE-UHFFFAOYSA-N -1 3 332.367 2.334 20 30 EEEDHM CN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC001590979843 1349426955 /nfs/dbraw/zinc/42/69/55/1349426955.db2.gz AUDYDGYXOVBSRE-UHFFFAOYSA-N -1 3 332.367 2.334 20 30 EEEDHM COc1ccc(C=NNC2CCC(F)(F)CC2)cc1-c1nnn[n-]1 ZINC001591582449 1349509593 /nfs/dbraw/zinc/50/95/93/1349509593.db2.gz XHCBALORTITKDT-UHFFFAOYSA-N -1 3 336.346 2.377 20 30 EEEDHM COc1ccc(C=NNC2CCC(F)(F)CC2)cc1-c1nn[n-]n1 ZINC001591582449 1349509596 /nfs/dbraw/zinc/50/95/96/1349509596.db2.gz XHCBALORTITKDT-UHFFFAOYSA-N -1 3 336.346 2.377 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)cc(N2CCC(C#N)(c3ccccn3)CC2)n1 ZINC001591854870 1349546488 /nfs/dbraw/zinc/54/64/88/1349546488.db2.gz MYFUXOVVYBZOJQ-UHFFFAOYSA-N -1 3 346.398 2.027 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)cc(N2CCC(C#N)(c3ccccn3)CC2)n1 ZINC001591854870 1349546494 /nfs/dbraw/zinc/54/64/94/1349546494.db2.gz MYFUXOVVYBZOJQ-UHFFFAOYSA-N -1 3 346.398 2.027 20 30 EEEDHM Cc1cc(COC(=O)COc2ccc(C#N)cc2)ccc1-c1nnn[n-]1 ZINC001591971965 1349574250 /nfs/dbraw/zinc/57/42/50/1349574250.db2.gz QMXRBYCXPGGFJT-UHFFFAOYSA-N -1 3 349.350 2.169 20 30 EEEDHM Cc1cc(COC(=O)COc2ccc(C#N)cc2)ccc1-c1nn[n-]n1 ZINC001591971965 1349574253 /nfs/dbraw/zinc/57/42/53/1349574253.db2.gz QMXRBYCXPGGFJT-UHFFFAOYSA-N -1 3 349.350 2.169 20 30 EEEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)N1CCC(CC#N)CC1 ZINC001591984403 1349577528 /nfs/dbraw/zinc/57/75/28/1349577528.db2.gz OEISOJDTDLKMFD-UHFFFAOYSA-N -1 3 343.366 2.472 20 30 EEEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)N1CCC(CC#N)CC1 ZINC001591984403 1349577540 /nfs/dbraw/zinc/57/75/40/1349577540.db2.gz OEISOJDTDLKMFD-UHFFFAOYSA-N -1 3 343.366 2.472 20 30 EEEDHM N#Cc1cccc2c1CCCN2C(=O)c1cscc1-c1nnn[n-]1 ZINC001592703429 1349708784 /nfs/dbraw/zinc/70/87/84/1349708784.db2.gz VVEGNYREOPRPID-UHFFFAOYSA-N -1 3 336.380 2.393 20 30 EEEDHM N#Cc1cccc2c1CCCN2C(=O)c1cscc1-c1nn[n-]n1 ZINC001592703429 1349708786 /nfs/dbraw/zinc/70/87/86/1349708786.db2.gz VVEGNYREOPRPID-UHFFFAOYSA-N -1 3 336.380 2.393 20 30 EEEDHM N#Cc1ccccc1CSCCNc1ncccc1-c1nnn[n-]1 ZINC001592701590 1349709049 /nfs/dbraw/zinc/70/90/49/1349709049.db2.gz LIUTYYBZPOKFQH-UHFFFAOYSA-N -1 3 337.412 2.479 20 30 EEEDHM N#Cc1ccccc1CSCCNc1ncccc1-c1nn[n-]n1 ZINC001592701590 1349709051 /nfs/dbraw/zinc/70/90/51/1349709051.db2.gz LIUTYYBZPOKFQH-UHFFFAOYSA-N -1 3 337.412 2.479 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1Nc1cnn(Cc2ccccn2)c1 ZINC001592700780 1349709076 /nfs/dbraw/zinc/70/90/76/1349709076.db2.gz VHQXEHDDNQNNOB-UHFFFAOYSA-N -1 3 343.354 2.122 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1Nc1cnn(Cc2ccccn2)c1 ZINC001592700780 1349709080 /nfs/dbraw/zinc/70/90/80/1349709080.db2.gz VHQXEHDDNQNNOB-UHFFFAOYSA-N -1 3 343.354 2.122 20 30 EEEDHM N#Cc1sc(N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)nc1Cl ZINC001592711877 1349709956 /nfs/dbraw/zinc/70/99/56/1349709956.db2.gz QGWMJHZTTMNOEA-JTQLQIEISA-N -1 3 343.803 2.428 20 30 EEEDHM N#Cc1sc(N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)nc1Cl ZINC001592711877 1349709959 /nfs/dbraw/zinc/70/99/59/1349709959.db2.gz QGWMJHZTTMNOEA-JTQLQIEISA-N -1 3 343.803 2.428 20 30 EEEDHM N#CC(C(=O)Nc1ccccc1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC001601046685 1350196697 /nfs/dbraw/zinc/19/66/97/1350196697.db2.gz AHCZLOZCEFOTNU-CYBMUJFWSA-N -1 3 326.283 2.485 20 30 EEEDHM C#Cc1cccc(NC(=O)NCCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001602741353 1350579102 /nfs/dbraw/zinc/57/91/02/1350579102.db2.gz GXPLUYZQGILJLT-UHFFFAOYSA-N -1 3 332.367 2.212 20 30 EEEDHM C#Cc1cccc(NC(=O)NCCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001602741353 1350579104 /nfs/dbraw/zinc/57/91/04/1350579104.db2.gz GXPLUYZQGILJLT-UHFFFAOYSA-N -1 3 332.367 2.212 20 30 EEEDHM C=C(Br)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602748889 1350580827 /nfs/dbraw/zinc/58/08/27/1350580827.db2.gz ILZAXCLWLDAWQF-UHFFFAOYSA-N -1 3 341.144 2.036 20 30 EEEDHM C=C(Br)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602748889 1350580831 /nfs/dbraw/zinc/58/08/31/1350580831.db2.gz ILZAXCLWLDAWQF-UHFFFAOYSA-N -1 3 341.144 2.036 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001602753182 1350581704 /nfs/dbraw/zinc/58/17/04/1350581704.db2.gz MRHJVENZSHJTSR-SMDDNHRTSA-N -1 3 347.806 2.231 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001602753182 1350581706 /nfs/dbraw/zinc/58/17/06/1350581706.db2.gz MRHJVENZSHJTSR-SMDDNHRTSA-N -1 3 347.806 2.231 20 30 EEEDHM C=C(C)C[C@H](C)C(=O)N1CC(Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001602754103 1350582352 /nfs/dbraw/zinc/58/23/52/1350582352.db2.gz ZIPSUBFMGFCKBG-LBPRGKRZSA-N -1 3 326.404 2.092 20 30 EEEDHM C=C(C)C[C@H](C)C(=O)N1CC(Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001602754103 1350582356 /nfs/dbraw/zinc/58/23/56/1350582356.db2.gz ZIPSUBFMGFCKBG-LBPRGKRZSA-N -1 3 326.404 2.092 20 30 EEEDHM C=C(C)CN1CCC(NC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)CC1 ZINC001602762266 1350583537 /nfs/dbraw/zinc/58/35/37/1350583537.db2.gz BPGXNSAMWRXEOV-DNVCBOLYSA-N -1 3 349.475 2.313 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N(C)[C@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001602800636 1350588396 /nfs/dbraw/zinc/58/83/96/1350588396.db2.gz MTCDAPCDZRBYNR-OLZOCXBDSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N(C)[C@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001602800636 1350588398 /nfs/dbraw/zinc/58/83/98/1350588398.db2.gz MTCDAPCDZRBYNR-OLZOCXBDSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@@H]1CCCCN1CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001602803044 1350588451 /nfs/dbraw/zinc/58/84/51/1350588451.db2.gz GJEYHVFRWVPLKP-GFCCVEGCSA-N -1 3 346.822 2.499 20 30 EEEDHM C=C[C@@H]1CCCCN1CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001602803044 1350588452 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C=CC[C@H](C(=O)[O-])N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1 ZINC001602834793 1350593707 /nfs/dbraw/zinc/59/37/07/1350593707.db2.gz CTEDQGSYTTZINX-GFCCVEGCSA-N -1 3 348.365 2.425 20 30 EEEDHM C=CCCCN(CC)S(=O)(=O)Cc1csc(-c2nnn[n-]2)c1 ZINC001602840241 1350594566 /nfs/dbraw/zinc/59/45/66/1350594566.db2.gz UIYSDQSLGNVJRA-UHFFFAOYSA-N -1 3 341.462 2.046 20 30 EEEDHM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001603580260 1350723825 /nfs/dbraw/zinc/72/38/25/1350723825.db2.gz FXDPVUMNIMHYAW-PXAZEXFGSA-N -1 3 326.404 2.100 20 30 EEEDHM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603580260 1350723829 /nfs/dbraw/zinc/72/38/29/1350723829.db2.gz FXDPVUMNIMHYAW-PXAZEXFGSA-N -1 3 326.404 2.100 20 30 EEEDHM CC(C)(C)OC(=O)NCC(C)(C)CN1CCC(C#N)(C(=O)[O-])CC1 ZINC001603638148 1350732185 /nfs/dbraw/zinc/73/21/85/1350732185.db2.gz JYRKFDPYKVTIPE-UHFFFAOYSA-N -1 3 339.436 2.228 20 30 EEEDHM C[C@@]1(CNc2c(C#N)cccc2-c2nnn[n-]2)COc2ccccc2O1 ZINC001603806786 1350772863 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N#CC1CCN(c2cccc(Br)c2-c2nnn[n-]2)CC1 ZINC001606345032 1351295047 /nfs/dbraw/zinc/29/50/47/1351295047.db2.gz DSWSYAWKTAZEFT-UHFFFAOYSA-N -1 3 333.193 2.369 20 30 EEEDHM N#CC1CCN(c2cccc(Br)c2-c2nn[n-]n2)CC1 ZINC001606345032 1351295049 /nfs/dbraw/zinc/29/50/49/1351295049.db2.gz DSWSYAWKTAZEFT-UHFFFAOYSA-N -1 3 333.193 2.369 20 30 EEEDHM N#C[C@@H]1CCC[C@@H](N[C@H]2CCc3cc(C(=O)[O-])ccc3NC2=O)C1 ZINC001608177994 1351641743 /nfs/dbraw/zinc/64/17/43/1351641743.db2.gz DZRZMOYJOLUFOB-XFJVYGCCSA-N -1 3 327.384 2.310 20 30 EEEDHM N#Cc1cccc(NC(=O)CN2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c1 ZINC001608217113 1351650392 /nfs/dbraw/zinc/65/03/92/1351650392.db2.gz MMHFZFVDVJZOJC-IKGGRYGDSA-N -1 3 341.411 2.462 20 30 EEEDHM COc1nc(Cl)ccc1S(=O)(=O)[N-]Cc1cc(C#N)cs1 ZINC001198730371 1368641887 /nfs/dbraw/zinc/64/18/87/1368641887.db2.gz IJEUYTOJOFDXFP-UHFFFAOYSA-N -1 3 343.817 2.155 20 30 EEEDHM C=CCC1(C(=O)N2CCC(CC)(NC(=O)c3cn[n-]n3)CC2)CCC1 ZINC001069597675 1370194756 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EEEDHM N#CC[C@@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001592681524 1404714414 /nfs/dbraw/zinc/71/44/14/1404714414.db2.gz CXBRWODNWPWRQI-ONGXEEELSA-N -1 3 329.339 2.210 20 30 EEEDHM N#CC[C@@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001592681524 1404714415 /nfs/dbraw/zinc/71/44/15/1404714415.db2.gz CXBRWODNWPWRQI-ONGXEEELSA-N -1 3 329.339 2.210 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N(C)C[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001756479737 1408760803 /nfs/dbraw/zinc/76/08/03/1408760803.db2.gz OZYVIOQIINIJKN-LBPRGKRZSA-N -1 3 343.431 2.137 20 30 EEEDHM C#CCCCC(=O)N1C[C@H](NC(=O)c2ccccc2[O-])CC[C@H]1C ZINC001756795277 1409337588 /nfs/dbraw/zinc/33/75/88/1409337588.db2.gz KAIFJPGGVKHJIL-HUUCEWRRSA-N -1 3 328.412 2.305 20 30 EEEDHM N#Cc1ccc(N2CCC[C@@H]2CCNC(=O)c2ccccc2[O-])nc1 ZINC001103717165 1410746717 /nfs/dbraw/zinc/74/67/17/1410746717.db2.gz CZTAJXKMZYVCLK-OAHLLOKOSA-N -1 3 336.395 2.448 20 30 EEEDHM C=CCCC(=O)N(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC001125421316 758111378 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COC(=O)c1cc(C(=O)O[C@@H](C#N)Cc2ccc(F)cc2F)c[n-]1 ZINC000816013112 783587630 /nfs/dbraw/zinc/58/76/30/783587630.db2.gz FMURIEVSBSQTIC-GFCCVEGCSA-N -1 3 334.278 2.371 20 30 EEEDHM C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000908885458 785826536 /nfs/dbraw/zinc/82/65/36/785826536.db2.gz XUNVEDKTADHEKA-GOEBONIOSA-N -1 3 331.416 2.104 20 30 EEEDHM C=CCN1CCC(NC(=O)N(CC(=O)[O-])[C@@H](C)c2ccccc2)CC1 ZINC000908946920 785869562 /nfs/dbraw/zinc/86/95/62/785869562.db2.gz XENKDOXTCFAQAT-HNNXBMFYSA-N -1 3 345.443 2.494 20 30 EEEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cccc(Br)c1Cl ZINC000820483029 785942150 /nfs/dbraw/zinc/94/21/50/785942150.db2.gz WUASIDCLCSBCCO-SECBINFHSA-N -1 3 347.596 2.213 20 30 EEEDHM C=CCCC[C@@H](C)N[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000823894573 787984554 /nfs/dbraw/zinc/98/45/54/787984554.db2.gz UEJKBZVGGBKPGT-DOMZBBRYSA-N -1 3 329.404 2.415 20 30 EEEDHM C=CCCC[C@@H](C)N[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000823894573 787984561 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EEEDHM N#Cc1cc(F)cc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC001581866415 1344682157 /nfs/dbraw/zinc/68/21/57/1344682157.db2.gz BHVDSFVWRGEJNV-UHFFFAOYSA-N -1 3 337.318 2.199 20 30 EEEDHM C#C[C@H](C)N(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001588325573 1348886902 /nfs/dbraw/zinc/88/69/02/1348886902.db2.gz OZGATAPQGHYMGI-LBPRGKRZSA-N -1 3 348.366 2.148 20 30 EEEDHM C#C[C@H](C)N(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001588325573 1348886910 /nfs/dbraw/zinc/88/69/10/1348886910.db2.gz OZGATAPQGHYMGI-LBPRGKRZSA-N -1 3 348.366 2.148 20 30 EEEDHM C#C[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001588326436 1348886948 /nfs/dbraw/zinc/88/69/48/1348886948.db2.gz LUOTWWPHUIONRT-LLVKDONJSA-N -1 3 349.354 2.197 20 30 EEEDHM C#C[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001588326436 1348886953 /nfs/dbraw/zinc/88/69/53/1348886953.db2.gz LUOTWWPHUIONRT-LLVKDONJSA-N -1 3 349.354 2.197 20 30 EEEDHM C#CCCCCC(=O)NC[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588342202 1348891865 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C#Cc1ccc(C(=O)N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001588366965 1348897062 /nfs/dbraw/zinc/89/70/62/1348897062.db2.gz DXIMQXDDKHGLSL-QGZVFWFLSA-N -1 3 329.363 2.265 20 30 EEEDHM C#Cc1ccc(C(=O)N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001588366965 1348897067 /nfs/dbraw/zinc/89/70/67/1348897067.db2.gz DXIMQXDDKHGLSL-QGZVFWFLSA-N -1 3 329.363 2.265 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1nnc(CC)c(CC)c1-c1nnn[n-]1 ZINC001588400835 1348900613 /nfs/dbraw/zinc/90/06/13/1348900613.db2.gz HJEJBFFPQTTZMD-NHYWBVRUSA-N -1 3 343.435 2.175 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1nnc(CC)c(CC)c1-c1nn[n-]n1 ZINC001588400835 1348900615 /nfs/dbraw/zinc/90/06/15/1348900615.db2.gz HJEJBFFPQTTZMD-NHYWBVRUSA-N -1 3 343.435 2.175 20 30 EEEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001588401579 1348901213 /nfs/dbraw/zinc/90/12/13/1348901213.db2.gz UPNPSZNOYNGDPG-BXUZGUMPSA-N -1 3 346.366 2.109 20 30 EEEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001588401579 1348901217 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C=C(C)CCC(=O)N(C)CCNc1cccc(F)c1-c1nn[n-]n1 ZINC001588410805 1348902418 /nfs/dbraw/zinc/90/24/18/1348902418.db2.gz WAJCCFCVPXPXSG-UHFFFAOYSA-N -1 3 332.383 2.232 20 30 EEEDHM C=C(C)CN(Cc1ccc(CO)o1)c1cc(-c2nnn[n-]2)cc(C)n1 ZINC001588426067 1348904277 /nfs/dbraw/zinc/90/42/77/1348904277.db2.gz JVMIZTRLZDKRFW-UHFFFAOYSA-N -1 3 340.387 2.238 20 30 EEEDHM C=C(C)CN(Cc1ccc(CO)o1)c1cc(-c2nn[n-]n2)cc(C)n1 ZINC001588426067 1348904280 /nfs/dbraw/zinc/90/42/80/1348904280.db2.gz JVMIZTRLZDKRFW-UHFFFAOYSA-N -1 3 340.387 2.238 20 30 EEEDHM C=C(CNC(=O)NCc1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC001588444093 1348905897 /nfs/dbraw/zinc/90/58/97/1348905897.db2.gz KJGFZFLKMNKOAC-UHFFFAOYSA-N -1 3 340.412 2.441 20 30 EEEDHM C=C[C@H](CC)CC(=O)NC[C@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001588521421 1348912795 /nfs/dbraw/zinc/91/27/95/1348912795.db2.gz NEGYMJRRXHVOIG-QWHCGFSZSA-N -1 3 343.435 2.028 20 30 EEEDHM C=C[C@H](CC)CC(=O)NC[C@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001588521421 1348912797 /nfs/dbraw/zinc/91/27/97/1348912797.db2.gz NEGYMJRRXHVOIG-QWHCGFSZSA-N -1 3 343.435 2.028 20 30 EEEDHM C=CC[C@@H](C(=O)NCc1cncc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588529501 1348913861 /nfs/dbraw/zinc/91/38/61/1348913861.db2.gz AMJYCPZCKHWSFL-MRXNPFEDSA-N -1 3 334.383 2.238 20 30 EEEDHM C=CC[C@@H](C(=O)NCc1cncc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588529501 1348913862 /nfs/dbraw/zinc/91/38/62/1348913862.db2.gz AMJYCPZCKHWSFL-MRXNPFEDSA-N -1 3 334.383 2.238 20 30 EEEDHM C=CCC[C@H](CO)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588578826 1348919831 /nfs/dbraw/zinc/91/98/31/1348919831.db2.gz GNWPYJNSHHEFID-SNVBAGLBSA-N -1 3 338.209 2.368 20 30 EEEDHM C=CCC[C@H](CO)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588578826 1348919834 /nfs/dbraw/zinc/91/98/34/1348919834.db2.gz GNWPYJNSHHEFID-SNVBAGLBSA-N -1 3 338.209 2.368 20 30 EEEDHM C=CCCCC(=O)N[C@H](C)C[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001588586808 1348921117 /nfs/dbraw/zinc/92/11/17/1348921117.db2.gz NASITPSOZBJVEG-OLZOCXBDSA-N -1 3 343.435 2.313 20 30 EEEDHM C=CCCCC(=O)N[C@H](C)C[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001588586808 1348921121 /nfs/dbraw/zinc/92/11/21/1348921121.db2.gz NASITPSOZBJVEG-OLZOCXBDSA-N -1 3 343.435 2.313 20 30 EEEDHM C=CCCC[C@@H]1NC(=O)N([C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC001588593953 1348922237 /nfs/dbraw/zinc/92/22/37/1348922237.db2.gz NJNQSHACYLHMLZ-FZMZJTMJSA-N -1 3 340.387 2.204 20 30 EEEDHM C=CCCC[C@@H]1NC(=O)N([C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC001588593953 1348922239 /nfs/dbraw/zinc/92/22/39/1348922239.db2.gz NJNQSHACYLHMLZ-FZMZJTMJSA-N -1 3 340.387 2.204 20 30 EEEDHM C=CCCCS(=O)(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001588603862 1348922952 /nfs/dbraw/zinc/92/29/52/1348922952.db2.gz YPEPGXSPFBVYFY-UHFFFAOYSA-N -1 3 347.444 2.132 20 30 EEEDHM C=CCCCS(=O)(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001588603862 1348922958 /nfs/dbraw/zinc/92/29/58/1348922958.db2.gz YPEPGXSPFBVYFY-UHFFFAOYSA-N -1 3 347.444 2.132 20 30 EEEDHM C=CCCN(C)c1c(-c2nnn[n-]2)cnc2c(OC)cc(OC)cc21 ZINC001588603800 1348923446 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CC(C)[C@](C)(C#N)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001589419270 1348990535 /nfs/dbraw/zinc/99/05/35/1348990535.db2.gz KIQOSNFYJZORTB-HNNXBMFYSA-N -1 3 330.417 2.013 20 30 EEEDHM CC(C)[C@](C)(C#N)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001589419270 1348990537 /nfs/dbraw/zinc/99/05/37/1348990537.db2.gz KIQOSNFYJZORTB-HNNXBMFYSA-N -1 3 330.417 2.013 20 30 EEEDHM CC[C@@H](NCc1nc(-c2nnn[n-]2)cs1)c1cccc(C#N)c1 ZINC001590470232 1349344597 /nfs/dbraw/zinc/34/45/97/1349344597.db2.gz VRPZXGHCGYEWED-GFCCVEGCSA-N -1 3 325.401 2.436 20 30 EEEDHM CC[C@@H](NCc1nc(-c2nn[n-]n2)cs1)c1cccc(C#N)c1 ZINC001590470232 1349344605 /nfs/dbraw/zinc/34/46/05/1349344605.db2.gz VRPZXGHCGYEWED-GFCCVEGCSA-N -1 3 325.401 2.436 20 30 EEEDHM CN(C(=O)c1ccc(C#N)s1)c1ccc(-c2nnn[n-]2)cc1F ZINC001590993371 1349428365 /nfs/dbraw/zinc/42/83/65/1349428365.db2.gz ZBKPSCKDKQYDEK-UHFFFAOYSA-N -1 3 328.332 2.216 20 30 EEEDHM CN(C(=O)c1ccc(C#N)s1)c1ccc(-c2nn[n-]n2)cc1F ZINC001590993371 1349428377 /nfs/dbraw/zinc/42/83/77/1349428377.db2.gz 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343.435 2.123 20 30 EEEDHM C=CC(C)(C)CC(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001602785333 1350586123 /nfs/dbraw/zinc/58/61/23/1350586123.db2.gz QWVQBGPXOYAVPC-GFCCVEGCSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@@H](CC)CC(=O)NC[C@H](CC)Nc1ncccc1-c1nnn[n-]1 ZINC001602800470 1350588312 /nfs/dbraw/zinc/58/83/12/1350588312.db2.gz MIFKMHSEILAITL-STQMWFEESA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@@H](CC)CC(=O)NC[C@H](CC)Nc1ncccc1-c1nn[n-]n1 ZINC001602800470 1350588318 /nfs/dbraw/zinc/58/83/18/1350588318.db2.gz MIFKMHSEILAITL-STQMWFEESA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCC(C)(C)C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001602809735 1350589444 /nfs/dbraw/zinc/58/94/44/1350589444.db2.gz WOJHYSPHKNEEIR-LLVKDONJSA-N -1 3 343.387 2.339 20 30 EEEDHM C=CCC(C)(C)C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001602809735 1350589447 /nfs/dbraw/zinc/58/94/47/1350589447.db2.gz WOJHYSPHKNEEIR-LLVKDONJSA-N -1 3 343.387 2.339 20 30 EEEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001602825556 1350591640 /nfs/dbraw/zinc/59/16/40/1350591640.db2.gz YMKXEXGSAOYKAA-CQSZACIVSA-N -1 3 343.362 2.146 20 30 EEEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001602825556 1350591646 /nfs/dbraw/zinc/59/16/46/1350591646.db2.gz YMKXEXGSAOYKAA-CQSZACIVSA-N -1 3 343.362 2.146 20 30 EEEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cccc(N2CCC2=O)c1 ZINC001602908031 1350603475 /nfs/dbraw/zinc/60/34/75/1350603475.db2.gz GFIIMLLHPYWVIB-UHFFFAOYSA-N -1 3 347.382 2.440 20 30 EEEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cccc(N2CCC2=O)c1 ZINC001602908031 1350603480 /nfs/dbraw/zinc/60/34/80/1350603480.db2.gz GFIIMLLHPYWVIB-UHFFFAOYSA-N -1 3 347.382 2.440 20 30 EEEDHM C[C@@H]1CCC[C@@H](NC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001603886312 1350793599 /nfs/dbraw/zinc/79/35/99/1350793599.db2.gz JEZMWFMAMSRXTC-UHOFOFEASA-N -1 3 338.415 2.244 20 30 EEEDHM CN(C(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1)[C@@H]1CCC[C@H]1C#N ZINC001604649587 1350977406 /nfs/dbraw/zinc/97/74/06/1350977406.db2.gz 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N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001606380742 1351299132 /nfs/dbraw/zinc/29/91/32/1351299132.db2.gz DKFLHIIUJICZCH-MRXNPFEDSA-N -1 3 330.351 2.156 20 30 EEEDHM OC[C@@H](NN=C1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccccc1 ZINC001607102909 1351419775 /nfs/dbraw/zinc/41/97/75/1351419775.db2.gz IDZLRPRMLVOWIM-GOSISDBHSA-N -1 3 348.410 2.230 20 30 EEEDHM OC[C@@H](NN=C1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC001607102909 1351419777 /nfs/dbraw/zinc/41/97/77/1351419777.db2.gz IDZLRPRMLVOWIM-GOSISDBHSA-N -1 3 348.410 2.230 20 30 EEEDHM CC(C)Cn1ccc2c1cccc2C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848134672 1373086380 /nfs/dbraw/zinc/08/63/80/1373086380.db2.gz XSAORFYRQIGYBZ-HNNXBMFYSA-N -1 3 329.400 2.407 20 30 EEEDHM CO[C@H]1CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C[C@H]1C ZINC001361567131 1373310980 /nfs/dbraw/zinc/31/09/80/1373310980.db2.gz XDZATLQQLLSPMV-BZNIZROVSA-N -1 3 331.416 2.092 20 30 EEEDHM CCCN(C(=O)[C@@H](C)C#N)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001396962070 1390996027 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ZINC001581875648 1344683668 /nfs/dbraw/zinc/68/36/68/1344683668.db2.gz JJXXYXTVBIXCGG-UHFFFAOYSA-N -1 3 332.367 2.180 20 30 EEEDHM N#Cc1cccc2c1CCN2CCOc1cccc(-c2nn[n-]n2)c1 ZINC001581875648 1344683671 /nfs/dbraw/zinc/68/36/71/1344683671.db2.gz JJXXYXTVBIXCGG-UHFFFAOYSA-N -1 3 332.367 2.180 20 30 EEEDHM C#Cc1ccc(C(=O)N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cn1 ZINC001588368890 1348896675 /nfs/dbraw/zinc/89/66/75/1348896675.db2.gz ZHNWVXOJGRZOBP-QGZVFWFLSA-N -1 3 344.378 2.050 20 30 EEEDHM C#Cc1ccc(C(=O)N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cn1 ZINC001588368890 1348896680 /nfs/dbraw/zinc/89/66/80/1348896680.db2.gz ZHNWVXOJGRZOBP-QGZVFWFLSA-N -1 3 344.378 2.050 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001588393594 1348900579 /nfs/dbraw/zinc/90/05/79/1348900579.db2.gz PVBHPFBXYDYRPR-UHFFFAOYSA-N -1 3 340.431 2.118 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001588393594 1348900582 /nfs/dbraw/zinc/90/05/82/1348900582.db2.gz PVBHPFBXYDYRPR-UHFFFAOYSA-N -1 3 340.431 2.118 20 30 EEEDHM C=C(C)CN(CC)C(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001588426366 1348904049 /nfs/dbraw/zinc/90/40/49/1348904049.db2.gz UYYNRUYZSUHXDV-OAHLLOKOSA-N -1 3 326.404 2.462 20 30 EEEDHM C=C(C)CN(CC)C(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001588426366 1348904051 /nfs/dbraw/zinc/90/40/51/1348904051.db2.gz UYYNRUYZSUHXDV-OAHLLOKOSA-N -1 3 326.404 2.462 20 30 EEEDHM C=CC(C)(C)CC(=O)N(C)[C@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001588482440 1348908129 /nfs/dbraw/zinc/90/81/29/1348908129.db2.gz WPSJAPGNTKJFAD-GFCCVEGCSA-N -1 3 343.435 2.123 20 30 EEEDHM C=CC(C)(C)CC(=O)N(C)[C@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001588482440 1348908132 /nfs/dbraw/zinc/90/81/32/1348908132.db2.gz WPSJAPGNTKJFAD-GFCCVEGCSA-N -1 3 343.435 2.123 20 30 EEEDHM C=CCC[C@H]1CCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001588579790 1348920280 /nfs/dbraw/zinc/92/02/80/1348920280.db2.gz SLLZPIPQKZZNAR-HNNXBMFYSA-N -1 3 326.404 2.236 20 30 EEEDHM C=CCN(C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001588626305 1348924360 /nfs/dbraw/zinc/92/43/60/1348924360.db2.gz XGUYCEZVXQTZFB-INIZCTEOSA-N -1 3 338.415 2.013 20 30 EEEDHM C=CCN(Cc1cccs1)C(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588653680 1348927099 /nfs/dbraw/zinc/92/70/99/1348927099.db2.gz UAYYLKISFCRANN-UHFFFAOYSA-N -1 3 340.412 2.460 20 30 EEEDHM C=CCN(Cc1cccs1)C(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588653680 1348927103 /nfs/dbraw/zinc/92/71/03/1348927103.db2.gz UAYYLKISFCRANN-UHFFFAOYSA-N -1 3 340.412 2.460 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(c1cccc(-c2nnn[n-]2)c1)C1CCC1 ZINC001588718726 1348930806 /nfs/dbraw/zinc/93/08/06/1348930806.db2.gz RDVUVZLQBVOSJS-CVEARBPZSA-N -1 3 339.399 2.343 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(c1cccc(-c2nn[n-]n2)c1)C1CCC1 ZINC001588718726 1348930810 /nfs/dbraw/zinc/93/08/10/1348930810.db2.gz RDVUVZLQBVOSJS-CVEARBPZSA-N -1 3 339.399 2.343 20 30 EEEDHM CC(C)(C)Oc1ccc(NC(=O)CSCC#N)cc1-c1nnn[n-]1 ZINC001589202803 1348969496 /nfs/dbraw/zinc/96/94/96/1348969496.db2.gz IXGGDAMVPDMXFR-UHFFFAOYSA-N -1 3 346.416 2.239 20 30 EEEDHM CC(C)(C)Oc1ccc(NC(=O)CSCC#N)cc1-c1nn[n-]n1 ZINC001589202803 1348969500 /nfs/dbraw/zinc/96/95/00/1348969500.db2.gz IXGGDAMVPDMXFR-UHFFFAOYSA-N -1 3 346.416 2.239 20 30 EEEDHM CC(C)(C)c1ccc(C#N)c(NCc2cncc(-c3nnn[n-]3)c2)n1 ZINC001589222372 1348971943 /nfs/dbraw/zinc/97/19/43/1348971943.db2.gz YJNOOAHJBTVECV-UHFFFAOYSA-N -1 3 334.387 2.438 20 30 EEEDHM CC(C)(C)c1ccc(C#N)c(NCc2cncc(-c3nn[n-]n3)c2)n1 ZINC001589222372 1348971946 /nfs/dbraw/zinc/97/19/46/1348971946.db2.gz YJNOOAHJBTVECV-UHFFFAOYSA-N -1 3 334.387 2.438 20 30 EEEDHM CC(C)[C@]1(C)C[C@@H]1NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589491060 1348995614 /nfs/dbraw/zinc/99/56/14/1348995614.db2.gz OPRIBLBBEVEWKT-VKJFTORMSA-N -1 3 338.415 2.100 20 30 EEEDHM CC1(C)CC(CNC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590082128 1349143835 /nfs/dbraw/zinc/14/38/35/1349143835.db2.gz XAJOLHJLXLQTNW-OAHLLOKOSA-N -1 3 338.415 2.101 20 30 EEEDHM C[C@@H]1CN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)[C@H]1C ZINC001590284908 1349247402 /nfs/dbraw/zinc/24/74/02/1349247402.db2.gz NTEVBOLVRIGCOL-DVZHBHJUSA-N -1 3 338.415 2.052 20 30 EEEDHM CCC(=NNCCC(=O)OC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590359225 1349282979 /nfs/dbraw/zinc/28/29/79/1349282979.db2.gz UUIXDNBLFZYBDK-UHFFFAOYSA-N -1 3 344.419 2.302 20 30 EEEDHM CCC(=NNCCC(=O)OC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590359225 1349282983 /nfs/dbraw/zinc/28/29/83/1349282983.db2.gz UUIXDNBLFZYBDK-UHFFFAOYSA-N -1 3 344.419 2.302 20 30 EEEDHM CCC(C)(C)N(CCC#N)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590377949 1349292693 /nfs/dbraw/zinc/29/26/93/1349292693.db2.gz SPXXDMUNDYJSPM-UHFFFAOYSA-N -1 3 326.404 2.340 20 30 EEEDHM CCC(C)(C)N(CCC#N)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590377949 1349292702 /nfs/dbraw/zinc/29/27/02/1349292702.db2.gz SPXXDMUNDYJSPM-UHFFFAOYSA-N -1 3 326.404 2.340 20 30 EEEDHM CN(C)c1nc(Cl)c(C=[NH+][N-]c2ccc(-c3nn[n-]n3)cc2)s1 ZINC001591034244 1349433899 /nfs/dbraw/zinc/43/38/99/1349433899.db2.gz ISGQUGXAMALQLU-UHFFFAOYSA-N -1 3 348.823 2.489 20 30 EEEDHM CNc1ccc(C#N)cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001591225503 1349451095 /nfs/dbraw/zinc/45/10/95/1349451095.db2.gz UTKSKYQUGCWHHL-UHFFFAOYSA-N -1 3 333.355 2.341 20 30 EEEDHM CNc1ccc(C#N)cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001591225503 1349451099 /nfs/dbraw/zinc/45/10/99/1349451099.db2.gz UTKSKYQUGCWHHL-UHFFFAOYSA-N -1 3 333.355 2.341 20 30 EEEDHM CO[C@H](C)CNc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001591473212 1349489062 /nfs/dbraw/zinc/48/90/62/1349489062.db2.gz DIDKVEVZUSZQEL-LLVKDONJSA-N -1 3 341.419 2.239 20 30 EEEDHM CO[C@H](C)CNc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001591473212 1349489067 /nfs/dbraw/zinc/48/90/67/1349489067.db2.gz DIDKVEVZUSZQEL-LLVKDONJSA-N -1 3 341.419 2.239 20 30 EEEDHM COc1cc(CNc2cccc(OCC#N)c2)ccc1-c1nnn[n-]1 ZINC001591535910 1349500407 /nfs/dbraw/zinc/50/04/07/1349500407.db2.gz NPICMQHSHNMHKE-UHFFFAOYSA-N -1 3 336.355 2.390 20 30 EEEDHM COc1cc(CNc2cccc(OCC#N)c2)ccc1-c1nn[n-]n1 ZINC001591535910 1349500413 /nfs/dbraw/zinc/50/04/13/1349500413.db2.gz NPICMQHSHNMHKE-UHFFFAOYSA-N -1 3 336.355 2.390 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)cc(NC(=O)C=Cc2ccccc2C#N)n1 ZINC001591857875 1349547223 /nfs/dbraw/zinc/54/72/23/1349547223.db2.gz RKTTVQQIYQIWCV-VOTSOKGWSA-N -1 3 331.339 2.094 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)cc(NC(=O)C=Cc2ccccc2C#N)n1 ZINC001591857875 1349547227 /nfs/dbraw/zinc/54/72/27/1349547227.db2.gz RKTTVQQIYQIWCV-VOTSOKGWSA-N -1 3 331.339 2.094 20 30 EEEDHM N#Cc1cc(NCc2cc(-c3nnn[n-]3)ccc2F)ccc1[N+](=O)[O-] ZINC001592690395 1349706939 /nfs/dbraw/zinc/70/69/39/1349706939.db2.gz YIULEKOTGTVSLP-UHFFFAOYSA-N -1 3 339.290 2.398 20 30 EEEDHM N#Cc1cc(NCc2cc(-c3nn[n-]n3)ccc2F)ccc1[N+](=O)[O-] ZINC001592690395 1349706945 /nfs/dbraw/zinc/70/69/45/1349706945.db2.gz YIULEKOTGTVSLP-UHFFFAOYSA-N -1 3 339.290 2.398 20 30 EEEDHM N#Cc1cccc(C2(C(=O)Oc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC001592702374 1349708824 /nfs/dbraw/zinc/70/88/24/1349708824.db2.gz UUPZQWXCABXABV-UHFFFAOYSA-N -1 3 331.335 2.376 20 30 EEEDHM N#Cc1cccc(C2(C(=O)Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC001592702374 1349708826 /nfs/dbraw/zinc/70/88/26/1349708826.db2.gz UUPZQWXCABXABV-UHFFFAOYSA-N -1 3 331.335 2.376 20 30 EEEDHM N#Cc1ccccc1OCCOC(=O)c1sccc1-c1nnn[n-]1 ZINC001592702089 1349708928 /nfs/dbraw/zinc/70/89/28/1349708928.db2.gz VGCXSZHTVWEYRK-UHFFFAOYSA-N -1 3 341.352 2.036 20 30 EEEDHM N#Cc1cccc2c1CN(c1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])C2 ZINC001592703315 1349709501 /nfs/dbraw/zinc/70/95/01/1349709501.db2.gz NTXRYPXJTMWNNV-UHFFFAOYSA-N -1 3 333.311 2.167 20 30 EEEDHM N#Cc1cccc2c1CN(c1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])C2 ZINC001592703315 1349709505 /nfs/dbraw/zinc/70/95/05/1349709505.db2.gz NTXRYPXJTMWNNV-UHFFFAOYSA-N -1 3 333.311 2.167 20 30 EEEDHM N#Cc1ccc([C@H](O)CN2CCC(c3cc(C(=O)[O-])on3)CC2)cc1 ZINC001601096079 1350208498 /nfs/dbraw/zinc/20/84/98/1350208498.db2.gz NNKWCXZGUBXFKC-MRXNPFEDSA-N -1 3 341.367 2.157 20 30 EEEDHM N#Cc1ccccc1OCCN1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001601126907 1350216601 /nfs/dbraw/zinc/21/66/01/1350216601.db2.gz VEXOBWIPGPHZEP-UHFFFAOYSA-N -1 3 344.411 2.019 20 30 EEEDHM C#C[C@](C)(CC)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC001602690079 1350573947 /nfs/dbraw/zinc/57/39/47/1350573947.db2.gz QYXZAAWRFFRQJG-MRXNPFEDSA-N -1 3 329.408 2.347 20 30 EEEDHM C#C[C@](C)(CC)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC001602690079 1350573948 /nfs/dbraw/zinc/57/39/48/1350573948.db2.gz QYXZAAWRFFRQJG-MRXNPFEDSA-N -1 3 329.408 2.347 20 30 EEEDHM C#CCN1CCC(C(=O)Nc2ncc(C(=O)[O-])c3ccccc32)CC1 ZINC001602720825 1350577780 /nfs/dbraw/zinc/57/77/80/1350577780.db2.gz IQJGOMBFOPCICC-UHFFFAOYSA-N -1 3 337.379 2.217 20 30 EEEDHM C=C1CCC(CNC(=O)CNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001602775788 1350585076 /nfs/dbraw/zinc/58/50/76/1350585076.db2.gz RGWXVNMAQKLXJR-UHFFFAOYSA-N -1 3 326.404 2.141 20 30 EEEDHM C=CCCC(=O)NC[C@H](Nc1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001602826409 1350591937 /nfs/dbraw/zinc/59/19/37/1350591937.db2.gz GLCOFMUBXVUAES-AWEZNQCLSA-N -1 3 343.435 2.089 20 30 EEEDHM C=CCCC(=O)NC[C@H](Nc1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001602826409 1350591941 /nfs/dbraw/zinc/59/19/41/1350591941.db2.gz GLCOFMUBXVUAES-AWEZNQCLSA-N -1 3 343.435 2.089 20 30 EEEDHM C=CCCC(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001602826221 1350592080 /nfs/dbraw/zinc/59/20/80/1350592080.db2.gz COPVBONHTJGACI-GFCCVEGCSA-N -1 3 344.394 2.057 20 30 EEEDHM C=CCCC(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001602826221 1350592082 /nfs/dbraw/zinc/59/20/82/1350592082.db2.gz COPVBONHTJGACI-GFCCVEGCSA-N -1 3 344.394 2.057 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001602858505 1350598007 /nfs/dbraw/zinc/59/80/07/1350598007.db2.gz RZXQLBJFZQLLOU-STQMWFEESA-N -1 3 333.342 2.283 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001602858505 1350598010 /nfs/dbraw/zinc/59/80/10/1350598010.db2.gz RZXQLBJFZQLLOU-STQMWFEESA-N -1 3 333.342 2.283 20 30 EEEDHM C=CCSCCNC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001602869634 1350598670 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JQBKFIWGUAWJPQ-UHFFFAOYSA-N -1 3 327.315 2.290 20 30 EEEDHM C#CCCCCCOC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000760259512 577659563 /nfs/dbraw/zinc/65/95/63/577659563.db2.gz XNAOSLXPCXXWKQ-UHFFFAOYSA-N -1 3 341.404 2.231 20 30 EEEDHM COc1cc(Br)cc(C=NNc2cnn(C)c2)c1[O-] ZINC000761868187 577690488 /nfs/dbraw/zinc/69/04/88/577690488.db2.gz XQUMHXSMWOCVKJ-UHFFFAOYSA-N -1 3 325.166 2.343 20 30 EEEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CCO)C2CC2)c(C(F)(F)F)c1 ZINC000751444237 577752822 /nfs/dbraw/zinc/75/28/22/577752822.db2.gz ZOHUJWZMKRWOCH-GFCCVEGCSA-N -1 3 348.346 2.016 20 30 EEEDHM Cc1ccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c([O-])c1 ZINC000756888614 577852511 /nfs/dbraw/zinc/85/25/11/577852511.db2.gz XJWGSUCLUHDLQB-JSGCOSHPSA-N -1 3 345.399 2.190 20 30 EEEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C3CC3)n(C)n2)cc1 ZINC000744033675 577892334 /nfs/dbraw/zinc/89/23/34/577892334.db2.gz URDNAFHSEYEQNP-AWEZNQCLSA-N -1 3 338.367 2.267 20 30 EEEDHM CCC[C@H](C)OC(=O)CCC/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000748102253 577955144 /nfs/dbraw/zinc/95/51/44/577955144.db2.gz OOHVVPGSFWQKMG-LBPRGKRZSA-N -1 3 338.429 2.237 20 30 EEEDHM N#CC(C(=O)CCNC(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000739075554 578037316 /nfs/dbraw/zinc/03/73/16/578037316.db2.gz SVPWMLIBBGMYGN-JTQLQIEISA-N -1 3 344.154 2.298 20 30 EEEDHM N#Cc1ccc([C@H](C(=O)[O-])N2CCC[C@@H](N3CCCCC3=O)C2)cc1 ZINC000739105618 578038994 /nfs/dbraw/zinc/03/89/94/578038994.db2.gz NETUSYAKFBQNOM-SJLPKXTDSA-N -1 3 341.411 2.161 20 30 EEEDHM C#CCOC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735381929 578151014 /nfs/dbraw/zinc/15/10/14/578151014.db2.gz SIKWXNMSUCWZDX-UHFFFAOYSA-N -1 3 334.335 2.236 20 30 EEEDHM C#CCOC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735381929 578151016 /nfs/dbraw/zinc/15/10/16/578151016.db2.gz SIKWXNMSUCWZDX-UHFFFAOYSA-N -1 3 334.335 2.236 20 30 EEEDHM C=CCCCN(C)C(=O)[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000735408073 578152598 /nfs/dbraw/zinc/15/25/98/578152598.db2.gz FQBCSYFTQUGBSY-MRXNPFEDSA-N -1 3 340.431 2.260 20 30 EEEDHM C=CCCCN(C)C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000735408073 578152599 /nfs/dbraw/zinc/15/25/99/578152599.db2.gz FQBCSYFTQUGBSY-MRXNPFEDSA-N -1 3 340.431 2.260 20 30 EEEDHM C=CCOc1ccccc1CNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735437190 578153695 /nfs/dbraw/zinc/15/36/95/578153695.db2.gz ZNEVFLDDPZOKMH-UHFFFAOYSA-N -1 3 335.367 2.362 20 30 EEEDHM C=CCOc1ccccc1CNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735437190 578153696 /nfs/dbraw/zinc/15/36/96/578153696.db2.gz ZNEVFLDDPZOKMH-UHFFFAOYSA-N -1 3 335.367 2.362 20 30 EEEDHM CC(=O)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)s1 ZINC000735496229 578155817 /nfs/dbraw/zinc/15/58/17/578155817.db2.gz ZAVISWDQTCEPGF-UHFFFAOYSA-N -1 3 338.352 2.255 20 30 EEEDHM CC(=O)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)s1 ZINC000735496229 578155818 /nfs/dbraw/zinc/15/58/18/578155818.db2.gz ZAVISWDQTCEPGF-UHFFFAOYSA-N -1 3 338.352 2.255 20 30 EEEDHM CC(C)(C)CN(CCC#N)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735602345 578161019 /nfs/dbraw/zinc/16/10/19/578161019.db2.gz MMWSDFIOYWJPPS-UHFFFAOYSA-N -1 3 341.419 2.067 20 30 EEEDHM CC(C)(C)CN(CCC#N)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735602345 578161020 /nfs/dbraw/zinc/16/10/20/578161020.db2.gz MMWSDFIOYWJPPS-UHFFFAOYSA-N -1 3 341.419 2.067 20 30 EEEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(OC)ccn1 ZINC000735910687 578172398 /nfs/dbraw/zinc/17/23/98/578172398.db2.gz BQIYXOBLBFJNEO-CYBMUJFWSA-N -1 3 339.351 2.450 20 30 EEEDHM CC(C#N)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000736203605 578187128 /nfs/dbraw/zinc/18/71/28/578187128.db2.gz UQZLZQORVAUANY-KCJUWKMLSA-N -1 3 325.162 2.241 20 30 EEEDHM CCCCCCCC(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736446168 578204237 /nfs/dbraw/zinc/20/42/37/578204237.db2.gz NYGAUBZFKBONDF-HNNXBMFYSA-N -1 3 345.403 2.297 20 30 EEEDHM CCCCCCCC(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736446168 578204238 /nfs/dbraw/zinc/20/42/38/578204238.db2.gz NYGAUBZFKBONDF-HNNXBMFYSA-N -1 3 345.403 2.297 20 30 EEEDHM CCc1nc(C)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)s1 ZINC000736698076 578218524 /nfs/dbraw/zinc/21/85/24/578218524.db2.gz HZVAUZBTQIITGI-UHFFFAOYSA-N -1 3 339.384 2.318 20 30 EEEDHM CCc1nc(C)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)s1 ZINC000736698076 578218525 /nfs/dbraw/zinc/21/85/25/578218525.db2.gz HZVAUZBTQIITGI-UHFFFAOYSA-N -1 3 339.384 2.318 20 30 EEEDHM N#Cc1ccccc1N1CCN(Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000737727021 578268721 /nfs/dbraw/zinc/26/87/21/578268721.db2.gz BQLSXQCFNRGZSA-UHFFFAOYSA-N -1 3 345.410 2.061 20 30 EEEDHM N#Cc1ccccc1N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000737727021 578268722 /nfs/dbraw/zinc/26/87/22/578268722.db2.gz BQLSXQCFNRGZSA-UHFFFAOYSA-N -1 3 345.410 2.061 20 30 EEEDHM C=CCNc1ncc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000819751152 607323830 /nfs/dbraw/zinc/32/38/30/607323830.db2.gz SFDBAHXWTSYMSW-UHFFFAOYSA-N -1 3 345.363 2.313 20 30 EEEDHM C=CCNc1ncc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000819751152 607323831 /nfs/dbraw/zinc/32/38/31/607323831.db2.gz SFDBAHXWTSYMSW-UHFFFAOYSA-N -1 3 345.363 2.313 20 30 EEEDHM COc1ccc(C#N)cc1COC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821770001 607409634 /nfs/dbraw/zinc/40/96/34/607409634.db2.gz MYJPHQIBSBVGIE-UHFFFAOYSA-N -1 3 335.323 2.104 20 30 EEEDHM COc1ccc(C#N)cc1COC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821770001 607409635 /nfs/dbraw/zinc/40/96/35/607409635.db2.gz MYJPHQIBSBVGIE-UHFFFAOYSA-N -1 3 335.323 2.104 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1sccc1C#N ZINC000826254516 607411953 /nfs/dbraw/zinc/41/19/53/607411953.db2.gz PFFXKXUGHZVQKT-UHFFFAOYSA-N -1 3 325.353 2.465 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1sccc1C#N ZINC000826254516 607411954 /nfs/dbraw/zinc/41/19/54/607411954.db2.gz PFFXKXUGHZVQKT-UHFFFAOYSA-N -1 3 325.353 2.465 20 30 EEEDHM N#Cc1ccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)s1 ZINC000826384029 607416081 /nfs/dbraw/zinc/41/60/81/607416081.db2.gz CVQMUJMNRBSHAX-UHFFFAOYSA-N -1 3 336.380 2.219 20 30 EEEDHM N#Cc1ccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)s1 ZINC000826384029 607416083 /nfs/dbraw/zinc/41/60/83/607416083.db2.gz CVQMUJMNRBSHAX-UHFFFAOYSA-N -1 3 336.380 2.219 20 30 EEEDHM C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828410569 601512232 /nfs/dbraw/zinc/51/22/32/601512232.db2.gz BJOBQCAQWSNMGK-WWGRRREGSA-N -1 3 347.390 2.113 20 30 EEEDHM COc1ccc(COC(=O)c2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000826206325 607594147 /nfs/dbraw/zinc/59/41/47/607594147.db2.gz NMULDXVOBZPLCX-UHFFFAOYSA-N -1 3 335.323 2.104 20 30 EEEDHM COc1ccc(COC(=O)c2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000826206325 607594151 /nfs/dbraw/zinc/59/41/51/607594151.db2.gz NMULDXVOBZPLCX-UHFFFAOYSA-N -1 3 335.323 2.104 20 30 EEEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000819958460 606319247 /nfs/dbraw/zinc/31/92/47/606319247.db2.gz LWDIDTJIFWIREB-HNNXBMFYSA-N -1 3 349.398 2.487 20 30 EEEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000819958460 606319249 /nfs/dbraw/zinc/31/92/49/606319249.db2.gz LWDIDTJIFWIREB-HNNXBMFYSA-N -1 3 349.398 2.487 20 30 EEEDHM C[C@@H](OC(=O)COc1ccccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497404 606349202 /nfs/dbraw/zinc/34/92/02/606349202.db2.gz QZHNSJAKYTVADJ-GFCCVEGCSA-N -1 3 349.350 2.422 20 30 EEEDHM C[C@@H](OC(=O)COc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497404 606349205 /nfs/dbraw/zinc/34/92/05/606349205.db2.gz QZHNSJAKYTVADJ-GFCCVEGCSA-N -1 3 349.350 2.422 20 30 EEEDHM CCOc1cc(C#N)ccc1OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821394408 606461030 /nfs/dbraw/zinc/46/10/30/606461030.db2.gz JHXUOYCJOCCOLA-UHFFFAOYSA-N -1 3 341.352 2.418 20 30 EEEDHM CCOc1cc(C#N)ccc1OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821394408 606461031 /nfs/dbraw/zinc/46/10/31/606461031.db2.gz JHXUOYCJOCCOLA-UHFFFAOYSA-N -1 3 341.352 2.418 20 30 EEEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCCCCC#N ZINC000820001590 607089199 /nfs/dbraw/zinc/08/91/99/607089199.db2.gz UHFZFXULTFPZEJ-UHFFFAOYSA-N -1 3 329.360 2.261 20 30 EEEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCCC#N ZINC000820001590 607089201 /nfs/dbraw/zinc/08/92/01/607089201.db2.gz UHFZFXULTFPZEJ-UHFFFAOYSA-N -1 3 329.360 2.261 20 30 EEEDHM Cc1c(C(=O)C=Cc2cncs2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822015293 607122419 /nfs/dbraw/zinc/12/24/19/607122419.db2.gz GXUJCPBGINLBLF-SNAWJCMRSA-N -1 3 326.385 2.275 20 30 EEEDHM Cc1c(C(=O)C=Cc2cncs2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822015293 607122421 /nfs/dbraw/zinc/12/24/21/607122421.db2.gz GXUJCPBGINLBLF-SNAWJCMRSA-N -1 3 326.385 2.275 20 30 EEEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(CC#N)cc1 ZINC000826186002 607981237 /nfs/dbraw/zinc/98/12/37/607981237.db2.gz ADSCCBLKKJCXEF-UHFFFAOYSA-N -1 3 334.339 2.194 20 30 EEEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(CC#N)cc1 ZINC000826186002 607981238 /nfs/dbraw/zinc/98/12/38/607981238.db2.gz ADSCCBLKKJCXEF-UHFFFAOYSA-N -1 3 334.339 2.194 20 30 EEEDHM N#CCc1ccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826381848 607995733 /nfs/dbraw/zinc/99/57/33/607995733.db2.gz BGLSQJHWIWBEFK-UHFFFAOYSA-N -1 3 344.378 2.352 20 30 EEEDHM N#CCc1ccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826381848 607995734 /nfs/dbraw/zinc/99/57/34/607995734.db2.gz BGLSQJHWIWBEFK-UHFFFAOYSA-N -1 3 344.378 2.352 20 30 EEEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)nn1 ZINC000824261618 608405694 /nfs/dbraw/zinc/40/56/94/608405694.db2.gz NMELLGWPZCCSTG-UHFFFAOYSA-N -1 3 334.387 2.191 20 30 EEEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)nn1 ZINC000824261618 608405696 /nfs/dbraw/zinc/40/56/96/608405696.db2.gz NMELLGWPZCCSTG-UHFFFAOYSA-N -1 3 334.387 2.191 20 30 EEEDHM C=CC[C@H](CO)CNc1ccc(-c2nn[n-]n2)cc1Br ZINC000823888461 608410993 /nfs/dbraw/zinc/41/09/93/608410993.db2.gz MZWIAUFIGAEEKS-VIFPVBQESA-N -1 3 338.209 2.226 20 30 EEEDHM C=C1CCN(C(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)CC1 ZINC000823883747 609152461 /nfs/dbraw/zinc/15/24/61/609152461.db2.gz ZJUJYZQQWJMREW-UHFFFAOYSA-N -1 3 349.398 2.153 20 30 EEEDHM C=C1CCN(C(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)CC1 ZINC000823883747 609152463 /nfs/dbraw/zinc/15/24/63/609152463.db2.gz ZJUJYZQQWJMREW-UHFFFAOYSA-N -1 3 349.398 2.153 20 30 EEEDHM N#CCc1ccccc1CC(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000826382559 609237399 /nfs/dbraw/zinc/23/73/99/609237399.db2.gz JVLVNPGGZUMTHO-UHFFFAOYSA-N -1 3 337.314 2.220 20 30 EEEDHM N#CCc1ccccc1CC(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000826382559 609237402 /nfs/dbraw/zinc/23/74/02/609237402.db2.gz JVLVNPGGZUMTHO-UHFFFAOYSA-N -1 3 337.314 2.220 20 30 EEEDHM O=[N+]([O-])c1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000826497974 609474529 /nfs/dbraw/zinc/47/45/29/609474529.db2.gz BFZPNSGGTANIDC-UHFFFAOYSA-N -1 3 333.695 2.467 20 30 EEEDHM O=[N+]([O-])c1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000826497974 609474530 /nfs/dbraw/zinc/47/45/30/609474530.db2.gz BFZPNSGGTANIDC-UHFFFAOYSA-N -1 3 333.695 2.467 20 30 EEEDHM Cn1cc(C#N)cc1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826358433 609617635 /nfs/dbraw/zinc/61/76/35/609617635.db2.gz UAIDSDLUODGJBH-UHFFFAOYSA-N -1 3 342.746 2.087 20 30 EEEDHM Cn1cc(C#N)cc1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826358433 609617636 /nfs/dbraw/zinc/61/76/36/609617636.db2.gz UAIDSDLUODGJBH-UHFFFAOYSA-N -1 3 342.746 2.087 20 30 EEEDHM C=CCOCCNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823926017 609641570 /nfs/dbraw/zinc/64/15/70/609641570.db2.gz VUKHUJWWNWIGEV-UHFFFAOYSA-N -1 3 349.394 2.466 20 30 EEEDHM C=CCOCCNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823926017 609641572 /nfs/dbraw/zinc/64/15/72/609641572.db2.gz VUKHUJWWNWIGEV-UHFFFAOYSA-N -1 3 349.394 2.466 20 30 EEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(=O)C[C@@H]1C1CC1 ZINC000891777925 676826714 /nfs/dbraw/zinc/82/67/14/676826714.db2.gz XLOKKZOXROGKRR-QGZVFWFLSA-N -1 3 341.411 2.178 20 30 EEEDHM C[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])CCN1c1ncccc1C#N ZINC001067504256 677967980 /nfs/dbraw/zinc/96/79/80/677967980.db2.gz CJXGWENBICXJJO-ZFWWWQNUSA-N -1 3 336.395 2.446 20 30 EEEDHM C=CCC1(O)CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000899586381 693800398 /nfs/dbraw/zinc/80/03/98/693800398.db2.gz YMTPDNSPTZQRIM-UHFFFAOYSA-N -1 3 343.427 2.138 20 30 EEEDHM N#Cc1cnccc1N[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]12 ZINC001060500388 683909764 /nfs/dbraw/zinc/90/97/64/683909764.db2.gz TXSZMUSPPKKCRB-MZMPZRCHSA-N -1 3 348.406 2.043 20 30 EEEDHM C=C(Br)CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000176127547 688685712 /nfs/dbraw/zinc/68/57/12/688685712.db2.gz HMWHOMLMLMEOFE-UHFFFAOYSA-N -1 3 328.210 2.014 20 30 EEEDHM C=C[C@H](C(=O)N1CC(NC(=O)c2ccccc2[O-])C1)c1ccccc1 ZINC000990280400 692794722 /nfs/dbraw/zinc/79/47/22/692794722.db2.gz SANAGVBRYBNUPL-INIZCTEOSA-N -1 3 336.391 2.303 20 30 EEEDHM COC(=O)[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)cc1 ZINC000811187880 1199916841 /nfs/dbraw/zinc/91/68/41/1199916841.db2.gz OIZDEAPWSLDYIS-HNNXBMFYSA-N -1 3 329.283 2.474 20 30 EEEDHM Cc1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1N1CCCC1 ZINC000881000084 1201619656 /nfs/dbraw/zinc/61/96/56/1201619656.db2.gz IPJCQCLBRZDOKG-CQSZACIVSA-N -1 3 332.404 2.097 20 30 EEEDHM C#CCN1C[C@]2(CC1=O)CCCCN2Cc1c(F)ccc([O-])c1F ZINC001274167794 1204427521 /nfs/dbraw/zinc/42/75/21/1204427521.db2.gz ILFCFWBGAUTVRP-GOSISDBHSA-N -1 3 334.366 2.261 20 30 EEEDHM C=C(Cl)CN1CCCCC[C@@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC000968997723 1221728082 /nfs/dbraw/zinc/72/80/82/1221728082.db2.gz DHOBJCTXPYJTNB-CYBMUJFWSA-N -1 3 338.839 2.218 20 30 EEEDHM C=C(Cl)CN1CCC[C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001008782352 1223035818 /nfs/dbraw/zinc/03/58/18/1223035818.db2.gz AUMRLXKAASXLES-GFCCVEGCSA-N -1 3 336.823 2.006 20 30 EEEDHM N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)c3ccccc3[O-])C23CCC3)nn1 ZINC001041550050 1231591617 /nfs/dbraw/zinc/59/16/17/1231591617.db2.gz VDQORMNJLQTPHX-JKSUJKDBSA-N -1 3 349.394 2.207 20 30 EEEDHM COC[C@H](NC(=O)OC(C)(C)C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000900677682 1234644753 /nfs/dbraw/zinc/64/47/53/1234644753.db2.gz BEIAGRJJCQQUGK-ZDUSSCGKSA-N -1 3 342.367 2.083 20 30 EEEDHM Cc1nsc(N[C@@H]2CCN(C(=O)c3ccccc3[O-])C2)c1C#N ZINC001056560719 1239441567 /nfs/dbraw/zinc/44/15/67/1239441567.db2.gz OPOHKSWATUIMOU-LLVKDONJSA-N -1 3 328.397 2.355 20 30 EEEDHM C[C@@H]1CCN(c2ncccc2C#N)C[C@@H]1NC(=O)c1ccccc1[O-] ZINC001067917877 1249969542 /nfs/dbraw/zinc/96/95/42/1249969542.db2.gz DIVRQMXVDXGVHJ-CJNGLKHVSA-N -1 3 336.395 2.304 20 30 EEEDHM C[C@H]1C[C@@H](CNc2ccc(C#N)nn2)CN1C(=O)c1ccccc1[O-] ZINC001068292041 1250707696 /nfs/dbraw/zinc/70/76/96/1250707696.db2.gz FUZFAQYHKDYEKV-STQMWFEESA-N -1 3 337.383 2.017 20 30 EEEDHM CN(c1ccc(C#N)nc1)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001068646102 1251456986 /nfs/dbraw/zinc/45/69/86/1251456986.db2.gz JCSPINBHCIQDBC-UHFFFAOYSA-N -1 3 336.395 2.400 20 30 EEEDHM Cc1cccc([O-])c1C(=O)N1CCCN(c2ccc(C#N)cn2)CC1 ZINC001188647456 1279946667 /nfs/dbraw/zinc/94/66/67/1279946667.db2.gz VTEDJJWTRJHBRO-UHFFFAOYSA-N -1 3 336.395 2.320 20 30 EEEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cncn2CC2CCC2)c1 ZINC001190677083 1281016310 /nfs/dbraw/zinc/01/63/10/1281016310.db2.gz IHBRYOJWDRBOSX-UHFFFAOYSA-N -1 3 348.403 2.172 20 30 EEEDHM O=S(=O)([N-]CCCS)c1cc(Br)ccc1F ZINC001195508523 1283591522 /nfs/dbraw/zinc/59/15/22/1283591522.db2.gz PSZLVODHZOUHKL-UHFFFAOYSA-N -1 3 328.228 2.186 20 30 EEEDHM C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)C1=O ZINC001273706088 1283724757 /nfs/dbraw/zinc/72/47/57/1283724757.db2.gz CAXSIFXCJDJDNJ-LJQANCHMSA-N -1 3 344.411 2.091 20 30 EEEDHM C=C(C)CN1CC[C@@]2(CC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)C1=O ZINC001273706088 1283724766 /nfs/dbraw/zinc/72/47/66/1283724766.db2.gz CAXSIFXCJDJDNJ-LJQANCHMSA-N -1 3 344.411 2.091 20 30 EEEDHM N#Cc1cnc(NC[C@@H]2CC[C@@H](NC(=O)c3ccccc3[O-])C2)cn1 ZINC001069434403 1285747631 /nfs/dbraw/zinc/74/76/31/1285747631.db2.gz PHUVNNHAKIXJQW-CHWSQXEVSA-N -1 3 337.383 2.064 20 30 EEEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)cc1C#N ZINC001201319778 1289475109 /nfs/dbraw/zinc/47/51/09/1289475109.db2.gz JKFXBTLQGMZOPL-UHFFFAOYSA-N -1 3 344.392 2.445 20 30 EEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccncc2C)ccc1F ZINC000107292643 1290370709 /nfs/dbraw/zinc/37/07/09/1290370709.db2.gz GMPGATPJTAVJEM-UHFFFAOYSA-N -1 3 349.387 2.246 20 30 EEEDHM CCCCCCCN1C[C@H]2OCCN(C(=O)c3ncccc3[O-])[C@H]2C1 ZINC001217675864 1297485139 /nfs/dbraw/zinc/48/51/39/1297485139.db2.gz ZXRIMEQFJAKDDT-DOTOQJQBSA-N -1 3 347.459 2.283 20 30 EEEDHM Cn1cc(CN2CCC23CN(Cc2occc2[S-])C3)cc1C#N ZINC001276847812 1299913990 /nfs/dbraw/zinc/91/39/90/1299913990.db2.gz HDPBVMAEKAHSCE-UHFFFAOYSA-N -1 3 328.441 2.239 20 30 EEEDHM C=C[C@H](Oc1cc(C)cc([O-])c1I)C(=O)OC ZINC001225510136 1301030189 /nfs/dbraw/zinc/03/01/89/1301030189.db2.gz CUICYLRPNUBSCM-VIFPVBQESA-N -1 3 348.136 2.412 20 30 EEEDHM C=CCOCC(COCC=C)Oc1[n-]c(=O)ncc1C(F)(F)F ZINC001225579333 1301072774 /nfs/dbraw/zinc/07/27/74/1301072774.db2.gz LADGGTWHGMUYSN-UHFFFAOYSA-N -1 3 334.294 2.354 20 30 EEEDHM Cc1cnc(=S)[n-]c1OC1CCN(c2cc(C#N)ccn2)CC1 ZINC001225741294 1301141881 /nfs/dbraw/zinc/14/18/81/1301141881.db2.gz UVNLOXDYYOJTKM-UHFFFAOYSA-N -1 3 327.413 2.388 20 30 EEEDHM Cc1cnc(=S)[n-]c1O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC001225742536 1301143610 /nfs/dbraw/zinc/14/36/10/1301143610.db2.gz LLAPQAASFXWQJH-WDEREUQCSA-N -1 3 336.417 2.212 20 30 EEEDHM C[C@@H](c1ccccn1)N1CC[C@@H](Oc2[n-]c(=O)c(F)cc2C#N)C1 ZINC001226008911 1301231559 /nfs/dbraw/zinc/23/15/59/1301231559.db2.gz NZZSWIWAARWIBZ-WCQYABFASA-N -1 3 328.347 2.407 20 30 EEEDHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]2Oc1nccc(/C=N/[O-])n1 ZINC001226257328 1301324407 /nfs/dbraw/zinc/32/44/07/1301324407.db2.gz MUXXWGBOVRWCSW-AYDRRETOSA-N -1 3 334.376 2.204 20 30 EEEDHM CCc1nc(O[C@@H]2C[C@@H](C#N)N(C(=O)OC(C)(C)C)C2)cc(=O)[n-]1 ZINC001226474237 1301428050 /nfs/dbraw/zinc/42/80/50/1301428050.db2.gz DBYGXRCJGKAUIO-WDEREUQCSA-N -1 3 334.376 2.025 20 30 EEEDHM C=CCCCCCCN1Cc2[nH]nc(C(=O)[N-]c3nnco3)c2C1 ZINC001277153893 1301544389 /nfs/dbraw/zinc/54/43/89/1301544389.db2.gz ZCEFVFLBODEISE-UHFFFAOYSA-N -1 3 330.392 2.497 20 30 EEEDHM N#Cc1ccc(CN2CCN(CCOc3ccccc3)CC2)c([O-])c1 ZINC001233386289 1304453777 /nfs/dbraw/zinc/45/37/77/1304453777.db2.gz NSLAXUOSKZHSAC-UHFFFAOYSA-N -1 3 337.423 2.460 20 30 EEEDHM C[C@@H](CCCNc1ccc(C#N)cn1)NC(=O)c1cccc2n[n-]nc21 ZINC001115002156 1304593708 /nfs/dbraw/zinc/59/37/08/1304593708.db2.gz OQKJCPLBEJPXHD-LBPRGKRZSA-N -1 3 349.398 2.235 20 30 EEEDHM C=CCC[C@H](O)CNc1ccc(Br)cc1-c1nn[n-]n1 ZINC001252611510 1317647272 /nfs/dbraw/zinc/64/72/72/1317647272.db2.gz GBDYXBOKJNLLAX-JTQLQIEISA-N -1 3 338.209 2.368 20 30 EEEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc3n(n2)CCCC3)cc1 ZINC000835064842 1314896455 /nfs/dbraw/zinc/89/64/55/1314896455.db2.gz KRYZLXOZSFWYGU-OAHLLOKOSA-N -1 3 338.367 2.189 20 30 EEEDHM C=C[C@H]1C[C@@]1(NC(=O)c1c([O-])c(C)nc2ccccc21)C(=O)OCC ZINC001149205486 1315930848 /nfs/dbraw/zinc/93/08/48/1315930848.db2.gz BTYIOXITLCVFAV-BUXKBTBVSA-N -1 3 340.379 2.486 20 30 EEEDHM C=CCC[C@H](O)CNc1ccc(Br)cc1-c1nnn[n-]1 ZINC001252611510 1317647267 /nfs/dbraw/zinc/64/72/67/1317647267.db2.gz GBDYXBOKJNLLAX-JTQLQIEISA-N -1 3 338.209 2.368 20 30 EEEDHM N#Cc1ccccc1S(=O)(=O)Nc1cc(=O)[n-]n1C1CCCC1 ZINC001258196596 1319208206 /nfs/dbraw/zinc/20/82/06/1319208206.db2.gz XNXLHFDAIGLAAP-UHFFFAOYSA-N -1 3 332.385 2.376 20 30 EEEDHM COC(=O)n1ncc(C#N)c1[N-]c1ncccc1C(=O)OC(C)C ZINC001158970423 1319538892 /nfs/dbraw/zinc/53/88/92/1319538892.db2.gz VTBLERBBDRHVDI-UHFFFAOYSA-N -1 3 329.316 2.073 20 30 EEEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(-n3nccn3)cc2)ccc1F ZINC001259418599 1319562334 /nfs/dbraw/zinc/56/23/34/1319562334.db2.gz HIYIDVGGZWQTST-UHFFFAOYSA-N -1 3 343.343 2.079 20 30 EEEDHM N#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)CC1 ZINC001261073351 1322010177 /nfs/dbraw/zinc/01/01/77/1322010177.db2.gz BTJHILDFCFHVEO-KYZUINATSA-N -1 3 340.792 2.237 20 30 EEEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCc2ccsc2C1 ZINC001262957317 1322405819 /nfs/dbraw/zinc/40/58/19/1322405819.db2.gz PEQSZGKAWKCMKA-UHFFFAOYSA-N -1 3 340.412 2.251 20 30 EEEDHM C=C[C@H](COC)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC001320305668 1332859278 /nfs/dbraw/zinc/85/92/78/1332859278.db2.gz BZSLKBPOBBTIQL-SNVBAGLBSA-N -1 3 329.194 2.155 20 30 EEEDHM C=C(C)C(C)(C)C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001609051026 1351823752 /nfs/dbraw/zinc/82/37/52/1351823752.db2.gz MBOPPYDIBHXTPP-UHFFFAOYSA-N -1 3 335.389 2.012 20 30 EEEDHM C=C(C)C(C)(C)C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001609051026 1351823754 /nfs/dbraw/zinc/82/37/54/1351823754.db2.gz MBOPPYDIBHXTPP-UHFFFAOYSA-N -1 3 335.389 2.012 20 30 EEEDHM C=CCN(CC(=O)N[C@H](C)C(C)C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609055929 1351826312 /nfs/dbraw/zinc/82/63/12/1351826312.db2.gz FZZIPRWNNNZRFW-CQSZACIVSA-N -1 3 342.447 2.015 20 30 EEEDHM CC#CCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC001609060066 1351827482 /nfs/dbraw/zinc/82/74/82/1351827482.db2.gz WQTBJJKHNKCZSQ-UHFFFAOYSA-N -1 3 340.431 2.448 20 30 EEEDHM CC#CCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC001609060066 1351827486 /nfs/dbraw/zinc/82/74/86/1351827486.db2.gz WQTBJJKHNKCZSQ-UHFFFAOYSA-N -1 3 340.431 2.448 20 30 EEEDHM CCCN1c2ccccc2C(=N[N-]c2nncc(N)c2Cl)C1=O ZINC001322628975 1333296876 /nfs/dbraw/zinc/29/68/76/1333296876.db2.gz CAQVAOUOEGWACN-UHFFFAOYSA-N -1 3 330.779 2.285 20 30 EEEDHM CC(C)CCN(C)C(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609094452 1351840370 /nfs/dbraw/zinc/84/03/70/1351840370.db2.gz YZUPHAPZPNHKDB-HNNXBMFYSA-N -1 3 326.404 2.053 20 30 EEEDHM CN(C)c1ncccc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609271019 1351917065 /nfs/dbraw/zinc/91/70/65/1351917065.db2.gz QQCRFHAGVMOZPF-WAYWQWQTSA-N -1 3 326.385 2.285 20 30 EEEDHM CN(Cc1cccc(C#N)c1)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001609280317 1351921023 /nfs/dbraw/zinc/92/10/23/1351921023.db2.gz RGMVRYIIZAAQJT-MDZDMXLPSA-N -1 3 344.378 2.410 20 30 EEEDHM CN(Cc1cccc(C#N)c1)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001609280317 1351921025 /nfs/dbraw/zinc/92/10/25/1351921025.db2.gz RGMVRYIIZAAQJT-MDZDMXLPSA-N -1 3 344.378 2.410 20 30 EEEDHM C#CC[C@H](NC(=O)C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC001328770765 1334518148 /nfs/dbraw/zinc/51/81/48/1334518148.db2.gz KAFGBMHUGOQOBD-INIZCTEOSA-N -1 3 340.354 2.028 20 30 EEEDHM COc1cc(OCCOc2ccc(C#N)cc2)cc(-c2nnn[n-]2)c1 ZINC001609348256 1351941826 /nfs/dbraw/zinc/94/18/26/1351941826.db2.gz LFHCAVMMDNMQMI-UHFFFAOYSA-N -1 3 337.339 2.205 20 30 EEEDHM COc1cc(OCCOc2ccc(C#N)cc2)cc(-c2nn[n-]n2)c1 ZINC001609348256 1351941828 /nfs/dbraw/zinc/94/18/28/1351941828.db2.gz LFHCAVMMDNMQMI-UHFFFAOYSA-N -1 3 337.339 2.205 20 30 EEEDHM N#Cc1ccsc1C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001609500755 1351999773 /nfs/dbraw/zinc/99/97/73/1351999773.db2.gz VZHJQOUQADNEMD-UHFFFAOYSA-N -1 3 341.352 2.036 20 30 EEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(C)Cc1ncc(CC)s1 ZINC001339014030 1336945065 /nfs/dbraw/zinc/94/50/65/1336945065.db2.gz BYDYXXUBDJRBOS-UHFFFAOYSA-N -1 3 346.416 2.480 20 30 EEEDHM C#C[C@@H](C)N(C)c1nnc(-c2c[n-]oc2=O)n1Cc1cccs1 ZINC001343569972 1337337949 /nfs/dbraw/zinc/33/79/49/1337337949.db2.gz BROCTWOWEAJTIJ-SNVBAGLBSA-N -1 3 329.385 2.206 20 30 EEEDHM C#CCCCCCC(=O)N[C@@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001347304736 1337502583 /nfs/dbraw/zinc/50/25/83/1337502583.db2.gz FKVWGXFHWBQEBL-OAHLLOKOSA-N -1 3 330.432 2.159 20 30 EEEDHM Cc1cc(C(=O)N2CCCc3cc(-c4nnn[n-]4)ccc32)ncc1C#N ZINC001580808257 1344561388 /nfs/dbraw/zinc/56/13/88/1344561388.db2.gz ZJCDIJRTOFSQRY-UHFFFAOYSA-N -1 3 345.366 2.035 20 30 EEEDHM Cc1cc(C(=O)N2CCCc3cc(-c4nn[n-]n4)ccc32)ncc1C#N ZINC001580808257 1344561390 /nfs/dbraw/zinc/56/13/90/1344561390.db2.gz ZJCDIJRTOFSQRY-UHFFFAOYSA-N -1 3 345.366 2.035 20 30 EEEDHM Cc1cc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)ncc1-c1nnn[n-]1 ZINC001580981139 1344577884 /nfs/dbraw/zinc/57/78/84/1344577884.db2.gz BVKQQKNYHFGUGO-LLVKDONJSA-N -1 3 348.370 2.325 20 30 EEEDHM Cc1cc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)ncc1-c1nn[n-]n1 ZINC001580981139 1344577886 /nfs/dbraw/zinc/57/78/86/1344577886.db2.gz BVKQQKNYHFGUGO-LLVKDONJSA-N -1 3 348.370 2.325 20 30 EEEDHM N#Cc1ccc(SCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])nc1 ZINC001581874471 1344684305 /nfs/dbraw/zinc/68/43/05/1344684305.db2.gz SWKTVFQYFGRPNP-UHFFFAOYSA-N -1 3 339.340 2.334 20 30 EEEDHM N#Cc1ccc(SCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])nc1 ZINC001581874471 1344684308 /nfs/dbraw/zinc/68/43/08/1344684308.db2.gz SWKTVFQYFGRPNP-UHFFFAOYSA-N -1 3 339.340 2.334 20 30 EEEDHM C#C[C@](C)(CC)NC(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001588324974 1348886563 /nfs/dbraw/zinc/88/65/63/1348886563.db2.gz BTJINOAUDGDGHK-QGZVFWFLSA-N -1 3 336.355 2.053 20 30 EEEDHM C#C[C@](C)(CC)NC(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001588324974 1348886566 /nfs/dbraw/zinc/88/65/66/1348886566.db2.gz BTJINOAUDGDGHK-QGZVFWFLSA-N -1 3 336.355 2.053 20 30 EEEDHM C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588333950 1348891532 /nfs/dbraw/zinc/89/15/32/1348891532.db2.gz JKJSYSQBUGMLSC-OAHLLOKOSA-N -1 3 349.369 2.370 20 30 EEEDHM C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588333950 1348891537 /nfs/dbraw/zinc/89/15/37/1348891537.db2.gz JKJSYSQBUGMLSC-OAHLLOKOSA-N -1 3 349.369 2.370 20 30 EEEDHM C#CC[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Br)C1 ZINC001588337104 1348892689 /nfs/dbraw/zinc/89/26/89/1348892689.db2.gz IZXLKYBUVJJGNA-JTQLQIEISA-N -1 3 347.220 2.264 20 30 EEEDHM C#CC[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Br)C1 ZINC001588337104 1348892693 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c1cc(N=NCC2([C@@H]3CCCCO3)CCC2)ncc1-c1nn[n-]n1 ZINC001588381617 1348899682 /nfs/dbraw/zinc/89/96/82/1348899682.db2.gz LHMNPHDHVXGSFR-ZDUSSCGKSA-N -1 3 327.392 2.399 20 30 EEEDHM C=C(C)CCC(=O)NCC1(Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001588417786 1348902942 /nfs/dbraw/zinc/90/29/42/1348902942.db2.gz GJZLYKPIMZPFOU-UHFFFAOYSA-N -1 3 347.448 2.049 20 30 EEEDHM C=C(C)CCC(=O)NC[C@@H](CC)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588416020 1348903569 /nfs/dbraw/zinc/90/35/69/1348903569.db2.gz RJCHBCCCMVQISD-LLVKDONJSA-N -1 3 349.464 2.295 20 30 EEEDHM C=C(C)CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001588430088 1348903783 /nfs/dbraw/zinc/90/37/83/1348903783.db2.gz LSYJLUIFVQLQSL-UHFFFAOYSA-N -1 3 336.355 2.360 20 30 EEEDHM C=C(C)CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001588430088 1348903785 /nfs/dbraw/zinc/90/37/85/1348903785.db2.gz LSYJLUIFVQLQSL-UHFFFAOYSA-N -1 3 336.355 2.360 20 30 EEEDHM C=CC(C)(C)CC(=O)NCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588483397 1348908103 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CC(C)(C(=O)NCC1(CC#N)CC1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589046919 1348955060 /nfs/dbraw/zinc/95/50/60/1348955060.db2.gz LLKNUBIXSIHSMP-UHFFFAOYSA-N -1 3 342.378 2.093 20 30 EEEDHM CC(C)(C(=O)NCC1(CC#N)CC1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589046919 1348955063 /nfs/dbraw/zinc/95/50/63/1348955063.db2.gz LLKNUBIXSIHSMP-UHFFFAOYSA-N -1 3 342.378 2.093 20 30 EEEDHM CC(C)C(C)(C)CNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589425636 1348989582 /nfs/dbraw/zinc/98/95/82/1348989582.db2.gz YNDWXEFCQKFRPJ-OAHLLOKOSA-N -1 3 340.431 2.347 20 30 EEEDHM C[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589959587 1349080620 /nfs/dbraw/zinc/08/06/20/1349080620.db2.gz ZPCYXPSMTWBDTC-ABAIWWIYSA-N -1 3 346.394 2.262 20 30 EEEDHM CCC[C@H](C#N)NC(=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001590538939 1349366711 /nfs/dbraw/zinc/36/67/11/1349366711.db2.gz STKIGQAYKSYZAW-SECBINFHSA-N -1 3 349.192 2.051 20 30 EEEDHM CCC[C@H](C#N)NC(=O)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001590538939 1349366715 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C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001609051036 1351823850 /nfs/dbraw/zinc/82/38/50/1351823850.db2.gz MKNSJGBVAURSJK-IINYFYTJSA-N -1 3 346.366 2.109 20 30 EEEDHM C=CCC1(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)CCOCC1 ZINC001609053069 1351824398 /nfs/dbraw/zinc/82/43/98/1351824398.db2.gz AVNRFIIYZFPHQJ-UHFFFAOYSA-N -1 3 346.362 2.422 20 30 EEEDHM C=CCC1(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)CCOCC1 ZINC001609053069 1351824402 /nfs/dbraw/zinc/82/44/02/1351824402.db2.gz AVNRFIIYZFPHQJ-UHFFFAOYSA-N -1 3 346.362 2.422 20 30 EEEDHM C=C[C@](C)(CC)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001609052363 1351824586 /nfs/dbraw/zinc/82/45/86/1351824586.db2.gz ZCIIWZBSVADMMU-APPDUMDISA-N -1 3 343.387 2.339 20 30 EEEDHM C=C[C@](C)(CC)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001609052363 1351824590 /nfs/dbraw/zinc/82/45/90/1351824590.db2.gz ZCIIWZBSVADMMU-APPDUMDISA-N -1 3 343.387 2.339 20 30 EEEDHM C=CCN(Cc1ccccc1)C(=O)COc1ccccc1-c1nnn[n-]1 ZINC001609057204 1351826641 /nfs/dbraw/zinc/82/66/41/1351826641.db2.gz DHAGRKWJYUADQI-UHFFFAOYSA-N -1 3 349.394 2.460 20 30 EEEDHM C=CCN(Cc1ccccc1)C(=O)COc1ccccc1-c1nn[n-]n1 ZINC001609057204 1351826644 /nfs/dbraw/zinc/82/66/44/1351826644.db2.gz DHAGRKWJYUADQI-UHFFFAOYSA-N -1 3 349.394 2.460 20 30 EEEDHM COc1cccc2cc(C[N-]S(=O)(=O)c3ccc(C#N)o3)oc21 ZINC001322618795 1333295058 /nfs/dbraw/zinc/29/50/58/1333295058.db2.gz HOTFMDQEVLTFLT-UHFFFAOYSA-N -1 3 332.337 2.385 20 30 EEEDHM CC1(C)OCC[C@H]1NN=C1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609147609 1351861901 /nfs/dbraw/zinc/86/19/01/1351861901.db2.gz DZYYAVOPOTUKAB-MRXNPFEDSA-N -1 3 340.431 2.454 20 30 EEEDHM CC1(C)OCC[C@H]1NN=C1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609147609 1351861903 /nfs/dbraw/zinc/86/19/03/1351861903.db2.gz DZYYAVOPOTUKAB-MRXNPFEDSA-N -1 3 340.431 2.454 20 30 EEEDHM CCc1ccc([C@H](C#N)NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001609252250 1351909859 /nfs/dbraw/zinc/90/98/59/1351909859.db2.gz OGMHTBSKDUAXJL-INIZCTEOSA-N -1 3 332.367 2.424 20 30 EEEDHM CCc1ccc([C@H](C#N)NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001609252250 1351909862 /nfs/dbraw/zinc/90/98/62/1351909862.db2.gz OGMHTBSKDUAXJL-INIZCTEOSA-N -1 3 332.367 2.424 20 30 EEEDHM Cc1c2cc(-c3nnn[n-]3)ccc2sc1C(=O)NCC1(C#N)CC1 ZINC001609381749 1351952824 /nfs/dbraw/zinc/95/28/24/1351952824.db2.gz VZBMTWYFTZCJDB-UHFFFAOYSA-N -1 3 338.396 2.423 20 30 EEEDHM Cc1c2cc(-c3nn[n-]n3)ccc2sc1C(=O)NCC1(C#N)CC1 ZINC001609381749 1351952825 /nfs/dbraw/zinc/95/28/25/1351952825.db2.gz VZBMTWYFTZCJDB-UHFFFAOYSA-N -1 3 338.396 2.423 20 30 EEEDHM Cc1cnn(C)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001609441854 1351979023 /nfs/dbraw/zinc/97/90/23/1351979023.db2.gz SQEHNFGSIIFOOW-AATRIKPKSA-N -1 3 328.763 2.458 20 30 EEEDHM Cc1cnn(C)c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001609441854 1351979025 /nfs/dbraw/zinc/97/90/25/1351979025.db2.gz SQEHNFGSIIFOOW-AATRIKPKSA-N -1 3 328.763 2.458 20 30 EEEDHM N#C[C@@]1(C(=O)N2CCc3cc(-c4nnn[n-]4)ccc32)CC12CCCC2 ZINC001609493408 1351998332 /nfs/dbraw/zinc/99/83/32/1351998332.db2.gz IAUVILLTRQTZOO-GOSISDBHSA-N -1 3 334.383 2.230 20 30 EEEDHM N#C[C@@]1(C(=O)N2CCc3cc(-c4nn[n-]n4)ccc32)CC12CCCC2 ZINC001609493408 1351998334 /nfs/dbraw/zinc/99/83/34/1351998334.db2.gz IAUVILLTRQTZOO-GOSISDBHSA-N -1 3 334.383 2.230 20 30 EEEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001342129591 1337309994 /nfs/dbraw/zinc/30/99/94/1337309994.db2.gz NPFYZAFNSXOLNB-BETUJISGSA-N -1 3 328.420 2.499 20 30 EEEDHM Cc1nc(C)c(CC(=O)O[C@H](C)CC#Cc2cccnc2)c(=O)[n-]1 ZINC001345045097 1337421695 /nfs/dbraw/zinc/42/16/95/1337421695.db2.gz JOQUAVXMEPCSOC-GFCCVEGCSA-N -1 3 325.368 2.110 20 30 EEEDHM N#CC1(C(=O)[O-])CCN(CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC001610618251 1352255027 /nfs/dbraw/zinc/25/50/27/1352255027.db2.gz WZSKGZLOTLYXHI-UHFFFAOYSA-N -1 3 335.791 2.359 20 30 EEEDHM COCc1csc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC001579839536 1344420947 /nfs/dbraw/zinc/42/09/47/1344420947.db2.gz UNDMVWQAVFLLAD-UHFFFAOYSA-N -1 3 340.368 2.199 20 30 EEEDHM COCc1csc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC001579839536 1344420950 /nfs/dbraw/zinc/42/09/50/1344420950.db2.gz UNDMVWQAVFLLAD-UHFFFAOYSA-N -1 3 340.368 2.199 20 30 EEEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N1CCc2cc(C#N)ccc21 ZINC001581135335 1344591173 /nfs/dbraw/zinc/59/11/73/1344591173.db2.gz WXAHATGZVCEUKY-UHFFFAOYSA-N -1 3 330.351 2.250 20 30 EEEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N1CCc2cc(C#N)ccc21 ZINC001581135335 1344591176 /nfs/dbraw/zinc/59/11/76/1344591176.db2.gz WXAHATGZVCEUKY-UHFFFAOYSA-N -1 3 330.351 2.250 20 30 EEEDHM N#Cc1cc(Cl)ncc1NC(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001581866581 1344682138 /nfs/dbraw/zinc/68/21/38/1344682138.db2.gz KMCXHKGVGFXLLQ-UHFFFAOYSA-N -1 3 343.709 2.178 20 30 EEEDHM N#Cc1cc(Cl)ncc1NC(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001581866581 1344682143 /nfs/dbraw/zinc/68/21/43/1344682143.db2.gz KMCXHKGVGFXLLQ-UHFFFAOYSA-N -1 3 343.709 2.178 20 30 EEEDHM N#Cc1cccc(NC(=O)N2Cc3cccc(-c4nnn[n-]4)c3C2)c1 ZINC001581875825 1344684170 /nfs/dbraw/zinc/68/41/70/1344684170.db2.gz RYTMKVQKYGUJTE-UHFFFAOYSA-N -1 3 331.339 2.286 20 30 EEEDHM N#Cc1cccc(NC(=O)N2Cc3cccc(-c4nn[n-]n4)c3C2)c1 ZINC001581875825 1344684175 /nfs/dbraw/zinc/68/41/75/1344684175.db2.gz RYTMKVQKYGUJTE-UHFFFAOYSA-N -1 3 331.339 2.286 20 30 EEEDHM C#C[C@H](CC)OC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001588328089 1348888322 /nfs/dbraw/zinc/88/83/22/1348888322.db2.gz ZAMPAMPYLRZRLZ-IUODEOHRSA-N -1 3 328.372 2.225 20 30 EEEDHM C#C[C@H](CC)OC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001588328089 1348888329 /nfs/dbraw/zinc/88/83/29/1348888329.db2.gz ZAMPAMPYLRZRLZ-IUODEOHRSA-N -1 3 328.372 2.225 20 30 EEEDHM C#CCN(C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC001588349148 1348893985 /nfs/dbraw/zinc/89/39/85/1348893985.db2.gz DVEKRWWGMBNBRK-UHFFFAOYSA-N -1 3 346.394 2.308 20 30 EEEDHM C#CCN(C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC001588349148 1348893989 /nfs/dbraw/zinc/89/39/89/1348893989.db2.gz DVEKRWWGMBNBRK-UHFFFAOYSA-N -1 3 346.394 2.308 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588401115 1348899886 /nfs/dbraw/zinc/89/98/86/1348899886.db2.gz LXHHTFZDCUSIHM-SMDDNHRTSA-N -1 3 347.806 2.231 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588401115 1348899890 /nfs/dbraw/zinc/89/98/90/1348899890.db2.gz LXHHTFZDCUSIHM-SMDDNHRTSA-N -1 3 347.806 2.231 20 30 EEEDHM C=C(C)CCC(=O)NCCCN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588417964 1348902635 /nfs/dbraw/zinc/90/26/35/1348902635.db2.gz MIUTTXKIUTWFOO-UHFFFAOYSA-N -1 3 346.410 2.305 20 30 EEEDHM C=C(C)CCC(=O)NCCCN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588417964 1348902639 /nfs/dbraw/zinc/90/26/39/1348902639.db2.gz MIUTTXKIUTWFOO-UHFFFAOYSA-N -1 3 346.410 2.305 20 30 EEEDHM C=C(C)CNC(=S)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001588429511 1348904097 /nfs/dbraw/zinc/90/40/97/1348904097.db2.gz CJYHMFTULUYNLO-UHFFFAOYSA-N -1 3 328.445 2.282 20 30 EEEDHM C=C(C)CNC(=S)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001588429511 1348904099 /nfs/dbraw/zinc/90/40/99/1348904099.db2.gz CJYHMFTULUYNLO-UHFFFAOYSA-N -1 3 328.445 2.282 20 30 EEEDHM C=C(C)COCCNc1nc2cc(Cl)ccn2c1-c1nnn[n-]1 ZINC001588428891 1348904358 /nfs/dbraw/zinc/90/43/58/1348904358.db2.gz HAWJOEWJYAPZSL-UHFFFAOYSA-N -1 3 333.783 2.172 20 30 EEEDHM C=C(C)COCCNc1nc2cc(Cl)ccn2c1-c1nn[n-]n1 ZINC001588428891 1348904360 /nfs/dbraw/zinc/90/43/60/1348904360.db2.gz HAWJOEWJYAPZSL-UHFFFAOYSA-N -1 3 333.783 2.172 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001588442893 1348905300 /nfs/dbraw/zinc/90/53/00/1348905300.db2.gz LQTZPOQPNHNKMJ-GWCFXTLKSA-N -1 3 333.779 2.440 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001588442893 1348905302 /nfs/dbraw/zinc/90/53/02/1348905302.db2.gz LQTZPOQPNHNKMJ-GWCFXTLKSA-N -1 3 333.779 2.440 20 30 EEEDHM C=C1CN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588462854 1348906954 /nfs/dbraw/zinc/90/69/54/1348906954.db2.gz ROEBXBYFJRBPFN-UHFFFAOYSA-N -1 3 337.339 2.051 20 30 EEEDHM C=C1CN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588462854 1348906957 /nfs/dbraw/zinc/90/69/57/1348906957.db2.gz ROEBXBYFJRBPFN-UHFFFAOYSA-N -1 3 337.339 2.051 20 30 EEEDHM C=CC(C)(C)CCNC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588486667 1348909083 /nfs/dbraw/zinc/90/90/83/1348909083.db2.gz HMMBBJQQZJBWNY-UHFFFAOYSA-N -1 3 326.404 2.494 20 30 EEEDHM C=CC(C)(C)CCNC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588486667 1348909085 /nfs/dbraw/zinc/90/90/85/1348909085.db2.gz HMMBBJQQZJBWNY-UHFFFAOYSA-N -1 3 326.404 2.494 20 30 EEEDHM C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588545227 1348914614 /nfs/dbraw/zinc/91/46/14/1348914614.db2.gz AVCAAPSVXNJQRZ-OAHLLOKOSA-N -1 3 348.410 2.487 20 30 EEEDHM C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588545227 1348914616 /nfs/dbraw/zinc/91/46/16/1348914616.db2.gz AVCAAPSVXNJQRZ-OAHLLOKOSA-N -1 3 348.410 2.487 20 30 EEEDHM C=CC[C@H](C)NC(=O)NCc1ccc(SC)c(-c2nnn[n-]2)c1 ZINC001588539525 1348914782 /nfs/dbraw/zinc/91/47/82/1348914782.db2.gz OQHPZWJZZZCSKJ-JTQLQIEISA-N -1 3 332.433 2.352 20 30 EEEDHM C=CC[C@H](C)NC(=O)NCc1ccc(SC)c(-c2nn[n-]n2)c1 ZINC001588539525 1348914785 /nfs/dbraw/zinc/91/47/85/1348914785.db2.gz OQHPZWJZZZCSKJ-JTQLQIEISA-N -1 3 332.433 2.352 20 30 EEEDHM C=CCC(C)(C)C(=O)N(C)CCCNc1ccc(-c2nnn[n-]2)nc1 ZINC001588532331 1348914904 /nfs/dbraw/zinc/91/49/04/1348914904.db2.gz SEKMZOQSIBSQFU-UHFFFAOYSA-N -1 3 343.435 2.124 20 30 EEEDHM C=CCC(C)(C)C(=O)N(C)CCCNc1ccc(-c2nn[n-]n2)nc1 ZINC001588532331 1348914908 /nfs/dbraw/zinc/91/49/08/1348914908.db2.gz SEKMZOQSIBSQFU-UHFFFAOYSA-N -1 3 343.435 2.124 20 30 EEEDHM C=CCC(C)(C)C(=O)NCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001588538286 1348915081 /nfs/dbraw/zinc/91/50/81/1348915081.db2.gz MLFYRCGQWLKEGQ-UHFFFAOYSA-N -1 3 349.826 2.046 20 30 EEEDHM C=CCC(C)(C)C(=O)NCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001588538286 1348915085 /nfs/dbraw/zinc/91/50/85/1348915085.db2.gz MLFYRCGQWLKEGQ-UHFFFAOYSA-N -1 3 349.826 2.046 20 30 EEEDHM C=CC[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)cc(N(C)C)c2)C1 ZINC001588560301 1348916694 /nfs/dbraw/zinc/91/66/94/1348916694.db2.gz PCESUKWZNPXKPM-CYBMUJFWSA-N -1 3 340.431 2.361 20 30 EEEDHM C=CC[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)cc(N(C)C)c2)C1 ZINC001588560301 1348916695 /nfs/dbraw/zinc/91/66/95/1348916695.db2.gz PCESUKWZNPXKPM-CYBMUJFWSA-N -1 3 340.431 2.361 20 30 EEEDHM C=CCC[C@@H](CO)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001588577961 1348919764 /nfs/dbraw/zinc/91/97/64/1348919764.db2.gz SIRFKDGPZHSXDE-ZDUSSCGKSA-N -1 3 342.403 2.193 20 30 EEEDHM C=CCC[C@@H](CO)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001588577961 1348919766 /nfs/dbraw/zinc/91/97/66/1348919766.db2.gz SIRFKDGPZHSXDE-ZDUSSCGKSA-N -1 3 342.403 2.193 20 30 EEEDHM C=CCCCCNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl ZINC001588596591 1348922967 /nfs/dbraw/zinc/92/29/67/1348922967.db2.gz VQOFTQVVZJQCLU-UHFFFAOYSA-N -1 3 341.824 2.155 20 30 EEEDHM C=CCCCCNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl ZINC001588596591 1348922975 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C=CCOCCCC(=O)NC(C)(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588682129 1348929288 /nfs/dbraw/zinc/92/92/88/1348929288.db2.gz WSHPEZNRWRDSLM-UHFFFAOYSA-N -1 3 343.431 2.287 20 30 EEEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(C)[C@@H](C)CC#N ZINC001588700949 1348930010 /nfs/dbraw/zinc/93/00/10/1348930010.db2.gz ZCXKTBWVNHBMMO-LBPRGKRZSA-N -1 3 349.402 2.050 20 30 EEEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(C)[C@@H](C)CC#N ZINC001588700949 1348930011 /nfs/dbraw/zinc/93/00/11/1348930011.db2.gz ZCXKTBWVNHBMMO-LBPRGKRZSA-N -1 3 349.402 2.050 20 30 EEEDHM CC#CCCNC(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588746402 1348931792 /nfs/dbraw/zinc/93/17/92/1348931792.db2.gz QVZWMWRWQVXTDL-UHFFFAOYSA-N -1 3 349.192 2.164 20 30 EEEDHM CC#CCCNC(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588746402 1348931796 /nfs/dbraw/zinc/93/17/96/1348931796.db2.gz QVZWMWRWQVXTDL-UHFFFAOYSA-N -1 3 349.192 2.164 20 30 EEEDHM CC(C)(C)[C@](C)(C#N)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001589085812 1348957972 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EEEDHM C=CCOCCN[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000823925303 946518332 /nfs/dbraw/zinc/51/83/32/946518332.db2.gz HLIMWXAPGKHCFL-LBPRGKRZSA-N -1 3 327.310 2.262 20 30 EEEDHM C=C[C@](C)(CC)C(=O)NC[C@@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001573306315 947169821 /nfs/dbraw/zinc/16/98/21/947169821.db2.gz KBCJLXFNHYNNBN-SJKOYZFVSA-N -1 3 343.435 2.089 20 30 EEEDHM C=C[C@](C)(CC)C(=O)NC[C@@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001573306315 947169824 /nfs/dbraw/zinc/16/98/24/947169824.db2.gz KBCJLXFNHYNNBN-SJKOYZFVSA-N -1 3 343.435 2.089 20 30 EEEDHM C=CCCCC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573334627 947458649 /nfs/dbraw/zinc/45/86/49/947458649.db2.gz GPDKTPLVMPROMM-GFCCVEGCSA-N -1 3 344.394 2.057 20 30 EEEDHM C=CCCCC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573334627 947458654 /nfs/dbraw/zinc/45/86/54/947458654.db2.gz GPDKTPLVMPROMM-GFCCVEGCSA-N -1 3 344.394 2.057 20 30 EEEDHM C=CCCCC(=O)N[C@H](C)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573334784 947465214 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COc1cc(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)ccc1C#N ZINC001570934542 948942853 /nfs/dbraw/zinc/94/28/53/948942853.db2.gz FRVHXLJUHUHNQJ-UHFFFAOYSA-N -1 3 338.302 2.138 20 30 EEEDHM COc1cc(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)ccc1C#N ZINC001570934542 948942869 /nfs/dbraw/zinc/94/28/69/948942869.db2.gz FRVHXLJUHUHNQJ-UHFFFAOYSA-N -1 3 338.302 2.138 20 30 EEEDHM Cc1cc(NC(=O)Cc2cccc(OCC#N)c2)cc(-c2nnn[n-]2)c1 ZINC001570948907 949627844 /nfs/dbraw/zinc/62/78/44/949627844.db2.gz KXRUVJGYYYQXCR-UHFFFAOYSA-N -1 3 348.366 2.259 20 30 EEEDHM Cc1cc(NC(=O)Cc2cccc(OCC#N)c2)cc(-c2nn[n-]n2)c1 ZINC001570948907 949627856 /nfs/dbraw/zinc/62/78/56/949627856.db2.gz KXRUVJGYYYQXCR-UHFFFAOYSA-N -1 3 348.366 2.259 20 30 EEEDHM C[C@@H](C(=O)[O-])C(=O)OCC1(C#N)CCN(Cc2ccccc2)CC1 ZINC001588580777 959260224 /nfs/dbraw/zinc/26/02/24/959260224.db2.gz WINGVBMYVFEQEA-AWEZNQCLSA-N -1 3 330.384 2.056 20 30 EEEDHM C#CCN(C)CCCNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001573302675 962659726 /nfs/dbraw/zinc/65/97/26/962659726.db2.gz YYCLIQXQARZKND-UHFFFAOYSA-N -1 3 340.383 2.010 20 30 EEEDHM C=CCOc1ccc(CN2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)cc1 ZINC000901524740 980348277 /nfs/dbraw/zinc/34/82/77/980348277.db2.gz NCVQXKSZDSJRKN-HNNXBMFYSA-N -1 3 342.399 2.378 20 30 EEEDHM CN(C(=O)CN1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21)C1(C#N)CCCCC1 ZINC001598023423 990221843 /nfs/dbraw/zinc/22/18/43/990221843.db2.gz NQTIDHYSFJKMQJ-PMPSAXMXSA-N -1 3 347.459 2.246 20 30 EEEDHM C[C@H](CNCc1ccc(C#N)cc1F)N(C)C(=O)c1ncccc1[O-] ZINC001496037189 1101963563 /nfs/dbraw/zinc/96/35/63/1101963563.db2.gz BDXITFGXYIORMV-GFCCVEGCSA-N -1 3 342.374 2.048 20 30 EEEDHM CC(C)(C)OC(=O)c1cc(NC(=O)CNc2ccc(C#N)cc2)[n-]n1 ZINC001469324625 1110488988 /nfs/dbraw/zinc/48/89/88/1110488988.db2.gz XRCHPJKQEVRHOR-UHFFFAOYSA-N -1 3 341.371 2.287 20 30 EEEDHM CC(C)(C)OC(=O)c1cc(NC(=O)CNc2ccc(C#N)cc2)n[n-]1 ZINC001469324625 1110488989 /nfs/dbraw/zinc/48/89/89/1110488989.db2.gz XRCHPJKQEVRHOR-UHFFFAOYSA-N -1 3 341.371 2.287 20 30 EEEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1C[C@@H](C)O[C@H](CC)C1 ZINC001515689908 1118982200 /nfs/dbraw/zinc/98/22/00/1118982200.db2.gz DLUMLLVZEZEPMH-VXGBXAGGSA-N -1 3 333.392 2.219 20 30 EEEDHM Cc1sc(C([O-])=C(C#N)c2ccccn2)cc1CS(C)(=O)=O ZINC000350626447 238202779 /nfs/dbraw/zinc/20/27/79/238202779.db2.gz PVTULWDKKDUNMA-GFCCVEGCSA-N -1 3 334.422 2.486 20 30 EEEDHM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cccnc2C#N)c(C)c1 ZINC000428262379 241556134 /nfs/dbraw/zinc/55/61/34/241556134.db2.gz SWTZQPROTZMIRP-AWEZNQCLSA-N -1 3 329.425 2.480 20 30 EEEDHM N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000471639490 245383565 /nfs/dbraw/zinc/38/35/65/245383565.db2.gz PAJIRLRHYRVUGR-OAHLLOKOSA-N -1 3 343.350 2.059 20 30 EEEDHM N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000471639490 245383570 /nfs/dbraw/zinc/38/35/70/245383570.db2.gz PAJIRLRHYRVUGR-OAHLLOKOSA-N -1 3 343.350 2.059 20 30 EEEDHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000268152811 256119537 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CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C12CCC2 ZINC000610266562 469997395 /nfs/dbraw/zinc/99/73/95/469997395.db2.gz AYBRXAIAVJVJCR-LSDHHAIUSA-N -1 3 338.404 2.323 20 30 EEEDHM C=C(C)CCc1noc(CC[N-]S(=O)(=O)c2ccccc2F)n1 ZINC000349770417 526467690 /nfs/dbraw/zinc/46/76/90/526467690.db2.gz DZVIQUQKHHHVBA-UHFFFAOYSA-N -1 3 339.392 2.238 20 30 EEEDHM C=CCCC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000102323495 527079229 /nfs/dbraw/zinc/07/92/29/527079229.db2.gz ULOWCVUVVYOVDX-UHFFFAOYSA-N -1 3 336.335 2.432 20 30 EEEDHM O=C1c2cccc(O)c2CC1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000738289614 578008067 /nfs/dbraw/zinc/00/80/67/578008067.db2.gz JWRQKRMMGSJBJX-WDZFZDKYSA-N -1 3 344.334 2.042 20 30 EEEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1cccnc1Cl ZINC000737706339 576477796 /nfs/dbraw/zinc/47/77/96/576477796.db2.gz XBMFYGSYXPWOCM-UHFFFAOYSA-N -1 3 344.791 2.056 20 30 EEEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1cccnc1Cl ZINC000737706339 576477798 /nfs/dbraw/zinc/47/77/98/576477798.db2.gz XBMFYGSYXPWOCM-UHFFFAOYSA-N -1 3 344.791 2.056 20 30 EEEDHM C#Cc1cccc(N(C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000728536688 576505536 /nfs/dbraw/zinc/50/55/36/576505536.db2.gz XQXZMQBLBNLNMS-UHFFFAOYSA-N -1 3 328.393 2.316 20 30 EEEDHM C=CCN(C(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)C(C)C ZINC000728869067 576553976 /nfs/dbraw/zinc/55/39/76/576553976.db2.gz VIIRAFJLZARGBR-UHFFFAOYSA-N -1 3 346.399 2.056 20 30 EEEDHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2C#N)CCO1 ZINC000771809129 577231628 /nfs/dbraw/zinc/23/16/28/577231628.db2.gz ZQWQGIWNITTZEY-RISCZKNCSA-N -1 3 326.393 2.179 20 30 EEEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(C(C)C)n2)cc1 ZINC000733679081 577253165 /nfs/dbraw/zinc/25/31/65/577253165.db2.gz BQEWSJOUYMKSOS-AWEZNQCLSA-N -1 3 326.356 2.434 20 30 EEEDHM COc1c([O-])c(C=NNc2ccc([N+](=O)[O-])cn2)ccc1[N+](=O)[O-] ZINC000773053039 577312631 /nfs/dbraw/zinc/31/26/31/577312631.db2.gz CJKLWCMPBMMXCM-UHFFFAOYSA-N -1 3 333.260 2.058 20 30 EEEDHM COc1c([O-])c(CN=Nc2ccc([N+](=O)[O-])cn2)ccc1[N+](=O)[O-] ZINC000773053039 577312632 /nfs/dbraw/zinc/31/26/32/577312632.db2.gz CJKLWCMPBMMXCM-UHFFFAOYSA-N -1 3 333.260 2.058 20 30 EEEDHM C=C(CC)COC(=O)CCC/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000773430521 577341901 /nfs/dbraw/zinc/34/19/01/577341901.db2.gz RXPPUCRMRWCEBP-UHFFFAOYSA-N -1 3 336.413 2.015 20 30 EEEDHM CCOc1cc(C=NNCC(C)(C)S(C)(=O)=O)cc(Cl)c1[O-] ZINC000774481972 577400657 /nfs/dbraw/zinc/40/06/57/577400657.db2.gz JOAVZCBULJMXPC-UHFFFAOYSA-N -1 3 348.852 2.191 20 30 EEEDHM CCOCCON=C([O-])Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000775722650 577443879 /nfs/dbraw/zinc/44/38/79/577443879.db2.gz SRSTYQVLHGRZJP-UHFFFAOYSA-N -1 3 349.778 2.487 20 30 EEEDHM CCOCCO[N-]C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000775722650 577443880 /nfs/dbraw/zinc/44/38/80/577443880.db2.gz SRSTYQVLHGRZJP-UHFFFAOYSA-N -1 3 349.778 2.487 20 30 EEEDHM Cn1cc(C=N[N-]S(=O)(=O)Cc2ccccc2)c(C(C)(C)C)n1 ZINC000769570762 577580771 /nfs/dbraw/zinc/58/07/71/577580771.db2.gz RYRMJIWNQHXXSR-UHFFFAOYSA-N -1 3 334.445 2.171 20 30 EEEDHM COc1cc(C=NNC(=S)NCCSC)cc(Cl)c1[O-] ZINC000769591780 577580992 /nfs/dbraw/zinc/58/09/92/577580992.db2.gz BUTIEWZVOLSWJV-UHFFFAOYSA-N -1 3 333.866 2.215 20 30 EEEDHM COc1cc(Cl)cc(C=NNC(=S)NC[C@H]2CCCO2)c1[O-] ZINC000758887366 577632987 /nfs/dbraw/zinc/63/29/87/577632987.db2.gz RDCKEZZVIALUMU-LLVKDONJSA-N -1 3 343.836 2.031 20 30 EEEDHM Cc1[n-]ncc1S(=O)(=O)Oc1ccc(Br)cc1C#N ZINC000759272746 577640289 /nfs/dbraw/zinc/64/02/89/577640289.db2.gz RROZPKDXEXKFPG-UHFFFAOYSA-N -1 3 342.174 2.120 20 30 EEEDHM CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2cccc(C#N)c2)c1C ZINC000762961975 577711946 /nfs/dbraw/zinc/71/19/46/577711946.db2.gz FIDDDKUIXMQVRB-UHFFFAOYSA-N -1 3 348.380 2.448 20 30 EEEDHM C[C@H](C[N-]S(=O)(=O)c1cccc(F)c1C#N)N1CCC[C@H](C)C1 ZINC000751005851 577746752 /nfs/dbraw/zinc/74/67/52/577746752.db2.gz YXDGDJWGCJGXNP-QWHCGFSZSA-N -1 3 339.436 2.096 20 30 EEEDHM C[C@@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000751403316 577751852 /nfs/dbraw/zinc/75/18/52/577751852.db2.gz IPPMKZLQLNPARR-BLLLJJGKSA-N -1 3 348.399 2.140 20 30 EEEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cccc(OC)n1 ZINC000752161033 577766820 /nfs/dbraw/zinc/76/68/20/577766820.db2.gz ORGBDGBUWZLUSM-GFCCVEGCSA-N -1 3 339.351 2.450 20 30 EEEDHM C#CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OCC)o1)c1ccccc1 ZINC000756980286 577854301 /nfs/dbraw/zinc/85/43/01/577854301.db2.gz LNEQUZRYFGHLBM-AWEZNQCLSA-N -1 3 347.392 2.499 20 30 EEEDHM Cc1ccc([O-])c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 ZINC000757591285 577860804 /nfs/dbraw/zinc/86/08/04/577860804.db2.gz KTDUIXYKPFTNJW-OCCSQVGLSA-N -1 3 345.399 2.190 20 30 EEEDHM O=c1nc(C=N[O-])ccn1CCOc1cc(Cl)cc(Cl)c1 ZINC000742358199 577871685 /nfs/dbraw/zinc/87/16/85/577871685.db2.gz CPFOJFRRZSEEON-UHFFFAOYSA-N -1 3 328.155 2.437 20 30 EEEDHM COc1ccc(C=NN2C(=S)N=NC2[C@@H]2CCCCO2)c([O-])c1 ZINC000743452340 577885576 /nfs/dbraw/zinc/88/55/76/577885576.db2.gz OLXKODGNKYGNKJ-ZDUSSCGKSA-N -1 3 334.401 2.405 20 30 EEEDHM Cc1nc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c2ccccn12 ZINC000744040081 577892480 /nfs/dbraw/zinc/89/24/80/577892480.db2.gz YDGIXJRSAFKTCU-ZDUSSCGKSA-N -1 3 334.383 2.451 20 30 EEEDHM Cc1nc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c2ccccn12 ZINC000744040078 577892485 /nfs/dbraw/zinc/89/24/85/577892485.db2.gz YDGIXJRSAFKTCU-CYBMUJFWSA-N -1 3 334.383 2.451 20 30 EEEDHM C=CC[C@@H](C)NC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000735409787 578150247 /nfs/dbraw/zinc/15/02/47/578150247.db2.gz LDQIZPZHXQIIDO-IUODEOHRSA-N -1 3 329.404 2.351 20 30 EEEDHM C=CC[C@@H](C)NC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000735409787 578150249 /nfs/dbraw/zinc/15/02/49/578150249.db2.gz LDQIZPZHXQIIDO-IUODEOHRSA-N -1 3 329.404 2.351 20 30 EEEDHM C=CC1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735402417 578152255 /nfs/dbraw/zinc/15/22/55/578152255.db2.gz APFDYOMSQPVPLL-UHFFFAOYSA-N -1 3 329.429 2.383 20 30 EEEDHM C=CC1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735402417 578152256 /nfs/dbraw/zinc/15/22/56/578152256.db2.gz APFDYOMSQPVPLL-UHFFFAOYSA-N -1 3 329.429 2.383 20 30 EEEDHM CC(Cn1nc(C)cc1C)=NOCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736097554 578181004 /nfs/dbraw/zinc/18/10/04/578181004.db2.gz PPEWHYPIOVKWPQ-UHFFFAOYSA-N -1 3 343.366 2.412 20 30 EEEDHM CC(Cn1nc(C)cc1C)=NOCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736097554 578181005 /nfs/dbraw/zinc/18/10/05/578181005.db2.gz PPEWHYPIOVKWPQ-UHFFFAOYSA-N -1 3 343.366 2.412 20 30 EEEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000737214019 578243944 /nfs/dbraw/zinc/24/39/44/578243944.db2.gz BUMCCZAZIVYTEB-UHFFFAOYSA-N -1 3 349.310 2.207 20 30 EEEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000737214019 578243945 /nfs/dbraw/zinc/24/39/45/578243945.db2.gz BUMCCZAZIVYTEB-UHFFFAOYSA-N -1 3 349.310 2.207 20 30 EEEDHM Cc1ccc(C)c(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000737326962 578250595 /nfs/dbraw/zinc/25/05/95/578250595.db2.gz VQLDHOTWWGZGTA-UHFFFAOYSA-N -1 3 348.366 2.373 20 30 EEEDHM Cc1ccc(C)c(OCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000737326962 578250596 /nfs/dbraw/zinc/25/05/96/578250596.db2.gz VQLDHOTWWGZGTA-UHFFFAOYSA-N -1 3 348.366 2.373 20 30 EEEDHM Cc1ccc(C)c(OCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000737326884 578250662 /nfs/dbraw/zinc/25/06/62/578250662.db2.gz SQBRPXDQOFXDCU-UHFFFAOYSA-N -1 3 348.366 2.373 20 30 EEEDHM Cc1ccc(C)c(OCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000737326884 578250663 /nfs/dbraw/zinc/25/06/63/578250663.db2.gz SQBRPXDQOFXDCU-UHFFFAOYSA-N -1 3 348.366 2.373 20 30 EEEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1c[nH]c(-c2ccccc2)n1 ZINC000819718803 607252569 /nfs/dbraw/zinc/25/25/69/607252569.db2.gz QVNHDWLYHKXNQV-UHFFFAOYSA-N -1 3 344.382 2.381 20 30 EEEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c(-c2ccccc2)n1 ZINC000819718803 607252570 /nfs/dbraw/zinc/25/25/70/607252570.db2.gz QVNHDWLYHKXNQV-UHFFFAOYSA-N -1 3 344.382 2.381 20 30 EEEDHM CN(C(=O)c1ncc(C#N)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000821574730 607263904 /nfs/dbraw/zinc/26/39/04/607263904.db2.gz UQSMCMNSQOPKNU-UHFFFAOYSA-N -1 3 339.746 2.063 20 30 EEEDHM CN(C(=O)c1ncc(C#N)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000821574730 607263905 /nfs/dbraw/zinc/26/39/05/607263905.db2.gz UQSMCMNSQOPKNU-UHFFFAOYSA-N -1 3 339.746 2.063 20 30 EEEDHM C[C@H](NC(=O)CNc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820329722 599514316 /nfs/dbraw/zinc/51/43/16/599514316.db2.gz ZAEDLRULJYYXKA-LBPRGKRZSA-N -1 3 347.382 2.028 20 30 EEEDHM C[C@H](NC(=O)CNc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820329722 599514318 /nfs/dbraw/zinc/51/43/18/599514318.db2.gz ZAEDLRULJYYXKA-LBPRGKRZSA-N -1 3 347.382 2.028 20 30 EEEDHM N#Cc1cccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826386632 607419698 /nfs/dbraw/zinc/41/96/98/607419698.db2.gz MMHHJQVOHDHLSI-UHFFFAOYSA-N -1 3 330.351 2.157 20 30 EEEDHM N#Cc1cccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826386632 607419699 /nfs/dbraw/zinc/41/96/99/607419699.db2.gz MMHHJQVOHDHLSI-UHFFFAOYSA-N -1 3 330.351 2.157 20 30 EEEDHM N#Cc1cccc([C@@H](C(=O)[O-])N2CCC(Nc3cccnn3)CC2)c1 ZINC000833074234 601316071 /nfs/dbraw/zinc/31/60/71/601316071.db2.gz SFSIHCZPKDDFTA-KRWDZBQOSA-N -1 3 337.383 2.050 20 30 EEEDHM N#Cc1cnc2ccccc2c1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822842346 606221979 /nfs/dbraw/zinc/22/19/79/606221979.db2.gz DCAFHFHETDUADS-UHFFFAOYSA-N -1 3 327.351 2.321 20 30 EEEDHM N#Cc1cnc2ccccc2c1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822842346 606221980 /nfs/dbraw/zinc/22/19/80/606221980.db2.gz DCAFHFHETDUADS-UHFFFAOYSA-N -1 3 327.351 2.321 20 30 EEEDHM C[C@@H](OC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000820497949 606340710 /nfs/dbraw/zinc/34/07/10/606340710.db2.gz XERBOPDCXBNJJT-GFCCVEGCSA-N -1 3 349.350 2.422 20 30 EEEDHM CN(C(=O)c1cc(C#N)cs1)c1ccc(-c2nnn[n-]2)cc1F ZINC000821573414 606501930 /nfs/dbraw/zinc/50/19/30/606501930.db2.gz PDWBXOUEQAOIFD-UHFFFAOYSA-N -1 3 328.332 2.216 20 30 EEEDHM CN(C(=O)c1cc(C#N)cs1)c1ccc(-c2nn[n-]n2)cc1F ZINC000821573414 606501931 /nfs/dbraw/zinc/50/19/31/606501931.db2.gz PDWBXOUEQAOIFD-UHFFFAOYSA-N -1 3 328.332 2.216 20 30 EEEDHM 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C=CCOCCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588683258 1348928863 /nfs/dbraw/zinc/92/88/63/1348928863.db2.gz ZYHSBBXUTSABCS-UHFFFAOYSA-N -1 3 336.783 2.234 20 30 EEEDHM CC(N=Nc1nccnc1C1CCC1)c1cc(-c2nnn[n-]2)ccn1 ZINC001588781270 1348935547 /nfs/dbraw/zinc/93/55/47/1348935547.db2.gz QLIYWKACSRMQJT-UHFFFAOYSA-N -1 3 335.375 2.155 20 30 EEEDHM CC(N=Nc1nccnc1C1CCC1)c1cc(-c2nn[n-]n2)ccn1 ZINC001588781270 1348935551 /nfs/dbraw/zinc/93/55/51/1348935551.db2.gz QLIYWKACSRMQJT-UHFFFAOYSA-N -1 3 335.375 2.155 20 30 EEEDHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)Cc1ccc(C#N)cc1 ZINC001588893216 1348942177 /nfs/dbraw/zinc/94/21/77/1348942177.db2.gz CDEQKQIYTIKCAV-UHFFFAOYSA-N -1 3 346.350 2.122 20 30 EEEDHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)Cc1ccc(C#N)cc1 ZINC001588893216 1348942180 /nfs/dbraw/zinc/94/21/80/1348942180.db2.gz CDEQKQIYTIKCAV-UHFFFAOYSA-N -1 3 346.350 2.122 20 30 EEEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC001590023110 1349113155 /nfs/dbraw/zinc/11/31/55/1349113155.db2.gz 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EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H](CCO)Cc1ccccc1 ZINC001606379807 1351299313 /nfs/dbraw/zinc/29/93/13/1351299313.db2.gz MSLJMIPJBKRHGM-HNNXBMFYSA-N -1 3 334.383 2.144 20 30 EEEDHM N#Cc1cccc2[nH]cc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)c21 ZINC001606385153 1351299749 /nfs/dbraw/zinc/29/97/49/1351299749.db2.gz RJDBXJINGSSNKB-UHFFFAOYSA-N -1 3 343.350 2.150 20 30 EEEDHM N#Cc1cccc2[nH]cc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)c21 ZINC001606385153 1351299750 /nfs/dbraw/zinc/29/97/50/1351299750.db2.gz RJDBXJINGSSNKB-UHFFFAOYSA-N -1 3 343.350 2.150 20 30 EEEDHM N#Cc1ccc2[nH]c(NC(=O)c3nnc4ccccc4c3[O-])nc2c1 ZINC001648094602 1353415663 /nfs/dbraw/zinc/41/56/63/1353415663.db2.gz PIPPOWOXGXJOKN-UHFFFAOYSA-N -1 3 330.307 2.336 20 30 EEEDHM CCCCc1ccc(C(=O)CCC(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000848139376 1373086920 /nfs/dbraw/zinc/08/69/20/1373086920.db2.gz UZVNTHUNHQICJK-MRXNPFEDSA-N -1 3 346.427 2.489 20 30 EEEDHM C[C@H](CN(C)Cc1ccc(F)c(C#N)c1)NC(=O)c1ncccc1[O-] ZINC001401743357 1397542360 /nfs/dbraw/zinc/54/23/60/1397542360.db2.gz GZPAHWLPHZTHLQ-GFCCVEGCSA-N -1 3 342.374 2.048 20 30 EEEDHM CC(C)Nc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cn1 ZINC001574296545 1403519512 /nfs/dbraw/zinc/51/95/12/1403519512.db2.gz HQHQSIJEESLKKO-UHFFFAOYSA-N -1 3 348.370 2.206 20 30 EEEDHM CC(C)Nc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cn1 ZINC001574296545 1403519517 /nfs/dbraw/zinc/51/95/17/1403519517.db2.gz HQHQSIJEESLKKO-UHFFFAOYSA-N -1 3 348.370 2.206 20 30 EEEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(C#N)ccn1 ZINC001574281788 1403519810 /nfs/dbraw/zinc/51/98/10/1403519810.db2.gz YXIRQKPHSUOMQI-UHFFFAOYSA-N -1 3 347.382 2.184 20 30 EEEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(C#N)ccn1 ZINC001574281788 1403519812 /nfs/dbraw/zinc/51/98/12/1403519812.db2.gz YXIRQKPHSUOMQI-UHFFFAOYSA-N -1 3 347.382 2.184 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(F)c(C#N)c1 ZINC001591483184 1403919444 /nfs/dbraw/zinc/91/94/44/1403919444.db2.gz BRBZVQLRHXZLDO-UHFFFAOYSA-N -1 3 338.302 2.138 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(F)c(C#N)c1 ZINC001591483184 1403919450 /nfs/dbraw/zinc/91/94/50/1403919450.db2.gz BRBZVQLRHXZLDO-UHFFFAOYSA-N -1 3 338.302 2.138 20 30 EEEDHM N#CCCCCCC(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC001592675535 1404712798 /nfs/dbraw/zinc/71/27/98/1404712798.db2.gz WKTGHUBXJHDFIN-UHFFFAOYSA-N -1 3 329.360 2.263 20 30 EEEDHM N#CCCCCCC(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC001592675535 1404712802 /nfs/dbraw/zinc/71/28/02/1404712802.db2.gz WKTGHUBXJHDFIN-UHFFFAOYSA-N -1 3 329.360 2.263 20 30 EEEDHM N#CCOc1cccc(OC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC001592679978 1404714450 /nfs/dbraw/zinc/71/44/50/1404714450.db2.gz BMSUFIMNLOESMW-UHFFFAOYSA-N -1 3 339.286 2.127 20 30 EEEDHM N#CCOc1cccc(OC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC001592679978 1404714454 /nfs/dbraw/zinc/71/44/54/1404714454.db2.gz BMSUFIMNLOESMW-UHFFFAOYSA-N -1 3 339.286 2.127 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC001592698652 1404715525 /nfs/dbraw/zinc/71/55/25/1404715525.db2.gz GQSLNNXZJDFVGA-GFCCVEGCSA-N -1 3 340.778 2.040 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC001592698652 1404715529 /nfs/dbraw/zinc/71/55/29/1404715529.db2.gz GQSLNNXZJDFVGA-GFCCVEGCSA-N -1 3 340.778 2.040 20 30 EEEDHM N#Cc1cccc(ONC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC001592700442 1404717811 /nfs/dbraw/zinc/71/78/11/1404717811.db2.gz VEIAEPYYWPDRTE-UHFFFAOYSA-N -1 3 340.730 2.116 20 30 EEEDHM N#Cc1cccc(ONC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC001592700442 1404717821 /nfs/dbraw/zinc/71/78/21/1404717821.db2.gz VEIAEPYYWPDRTE-UHFFFAOYSA-N -1 3 340.730 2.116 20 30 EEEDHM N#C[C@]1(C(=O)OCc2cc(-c3nnn[n-]3)ccn2)CC2CCC1CC2 ZINC001606340189 1404797253 /nfs/dbraw/zinc/79/72/53/1404797253.db2.gz GFOFIFFEXPYUGB-FWXSHLFISA-N -1 3 338.371 2.025 20 30 EEEDHM N#C[C@]1(C(=O)OCc2cc(-c3nn[n-]n3)ccn2)CC2CCC1CC2 ZINC001606340189 1404797261 /nfs/dbraw/zinc/79/72/61/1404797261.db2.gz GFOFIFFEXPYUGB-FWXSHLFISA-N -1 3 338.371 2.025 20 30 EEEDHM CC(C)(C)[C@H](CNC(=O)c1ccccc1[O-])NC(=O)C#CC1CC1 ZINC001756711194 1409236591 /nfs/dbraw/zinc/23/65/91/1409236591.db2.gz RFLRMRAHZLVPTI-INIZCTEOSA-N -1 3 328.412 2.066 20 30 EEEDHM C#CC[C@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccn1 ZINC000068596571 774715181 /nfs/dbraw/zinc/71/51/81/774715181.db2.gz JCPHYBTZMLTUKV-SFHVURJKSA-N -1 3 349.390 2.499 20 30 EEEDHM C#Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)c3ccccc3[O-])C2)cc1 ZINC000938992552 775129054 /nfs/dbraw/zinc/12/90/54/775129054.db2.gz NVKCEEINRZKBKK-QGZVFWFLSA-N -1 3 348.402 2.360 20 30 EEEDHM COc1cc([O-])c(CN2CCC(=O)[C@@H](C#N)C2)c(Br)c1 ZINC001237073224 778783523 /nfs/dbraw/zinc/78/35/23/778783523.db2.gz QMOPNAUPRVGFQA-VIFPVBQESA-N -1 3 339.189 2.078 20 30 EEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC1(C#N)CCCC1 ZINC000183834842 781883771 /nfs/dbraw/zinc/88/37/71/781883771.db2.gz LVWLDHLLPWUVNU-UHFFFAOYSA-N -1 3 327.384 2.423 20 30 EEEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccccc1NCc1ccco1 ZINC000816755698 784241390 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GVXUPTINPJKRIP-UHFFFAOYSA-N -1 3 327.388 2.493 20 30 EEEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@H](OC(C)C)C1 ZINC001338833409 1336916672 /nfs/dbraw/zinc/91/66/72/1336916672.db2.gz BVXLIYHXKHZLHT-ZDUSSCGKSA-N -1 3 344.419 2.021 20 30 EEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001339658124 1337046512 /nfs/dbraw/zinc/04/65/12/1337046512.db2.gz QNKMPCCSFQVGOL-GFCCVEGCSA-N -1 3 333.392 2.076 20 30 EEEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001340570070 1337208113 /nfs/dbraw/zinc/20/81/13/1337208113.db2.gz FZTXIODAIHXSOO-CYBMUJFWSA-N -1 3 326.404 2.171 20 30 EEEDHM C[C@@H](NC(=O)Nc1ccc(C#N)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001575305127 1343770769 /nfs/dbraw/zinc/77/07/69/1343770769.db2.gz VIEZQEVBDACSAD-SNVBAGLBSA-N -1 3 334.343 2.016 20 30 EEEDHM C[C@@H](NC(=O)Nc1ccc(C#N)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001575305127 1343770771 /nfs/dbraw/zinc/77/07/71/1343770771.db2.gz VIEZQEVBDACSAD-SNVBAGLBSA-N -1 3 334.343 2.016 20 30 EEEDHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1cccc(C#N)c1 ZINC001575327748 1343777251 /nfs/dbraw/zinc/77/72/51/1343777251.db2.gz SJCJTJCKYQORQC-JTQLQIEISA-N -1 3 336.330 2.368 20 30 EEEDHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1cccc(C#N)c1 ZINC001575327748 1343777263 /nfs/dbraw/zinc/77/72/63/1343777263.db2.gz SJCJTJCKYQORQC-JTQLQIEISA-N -1 3 336.330 2.368 20 30 EEEDHM COc1cc(Oc2cccc(C#N)c2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001579937223 1344436799 /nfs/dbraw/zinc/43/67/99/1344436799.db2.gz GCMDTTLTVKTGQN-UHFFFAOYSA-N -1 3 338.283 2.447 20 30 EEEDHM COc1cc(Oc2cccc(C#N)c2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001579937223 1344436801 /nfs/dbraw/zinc/43/68/01/1344436801.db2.gz GCMDTTLTVKTGQN-UHFFFAOYSA-N -1 3 338.283 2.447 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)cc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)n1 ZINC001580616180 1344544177 /nfs/dbraw/zinc/54/41/77/1344544177.db2.gz HIZDSMHYVXNXQI-NSHDSACASA-N -1 3 347.382 2.259 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)cc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)n1 ZINC001580616180 1344544179 /nfs/dbraw/zinc/54/41/79/1344544179.db2.gz HIZDSMHYVXNXQI-NSHDSACASA-N -1 3 347.382 2.259 20 30 EEEDHM Cc1cc(N2CCC[C@](C#N)(c3ccccn3)C2)ncc1-c1nnn[n-]1 ZINC001580963241 1344575903 /nfs/dbraw/zinc/57/59/03/1344575903.db2.gz CYZPYGDONWXRQC-GOSISDBHSA-N -1 3 346.398 2.027 20 30 EEEDHM Cc1cc(N2CCC[C@](C#N)(c3ccccn3)C2)ncc1-c1nn[n-]n1 ZINC001580963241 1344575908 /nfs/dbraw/zinc/57/59/08/1344575908.db2.gz CYZPYGDONWXRQC-GOSISDBHSA-N -1 3 346.398 2.027 20 30 EEEDHM Cc1ccc(CNC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC001581197152 1344596289 /nfs/dbraw/zinc/59/62/89/1344596289.db2.gz PDXWPISGEVNNGN-UHFFFAOYSA-N -1 3 347.382 2.046 20 30 EEEDHM Cc1ccc(CNC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC001581197152 1344596293 /nfs/dbraw/zinc/59/62/93/1344596293.db2.gz PDXWPISGEVNNGN-UHFFFAOYSA-N -1 3 347.382 2.046 20 30 EEEDHM N#CC1CCC(CNC(=O)NCc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001581856983 1344678611 /nfs/dbraw/zinc/67/86/11/1344678611.db2.gz LNFJLMPQMISRMY-UHFFFAOYSA-N -1 3 345.432 2.057 20 30 EEEDHM C#C[C@@H](C)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588324978 1348887241 /nfs/dbraw/zinc/88/72/41/1348887241.db2.gz BVMHEIDZGKPUEO-MRVPVSSYSA-N -1 3 349.192 2.115 20 30 EEEDHM C#C[C@@H](C)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588324978 1348887245 /nfs/dbraw/zinc/88/72/45/1348887245.db2.gz BVMHEIDZGKPUEO-MRVPVSSYSA-N -1 3 349.192 2.115 20 30 EEEDHM C#C[C@H](CCC)NC(=O)N(CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588327953 1348888751 /nfs/dbraw/zinc/88/87/51/1348888751.db2.gz VMWJNIVPENWSKX-MRXNPFEDSA-N -1 3 338.415 2.366 20 30 EEEDHM C#C[C@H](CCC)NC(=O)N(CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588327953 1348888758 /nfs/dbraw/zinc/88/87/58/1348888758.db2.gz VMWJNIVPENWSKX-MRXNPFEDSA-N -1 3 338.415 2.366 20 30 EEEDHM C#CCN(CC1CC1)C(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001588350950 1348894180 /nfs/dbraw/zinc/89/41/80/1348894180.db2.gz WZFPZTVYCVRMLE-UHFFFAOYSA-N -1 3 348.366 2.007 20 30 EEEDHM C#CCN(CC1CC1)C(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001588350950 1348894184 /nfs/dbraw/zinc/89/41/84/1348894184.db2.gz WZFPZTVYCVRMLE-UHFFFAOYSA-N -1 3 348.366 2.007 20 30 EEEDHM C#CCO[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC001588359984 1348895303 /nfs/dbraw/zinc/89/53/03/1348895303.db2.gz DTHHSPWGLYNYQA-ZJUUUORDSA-N -1 3 345.428 2.030 20 30 EEEDHM C#CCO[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC001588359984 1348895309 /nfs/dbraw/zinc/89/53/09/1348895309.db2.gz DTHHSPWGLYNYQA-ZJUUUORDSA-N -1 3 345.428 2.030 20 30 EEEDHM C#CCSCCNc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588364211 1348896959 /nfs/dbraw/zinc/89/69/59/1348896959.db2.gz ZPVAXSISNCYSDQ-UHFFFAOYSA-N -1 3 338.234 2.408 20 30 EEEDHM C#CCSCCNc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588364211 1348896962 /nfs/dbraw/zinc/89/69/62/1348896962.db2.gz ZPVAXSISNCYSDQ-UHFFFAOYSA-N -1 3 338.234 2.408 20 30 EEEDHM C=C(C)C[C@@H](C)C(=O)N(CCOC)c1ccc(-c2nnn[n-]2)cc1 ZINC001588400811 1348900090 /nfs/dbraw/zinc/90/00/90/1348900090.db2.gz GRMWZNDAGHRZQJ-CYBMUJFWSA-N -1 3 329.404 2.448 20 30 EEEDHM C=C(C)C[C@@H](C)C(=O)N(CCOC)c1ccc(-c2nn[n-]n2)cc1 ZINC001588400811 1348900095 /nfs/dbraw/zinc/90/00/95/1348900095.db2.gz GRMWZNDAGHRZQJ-CYBMUJFWSA-N -1 3 329.404 2.448 20 30 EEEDHM C=C(C)C[C@H](C)C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001588401435 1348900907 /nfs/dbraw/zinc/90/09/07/1348900907.db2.gz REPVMEGAFYNCOY-AWEZNQCLSA-N -1 3 340.431 2.118 20 30 EEEDHM C=C(C)C[C@H](C)C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001588401435 1348900908 /nfs/dbraw/zinc/90/09/08/1348900908.db2.gz REPVMEGAFYNCOY-AWEZNQCLSA-N -1 3 340.431 2.118 20 30 EEEDHM C=C[C@](C)(CC)C(=O)NC[C@H](CC)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001588493478 1348909378 /nfs/dbraw/zinc/90/93/78/1348909378.db2.gz GLCBBDCJAJVXGB-YVEFUNNKSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@](C)(CC)C(=O)NC[C@H](CC)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001588493478 1348909381 /nfs/dbraw/zinc/90/93/81/1348909381.db2.gz GLCBBDCJAJVXGB-YVEFUNNKSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@H](CC)CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588521415 1348912432 /nfs/dbraw/zinc/91/24/32/1348912432.db2.gz NAEQLPDVAFIWTG-CZUORRHYSA-N -1 3 341.415 2.369 20 30 EEEDHM C=C[C@H](CC)CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588521415 1348912435 /nfs/dbraw/zinc/91/24/35/1348912435.db2.gz NAEQLPDVAFIWTG-CZUORRHYSA-N -1 3 341.415 2.369 20 30 EEEDHM C=CCC1(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588556705 1348915629 /nfs/dbraw/zinc/91/56/29/1348915629.db2.gz DWLRMFQRKMVXGW-UHFFFAOYSA-N -1 3 327.388 2.251 20 30 EEEDHM C=CCC[C@@H](O)CN[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001588579190 1348919897 /nfs/dbraw/zinc/91/98/97/1348919897.db2.gz KEUWRUQGYAEIRK-OLZOCXBDSA-N -1 3 341.337 2.387 20 30 EEEDHM C=CCC[C@@H](O)CN[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001588579190 1348919899 /nfs/dbraw/zinc/91/98/99/1348919899.db2.gz KEUWRUQGYAEIRK-OLZOCXBDSA-N -1 3 341.337 2.387 20 30 EEEDHM C=CCCC(C)(C)NC(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588577128 1348920122 /nfs/dbraw/zinc/92/01/22/1348920122.db2.gz DABPYBUHBBSUCL-OAHLLOKOSA-N -1 3 340.431 2.378 20 30 EEEDHM C=CCCC(C)(C)NC(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588577128 1348920125 /nfs/dbraw/zinc/92/01/25/1348920125.db2.gz DABPYBUHBBSUCL-OAHLLOKOSA-N -1 3 340.431 2.378 20 30 EEEDHM C=CCCCC(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001588586941 1348920966 /nfs/dbraw/zinc/92/09/66/1348920966.db2.gz PTGZGRZQZZTWGW-CQSZACIVSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCCCC(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001588586941 1348920967 /nfs/dbraw/zinc/92/09/67/1348920967.db2.gz PTGZGRZQZZTWGW-CQSZACIVSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCCO[C@@H](C)C(=O)N(CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588608964 1348922639 /nfs/dbraw/zinc/92/26/39/1348922639.db2.gz SQQKSSHNWNRLSM-AWEZNQCLSA-N -1 3 341.415 2.363 20 30 EEEDHM C=CCCO[C@@H](C)C(=O)N(CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588608964 1348922644 /nfs/dbraw/zinc/92/26/44/1348922644.db2.gz SQQKSSHNWNRLSM-AWEZNQCLSA-N -1 3 341.415 2.363 20 30 EEEDHM C=CCCO[C@@H](C)c1nnc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001588611044 1348923642 /nfs/dbraw/zinc/92/36/42/1348923642.db2.gz PQSDBCVEWQCKED-NSHDSACASA-N -1 3 342.359 2.482 20 30 EEEDHM C=CCSCCNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588688731 1348928938 /nfs/dbraw/zinc/92/89/38/1348928938.db2.gz OLWPXPJEBSHXFI-LLVKDONJSA-N -1 3 332.433 2.146 20 30 EEEDHM C=CCSCCNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588688731 1348928942 /nfs/dbraw/zinc/92/89/42/1348928942.db2.gz OLWPXPJEBSHXFI-LLVKDONJSA-N -1 3 332.433 2.146 20 30 EEEDHM C[C@@H](C#N)N(Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1)C1CC1 ZINC001588934469 1348949705 /nfs/dbraw/zinc/94/97/05/1348949705.db2.gz MYVATJUQLUSQCT-LBPRGKRZSA-N -1 3 334.387 2.064 20 30 EEEDHM C[C@@H](C#N)N(Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1)C1CC1 ZINC001588934469 1348949707 /nfs/dbraw/zinc/94/97/07/1348949707.db2.gz MYVATJUQLUSQCT-LBPRGKRZSA-N -1 3 334.387 2.064 20 30 EEEDHM C[C@H](NC(=O)NCC1(C#N)CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC001589933507 1349068301 /nfs/dbraw/zinc/06/83/01/1349068301.db2.gz KMIGVVFTCNQSIS-LBPRGKRZSA-N -1 3 339.403 2.311 20 30 EEEDHM C[C@H](NC(=O)NCC1(C#N)CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC001589933507 1349068306 /nfs/dbraw/zinc/06/83/06/1349068306.db2.gz KMIGVVFTCNQSIS-LBPRGKRZSA-N -1 3 339.403 2.311 20 30 EEEDHM CC1(C)CCCN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])[C@H]1C#N ZINC001590095822 1349152371 /nfs/dbraw/zinc/15/23/71/1349152371.db2.gz BHJOKTJNTFRZBB-AWEZNQCLSA-N -1 3 341.375 2.289 20 30 EEEDHM CC1(C)CCCN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])[C@H]1C#N ZINC001590095822 1349152374 /nfs/dbraw/zinc/15/23/74/1349152374.db2.gz BHJOKTJNTFRZBB-AWEZNQCLSA-N -1 3 341.375 2.289 20 30 EEEDHM C[C@H]1[C@@H](C)N(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C[C@H]1C ZINC001590284914 1349246333 /nfs/dbraw/zinc/24/63/33/1349246333.db2.gz NTEVBOLVRIGCOL-JXFSHQFZSA-N -1 3 338.415 2.052 20 30 EEEDHM CCCCc1nc(Cn2c(C)nc(C#N)c2-c2nnn[n-]2)cs1 ZINC001590614077 1349377504 /nfs/dbraw/zinc/37/75/04/1349377504.db2.gz DAEMNYHXIIFHKS-UHFFFAOYSA-N -1 3 328.405 2.091 20 30 EEEDHM CCCCc1nc(Cn2c(C)nc(C#N)c2-c2nn[n-]n2)cs1 ZINC001590614077 1349377513 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COc1cc(-c2nn[n-]n2)ccc1NC(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC001591491287 1349491489 /nfs/dbraw/zinc/49/14/89/1349491489.db2.gz CFHCMGHIYOCVBL-DGCLKSJQSA-N -1 3 341.375 2.031 20 30 EEEDHM COc1ccc(C=NNC[C@@H]2CCCC2(F)F)cc1-c1nnn[n-]1 ZINC001591582283 1349509316 /nfs/dbraw/zinc/50/93/16/1349509316.db2.gz FQBTZGFBKKNLMK-NSHDSACASA-N -1 3 336.346 2.234 20 30 EEEDHM COc1ccc(C=NNC[C@@H]2CCCC2(F)F)cc1-c1nn[n-]n1 ZINC001591582283 1349509322 /nfs/dbraw/zinc/50/93/22/1349509322.db2.gz FQBTZGFBKKNLMK-NSHDSACASA-N -1 3 336.346 2.234 20 30 EEEDHM N#Cc1cc(N2Cc3ccc(-c4nnn[n-]4)cc3C2)c([N+](=O)[O-])s1 ZINC001592689840 1349705980 /nfs/dbraw/zinc/70/59/80/1349705980.db2.gz VVDDCPDPLJYIPT-UHFFFAOYSA-N -1 3 339.340 2.228 20 30 EEEDHM N#Cc1cc(N2Cc3ccc(-c4nn[n-]n4)cc3C2)c([N+](=O)[O-])s1 ZINC001592689840 1349705987 /nfs/dbraw/zinc/70/59/87/1349705987.db2.gz VVDDCPDPLJYIPT-UHFFFAOYSA-N -1 3 339.340 2.228 20 30 EEEDHM N#Cc1ccc(C(=O)N2CCc3cc(-c4nnn[n-]4)ccc32)c(F)c1 ZINC001592690858 1349706112 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/nfs/dbraw/zinc/42/74/69/1224427469.db2.gz DMALYKRIKZVROY-BETUJISGSA-N -1 3 342.399 2.183 20 30 EEEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1nc2c(s1)CCC2 ZINC000814860299 1199768041 /nfs/dbraw/zinc/76/80/41/1199768041.db2.gz OEPMZLKOVUYSMB-UHFFFAOYSA-N -1 3 335.454 2.128 20 30 EEEDHM O=C(Nc1cc(Br)ccc1F)N[C@H]1CCCN([O-])C1=O ZINC000878695151 1200623983 /nfs/dbraw/zinc/62/39/83/1200623983.db2.gz PANKFBLHSMSANW-VIFPVBQESA-N -1 3 346.156 2.090 20 30 EEEDHM O=C(Nc1nc(Cc2ccccc2)cs1)N[C@H]1CCCN([O-])C1=O ZINC000879176140 1200906533 /nfs/dbraw/zinc/90/65/33/1200906533.db2.gz OSDCUYAOUNGJJR-ZDUSSCGKSA-N -1 3 346.412 2.236 20 30 EEEDHM C=CCCC(=O)N1CC[C@H](NCc2nc(=O)c3sccc3[n-]2)C1 ZINC001490815354 1202427836 /nfs/dbraw/zinc/42/78/36/1202427836.db2.gz XGAJGDSNGDYLPQ-NSHDSACASA-N -1 3 332.429 2.054 20 30 EEEDHM C#Cc1cccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000136744173 1202470315 /nfs/dbraw/zinc/47/03/15/1202470315.db2.gz YETQRSFNRPBNGJ-UHFFFAOYSA-N -1 3 349.390 2.363 20 30 EEEDHM N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccccc3[O-])CC2)cn1 ZINC001066713713 1204942949 /nfs/dbraw/zinc/94/29/49/1204942949.db2.gz NCFHDTYYEMEDOL-AWEZNQCLSA-N -1 3 336.395 2.448 20 30 EEEDHM C=C1CCC(C(=O)NC[C@H]2CCN2C(=O)c2ccccc2[O-])CC1 ZINC000951963974 1211135366 /nfs/dbraw/zinc/13/53/66/1211135366.db2.gz SGDSFVKMIGZIHC-OAHLLOKOSA-N -1 3 328.412 2.469 20 30 EEEDHM O=C(CCc1nc(-c2ncccn2)no1)N([O-])Cc1ccc(F)cc1 ZINC000901374463 1235632718 /nfs/dbraw/zinc/63/27/18/1235632718.db2.gz JHWZHLWBSRXQEN-UHFFFAOYSA-N -1 3 343.318 2.016 20 30 EEEDHM C=C1CCC(C(=O)N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC001055999990 1238575890 /nfs/dbraw/zinc/57/58/90/1238575890.db2.gz VYMWMJQVPSZLRE-UHFFFAOYSA-N -1 3 346.387 2.090 20 30 EEEDHM CN(c1ncc(C#N)cc1F)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001056863812 1240447236 /nfs/dbraw/zinc/44/72/36/1240447236.db2.gz JJBJFGGFZXMFOZ-CYBMUJFWSA-N -1 3 340.358 2.149 20 30 EEEDHM N#Cc1cnccc1N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1[O-])C2 ZINC001055284197 1250051295 /nfs/dbraw/zinc/05/12/95/1250051295.db2.gz RHIBGFNXGOHULS-UNEWFSDZSA-N -1 3 334.379 2.199 20 30 EEEDHM CC1(C)CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)c1ccccc1[O-] ZINC001068091998 1250291249 /nfs/dbraw/zinc/29/12/49/1250291249.db2.gz JHXIWOSEWSODDT-MRXNPFEDSA-N -1 3 336.395 2.304 20 30 EEEDHM Cc1nc(N2CCC(NC(=O)c3ccccc3[O-])CC2)ccc1C#N ZINC001057836169 1247953517 /nfs/dbraw/zinc/95/35/17/1247953517.db2.gz CWQBTMYFPZJHTE-UHFFFAOYSA-N -1 3 336.395 2.366 20 30 EEEDHM Cc1cc(C#N)nc(N[C@@H]2C[C@H](C)N(C(=O)c3ccccc3[O-])C2)n1 ZINC001069017283 1252086599 /nfs/dbraw/zinc/08/65/99/1252086599.db2.gz KLJFTAFKPBIWPA-GXTWGEPZSA-N -1 3 337.383 2.077 20 30 EEEDHM CCCCCCCCS(=O)(=O)[N-]c1cnc(OC2COC2)nc1 ZINC001187994269 1279731817 /nfs/dbraw/zinc/73/18/17/1279731817.db2.gz HSINQIGUROVLSR-UHFFFAOYSA-N -1 3 343.449 2.356 20 30 EEEDHM COC(=O)CCS(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1Cl ZINC001188395113 1279862844 /nfs/dbraw/zinc/86/28/44/1279862844.db2.gz NYCBPKFAVVIAMF-UHFFFAOYSA-N -1 3 337.184 2.170 20 30 EEEDHM COC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1F)c1ccccc1 ZINC001190671766 1280992453 /nfs/dbraw/zinc/99/24/53/1280992453.db2.gz VPKGLLXIRLKXMX-HNNXBMFYSA-N -1 3 334.372 2.363 20 30 EEEDHM CS(=O)(=O)c1cc(C(=O)Nc2ccc([O-])c(C#N)c2)ccc1F ZINC001194380209 1283054077 /nfs/dbraw/zinc/05/40/77/1283054077.db2.gz VLSFRXWYXXGMQE-UHFFFAOYSA-N -1 3 334.328 2.059 20 30 EEEDHM C#CCCCCCC(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000854456903 1292791103 /nfs/dbraw/zinc/79/11/03/1292791103.db2.gz YFKKYPNQANUBIJ-ZIAGYGMSSA-N -1 3 331.416 2.450 20 30 EEEDHM O=[N+]([O-])c1ccccc1N1CCC(Oc2nccc(/C=N/[O-])n2)CC1 ZINC001226256497 1301325151 /nfs/dbraw/zinc/32/51/51/1301325151.db2.gz RXLMIENRXPVVIJ-WOJGMQOQSA-N -1 3 343.343 2.241 20 30 EEEDHM CCC1=C(Oc2[n-]c(=O)nc3ccc([N+](=O)[O-])cc32)C(=O)[C@@H](C)O1 ZINC001227096730 1301686227 /nfs/dbraw/zinc/68/62/27/1301686227.db2.gz SQWDDXFLCHMICV-SSDOTTSWSA-N -1 3 331.284 2.232 20 30 EEEDHM C[C@@](CNc1cncc(C#N)n1)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001103500354 1303044236 /nfs/dbraw/zinc/04/42/36/1303044236.db2.gz LDXOPEKAGFCGGT-SFHVURJKSA-N -1 3 337.383 2.064 20 30 EEEDHM N#Cc1ccc(CN2CC3(C2)CCN(C(=O)c2cccnc2)C3)c([O-])c1 ZINC001233385517 1304452805 /nfs/dbraw/zinc/45/28/05/1304452805.db2.gz LAGBDRJUJHDPET-UHFFFAOYSA-N -1 3 348.406 2.007 20 30 EEEDHM CCOC(=O)[C@@H]1CC[C@@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)C1 ZINC001234513402 1304948782 /nfs/dbraw/zinc/94/87/82/1304948782.db2.gz KJHPAZNIWKLWNJ-ZYHUDNBSSA-N -1 3 327.340 2.318 20 30 EEEDHM CCCNC(=O)CCCOC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000840194355 1315323997 /nfs/dbraw/zinc/32/39/97/1315323997.db2.gz YWEUAUOVZXMZDK-UHFFFAOYSA-N -1 3 347.415 2.058 20 30 EEEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cncn3)cc2)ccc1F ZINC001259417562 1319562143 /nfs/dbraw/zinc/56/21/43/1319562143.db2.gz CFKPSELXMFNZOL-UHFFFAOYSA-N -1 3 343.343 2.079 20 30 EEEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC001261550304 1322129492 /nfs/dbraw/zinc/12/94/92/1322129492.db2.gz UDQQKXDTEUTPQQ-SNVBAGLBSA-N -1 3 341.289 2.297 20 30 EEEDHM C=C(C)CCC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001262788999 1322376697 /nfs/dbraw/zinc/37/66/97/1322376697.db2.gz UICCXRDBAMHQDS-UHFFFAOYSA-N -1 3 348.827 2.230 20 30 EEEDHM CC1=CCC=C[C@@H]1C(=O)N1CC2(CN(Cc3ccc(C#N)cc3[O-])C2)C1 ZINC001279498073 1323917428 /nfs/dbraw/zinc/91/74/28/1323917428.db2.gz UIAJMKYKRWKQCH-SFHVURJKSA-N -1 3 349.434 2.430 20 30 EEEDHM Cc1ccc(CNC(=O)Nc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC001605853467 1351237443 /nfs/dbraw/zinc/23/74/43/1351237443.db2.gz OFKMMRYTXZGRJM-UHFFFAOYSA-N -1 3 333.355 2.369 20 30 EEEDHM Cc1ccc(CNC(=O)Nc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC001605853467 1351237444 /nfs/dbraw/zinc/23/74/44/1351237444.db2.gz OFKMMRYTXZGRJM-UHFFFAOYSA-N -1 3 333.355 2.369 20 30 EEEDHM C#CCN(C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C1CCCC1 ZINC001609020692 1351817219 /nfs/dbraw/zinc/81/72/19/1351817219.db2.gz CJMPQPCTIQVIEN-UHFFFAOYSA-N -1 3 328.351 2.416 20 30 EEEDHM C#CCN(C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C1CCCC1 ZINC001609020692 1351817223 /nfs/dbraw/zinc/81/72/23/1351817223.db2.gz CJMPQPCTIQVIEN-UHFFFAOYSA-N -1 3 328.351 2.416 20 30 EEEDHM CCN(C(=O)c1cccc(C#N)n1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609220324 1351898257 /nfs/dbraw/zinc/89/82/57/1351898257.db2.gz PWCYVFTYNWWEJK-LBPRGKRZSA-N -1 3 347.382 2.357 20 30 EEEDHM CCN(C(=O)c1cccc(C#N)n1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609220324 1351898260 /nfs/dbraw/zinc/89/82/60/1351898260.db2.gz PWCYVFTYNWWEJK-LBPRGKRZSA-N -1 3 347.382 2.357 20 30 EEEDHM Cc1ccccc1NC(=S)NN=Cc1cccc(-c2nnn[n-]2)c1 ZINC001609437194 1351976951 /nfs/dbraw/zinc/97/69/51/1351976951.db2.gz QHGSRPJRASDEFJ-UHFFFAOYSA-N -1 3 337.412 2.496 20 30 EEEDHM Cc1ccccc1NC(=S)NN=Cc1cccc(-c2nn[n-]n2)c1 ZINC001609437194 1351976952 /nfs/dbraw/zinc/97/69/52/1351976952.db2.gz QHGSRPJRASDEFJ-UHFFFAOYSA-N -1 3 337.412 2.496 20 30 EEEDHM C=CCSc1ccccc1C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001609461969 1351986271 /nfs/dbraw/zinc/98/62/71/1351986271.db2.gz YTBQTQNPOZKDJR-ZDUSSCGKSA-N -1 3 334.441 2.053 20 30 EEEDHM N#Cc1ccc2ncc(C=CC(=O)c3ccccc3-c3nnn[n-]3)n2c1 ZINC001609499357 1352000151 /nfs/dbraw/zinc/00/01/51/1352000151.db2.gz LXEZJUWSUQZPHD-SREVYHEPSA-N -1 3 341.334 2.282 20 30 EEEDHM N#Cc1ccc2ncc(C=CC(=O)c3ccccc3-c3nn[n-]n3)n2c1 ZINC001609499357 1352000157 /nfs/dbraw/zinc/00/01/57/1352000157.db2.gz LXEZJUWSUQZPHD-SREVYHEPSA-N -1 3 341.334 2.282 20 30 EEEDHM CC(C)c1cc(C(=O)N[C@H]2CCCN([O-])C2=O)c2ccccc2n1 ZINC000848138906 1338529565 /nfs/dbraw/zinc/52/95/65/1338529565.db2.gz VFNNDQPXDMYXED-HNNXBMFYSA-N -1 3 327.384 2.468 20 30 EEEDHM C#C[C@@H](NC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C)C(C)C ZINC001588327012 1348887063 /nfs/dbraw/zinc/88/70/63/1348887063.db2.gz AAPKIWNPVMPDGA-GDBMZVCRSA-N -1 3 341.415 2.044 20 30 EEEDHM C#C[C@@H](NC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C)C(C)C ZINC001588327012 1348887070 /nfs/dbraw/zinc/88/70/70/1348887070.db2.gz AAPKIWNPVMPDGA-GDBMZVCRSA-N -1 3 341.415 2.044 20 30 EEEDHM C#CCCC[C@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588342020 1348892109 /nfs/dbraw/zinc/89/21/09/1348892109.db2.gz UAILMVSUFYRUNT-STQMWFEESA-N -1 3 328.372 2.369 20 30 EEEDHM C#CCCC[C@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588342020 1348892113 /nfs/dbraw/zinc/89/21/13/1348892113.db2.gz UAILMVSUFYRUNT-STQMWFEESA-N -1 3 328.372 2.369 20 30 EEEDHM C#CCCCCCCN(c1cccc(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC001588345830 1348892239 /nfs/dbraw/zinc/89/22/39/1348892239.db2.gz MKJUMWCYSRMPLZ-UHFFFAOYSA-N -1 3 347.444 2.216 20 30 EEEDHM C#CCCCCCCN(c1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001588345830 1348892245 /nfs/dbraw/zinc/89/22/45/1348892245.db2.gz MKJUMWCYSRMPLZ-UHFFFAOYSA-N -1 3 347.444 2.216 20 30 EEEDHM C#CCOc1ccc(NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC001588361575 1348895224 /nfs/dbraw/zinc/89/52/24/1348895224.db2.gz BMOYUSGJSJXJNQ-UHFFFAOYSA-N -1 3 337.314 2.270 20 30 EEEDHM C#CCOc1ccc(NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC001588361575 1348895234 /nfs/dbraw/zinc/89/52/34/1348895234.db2.gz BMOYUSGJSJXJNQ-UHFFFAOYSA-N -1 3 337.314 2.270 20 30 EEEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1cccc2c1OCCCO2 ZINC001588381606 1348898633 /nfs/dbraw/zinc/89/86/33/1348898633.db2.gz KSDMZVQIXOVDIW-UHFFFAOYSA-N -1 3 336.355 2.474 20 30 EEEDHM C=C(C)C(C)(C)C(=O)NC[C@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001588395438 1348900369 /nfs/dbraw/zinc/90/03/69/1348900369.db2.gz HZMDGCPLZPBRAD-LBPRGKRZSA-N -1 3 343.435 2.089 20 30 EEEDHM C=C(C)C(C)(C)C(=O)NC[C@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001588395438 1348900371 /nfs/dbraw/zinc/90/03/71/1348900371.db2.gz HZMDGCPLZPBRAD-LBPRGKRZSA-N -1 3 343.435 2.089 20 30 EEEDHM C=C(C)COCCNc1ncc(-c2nnn[n-]2)cc1Br ZINC001588428794 1348904425 /nfs/dbraw/zinc/90/44/25/1348904425.db2.gz BTRLARMEWDYARP-UHFFFAOYSA-N -1 3 339.197 2.029 20 30 EEEDHM C=C(C)COCCNc1ncc(-c2nn[n-]n2)cc1Br ZINC001588428794 1348904428 /nfs/dbraw/zinc/90/44/28/1348904428.db2.gz BTRLARMEWDYARP-UHFFFAOYSA-N -1 3 339.197 2.029 20 30 EEEDHM C=CC(C)(C)CC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001588487540 1348909311 /nfs/dbraw/zinc/90/93/11/1348909311.db2.gz UQXYODODMJVLQJ-LLVKDONJSA-N -1 3 343.387 2.339 20 30 EEEDHM C=CC(C)(C)CC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001588487540 1348909312 /nfs/dbraw/zinc/90/93/12/1348909312.db2.gz UQXYODODMJVLQJ-LLVKDONJSA-N -1 3 343.387 2.339 20 30 EEEDHM C=C[C@](C)(CC)C(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588493083 1348909479 /nfs/dbraw/zinc/90/94/79/1348909479.db2.gz AGTYUVPTLCDGJO-SJKOYZFVSA-N -1 3 343.435 2.028 20 30 EEEDHM C=C[C@](C)(CC)C(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588493083 1348909483 /nfs/dbraw/zinc/90/94/83/1348909483.db2.gz AGTYUVPTLCDGJO-SJKOYZFVSA-N -1 3 343.435 2.028 20 30 EEEDHM C=CC[C@H]1CCCN(C(=O)NCc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588559261 1348916324 /nfs/dbraw/zinc/91/63/24/1348916324.db2.gz ILWILTHXVBZHAZ-NSHDSACASA-N -1 3 332.433 2.426 20 30 EEEDHM C=CCCC(=O)N[C@H](CNc1ncccc1-c1nnn[n-]1)C(C)(C)C ZINC001588570791 1348919245 /nfs/dbraw/zinc/91/92/45/1348919245.db2.gz DHQPTLYYJBCHCO-CYBMUJFWSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCCC(=O)N[C@H](CNc1ncccc1-c1nn[n-]n1)C(C)(C)C ZINC001588570791 1348919248 /nfs/dbraw/zinc/91/92/48/1348919248.db2.gz DHQPTLYYJBCHCO-CYBMUJFWSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCCCCCCNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588594514 1348922291 /nfs/dbraw/zinc/92/22/91/1348922291.db2.gz VDMCUHDUKUZGIU-UHFFFAOYSA-N -1 3 335.433 2.282 20 30 EEEDHM C=CCCCCCCNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588594514 1348922295 /nfs/dbraw/zinc/92/22/95/1348922295.db2.gz VDMCUHDUKUZGIU-UHFFFAOYSA-N -1 3 335.433 2.282 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(C(F)F)CC1 ZINC001588639760 1348926044 /nfs/dbraw/zinc/92/60/44/1348926044.db2.gz WMTNMAGJHNYABE-UHFFFAOYSA-N -1 3 333.342 2.427 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(C(F)F)CC1 ZINC001588639760 1348926046 /nfs/dbraw/zinc/92/60/46/1348926046.db2.gz WMTNMAGJHNYABE-UHFFFAOYSA-N -1 3 333.342 2.427 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(Cl)no1 ZINC001588649102 1348927442 /nfs/dbraw/zinc/92/74/42/1348927442.db2.gz HQPHQBGFSSWKST-UHFFFAOYSA-N -1 3 344.762 2.337 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(Cl)no1 ZINC001588649102 1348927445 /nfs/dbraw/zinc/92/74/45/1348927445.db2.gz HQPHQBGFSSWKST-UHFFFAOYSA-N -1 3 344.762 2.337 20 30 EEEDHM C=CCn1c(SCc2cc(-c3nnn[n-]3)ccn2)nnc1C1CC1 ZINC001588711277 1348930078 /nfs/dbraw/zinc/93/00/78/1348930078.db2.gz MNTYBUFGIRZNIO-UHFFFAOYSA-N -1 3 340.416 2.209 20 30 EEEDHM C=CCn1c(SCc2cc(-c3nn[n-]n3)ccn2)nnc1C1CC1 ZINC001588711277 1348930079 /nfs/dbraw/zinc/93/00/79/1348930079.db2.gz MNTYBUFGIRZNIO-UHFFFAOYSA-N -1 3 340.416 2.209 20 30 EEEDHM C[C@H](C#N)OCCNc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588933900 1348949075 /nfs/dbraw/zinc/94/90/75/1348949075.db2.gz BFZRSFWFKCSGCE-MRVPVSSYSA-N -1 3 342.281 2.106 20 30 EEEDHM C[C@H](C#N)OCCNc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588933900 1348949077 /nfs/dbraw/zinc/94/90/77/1348949077.db2.gz BFZRSFWFKCSGCE-MRVPVSSYSA-N -1 3 342.281 2.106 20 30 EEEDHM C[C@]1(C#N)CN(c2ccc(C(F)(F)F)c(-c3nnn[n-]3)c2)CCO1 ZINC001590056427 1349135193 /nfs/dbraw/zinc/13/51/93/1349135193.db2.gz KTUAVXIQRMVPCO-ZDUSSCGKSA-N -1 3 338.293 2.004 20 30 EEEDHM C[C@]1(C#N)CN(c2ccc(C(F)(F)F)c(-c3nn[n-]n3)c2)CCO1 ZINC001590056427 1349135194 /nfs/dbraw/zinc/13/51/94/1349135194.db2.gz KTUAVXIQRMVPCO-ZDUSSCGKSA-N -1 3 338.293 2.004 20 30 EEEDHM C[C@]1(C#N)CCN(c2c(Br)cccc2-c2nnn[n-]2)C1 ZINC001590056348 1349135311 /nfs/dbraw/zinc/13/53/11/1349135311.db2.gz HUDHGETVMJYABT-CYBMUJFWSA-N -1 3 333.193 2.369 20 30 EEEDHM C[C@]1(C#N)CCN(c2c(Br)cccc2-c2nn[n-]n2)C1 ZINC001590056348 1349135316 /nfs/dbraw/zinc/13/53/16/1349135316.db2.gz HUDHGETVMJYABT-CYBMUJFWSA-N -1 3 333.193 2.369 20 30 EEEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)c2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001590241533 1349219962 /nfs/dbraw/zinc/21/99/62/1349219962.db2.gz WZRPBEUDDCYQID-MGPLVRAMSA-N -1 3 328.351 2.208 20 30 EEEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)c2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001590241533 1349219969 /nfs/dbraw/zinc/21/99/69/1349219969.db2.gz WZRPBEUDDCYQID-MGPLVRAMSA-N -1 3 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O=C(OCC#Cc1ccc(Cl)cc1)c1cnccc1-c1nnn[n-]1 ZINC001606964549 1351385519 /nfs/dbraw/zinc/38/55/19/1351385519.db2.gz WJBZRPXMJCVCQR-UHFFFAOYSA-N -1 3 339.742 2.124 20 30 EEEDHM O=C(OCC#Cc1ccc(Cl)cc1)c1cnccc1-c1nn[n-]n1 ZINC001606964549 1351385523 /nfs/dbraw/zinc/38/55/23/1351385523.db2.gz WJBZRPXMJCVCQR-UHFFFAOYSA-N -1 3 339.742 2.124 20 30 EEEDHM CCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC001190601660 1368415149 /nfs/dbraw/zinc/41/51/49/1368415149.db2.gz BFUZHFPIGAKGLL-AWEZNQCLSA-N -1 3 344.820 2.487 20 30 EEEDHM C#CC1([N-]S(=O)(=O)c2ncccc2OCc2ccccc2)CC1 ZINC001201902655 1368854261 /nfs/dbraw/zinc/85/42/61/1368854261.db2.gz RRQONYKLKWFZOS-UHFFFAOYSA-N -1 3 328.393 2.105 20 30 EEEDHM N#Cc1cnccc1NC[C@@H]1CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001069435080 1370123635 /nfs/dbraw/zinc/12/36/35/1370123635.db2.gz XRHZBNVOISIGIN-HIFRSBDPSA-N -1 3 336.395 2.091 20 30 EEEDHM CCN(C(=O)CNc1c(C#N)cccc1-c1nnn[n-]1)c1ccccc1 ZINC001577805408 1403686594 /nfs/dbraw/zinc/68/65/94/1403686594.db2.gz 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N#CCSc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001581858580 1344679262 /nfs/dbraw/zinc/67/92/62/1344679262.db2.gz MQMUHBVXPFVTJA-UHFFFAOYSA-N -1 3 337.368 2.130 20 30 EEEDHM N#Cc1cc(C(=O)N2CCCc3c(-c4nnn[n-]4)cccc32)cs1 ZINC001581864041 1344681455 /nfs/dbraw/zinc/68/14/55/1344681455.db2.gz CNCQPZJVBFDMRI-UHFFFAOYSA-N -1 3 336.380 2.393 20 30 EEEDHM N#Cc1cc(C(=O)N2CCCc3c(-c4nn[n-]n4)cccc32)cs1 ZINC001581864041 1344681463 /nfs/dbraw/zinc/68/14/63/1344681463.db2.gz CNCQPZJVBFDMRI-UHFFFAOYSA-N -1 3 336.380 2.393 20 30 EEEDHM N#Cc1ccc(F)cc1N1CC(Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001581871066 1344683172 /nfs/dbraw/zinc/68/31/72/1344683172.db2.gz FMUUGOVOYVIWLU-UHFFFAOYSA-N -1 3 335.346 2.178 20 30 EEEDHM N#Cc1ccc(F)cc1N1CC(Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001581871066 1344683177 /nfs/dbraw/zinc/68/31/77/1344683177.db2.gz FMUUGOVOYVIWLU-UHFFFAOYSA-N -1 3 335.346 2.178 20 30 EEEDHM N#Cc1ccc2c(c1)CCCN2C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001581874606 1344684266 /nfs/dbraw/zinc/68/42/66/1344684266.db2.gz YXQYAEOKUTXKAC-UHFFFAOYSA-N -1 3 330.351 2.331 20 30 EEEDHM N#Cc1ccc2c(c1)CCCN2C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001581874606 1344684269 /nfs/dbraw/zinc/68/42/69/1344684269.db2.gz YXQYAEOKUTXKAC-UHFFFAOYSA-N -1 3 330.351 2.331 20 30 EEEDHM C#C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC001588330103 1348889818 /nfs/dbraw/zinc/88/98/18/1348889818.db2.gz VAOOKBLNCVVXEJ-CYBMUJFWSA-N -1 3 338.396 2.102 20 30 EEEDHM C#CCCN(CCOC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588346372 1348893840 /nfs/dbraw/zinc/89/38/40/1348893840.db2.gz JUUYYLALWBFLNL-UHFFFAOYSA-N -1 3 348.794 2.024 20 30 EEEDHM C#CCCN(CCOC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588346372 1348893845 /nfs/dbraw/zinc/89/38/45/1348893845.db2.gz JUUYYLALWBFLNL-UHFFFAOYSA-N -1 3 348.794 2.024 20 30 EEEDHM C#CCN(Cc1ccc(F)cc1)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588350833 1348894046 /nfs/dbraw/zinc/89/40/46/1348894046.db2.gz ROMCICKHTSGENA-UHFFFAOYSA-N -1 3 349.369 2.210 20 30 EEEDHM C#CCN(Cc1ccc(F)cc1)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588350833 1348894051 /nfs/dbraw/zinc/89/40/51/1348894051.db2.gz ROMCICKHTSGENA-UHFFFAOYSA-N -1 3 349.369 2.210 20 30 EEEDHM C#C[C@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC001588365257 1348897076 /nfs/dbraw/zinc/89/70/76/1348897076.db2.gz RJJKPHNKFBAHIN-UMSPYCQHSA-N -1 3 328.351 2.319 20 30 EEEDHM C#C[C@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC001588365257 1348897080 /nfs/dbraw/zinc/89/70/80/1348897080.db2.gz RJJKPHNKFBAHIN-UMSPYCQHSA-N -1 3 328.351 2.319 20 30 EEEDHM C#Cc1ccccc1CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588377512 1348897602 /nfs/dbraw/zinc/89/76/02/1348897602.db2.gz YBERSVJBCUFWGL-ZDUSSCGKSA-N -1 3 331.379 2.268 20 30 EEEDHM C#Cc1ccccc1CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588377512 1348897609 /nfs/dbraw/zinc/89/76/09/1348897609.db2.gz YBERSVJBCUFWGL-ZDUSSCGKSA-N -1 3 331.379 2.268 20 30 EEEDHM C#Cc1cccc(CNC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588374891 1348898211 /nfs/dbraw/zinc/89/82/11/1348898211.db2.gz VJPMWUVDEXPNTP-UHFFFAOYSA-N -1 3 346.394 2.190 20 30 EEEDHM C#Cc1cccc(CNC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588374891 1348898219 /nfs/dbraw/zinc/89/82/19/1348898219.db2.gz VJPMWUVDEXPNTP-UHFFFAOYSA-N -1 3 346.394 2.190 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cc1COC ZINC001588401358 1348901575 /nfs/dbraw/zinc/90/15/75/1348901575.db2.gz QFUGXIWCWFLOFX-CJNGLKHVSA-N -1 3 329.404 2.406 20 30 EEEDHM C=C(C)CCC(=O)N[C@H](C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588416333 1348903223 /nfs/dbraw/zinc/90/32/23/1348903223.db2.gz USQZQYWNYYOVFY-CHWSQXEVSA-N -1 3 343.435 2.313 20 30 EEEDHM C=C(C)CCC(=O)N[C@H](C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588416333 1348903225 /nfs/dbraw/zinc/90/32/25/1348903225.db2.gz USQZQYWNYYOVFY-CHWSQXEVSA-N -1 3 343.435 2.313 20 30 EEEDHM C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC001588456269 1348905933 /nfs/dbraw/zinc/90/59/33/1348905933.db2.gz KHKUODJYQAJYQX-XHSDSOJGSA-N -1 3 339.399 2.264 20 30 EEEDHM C=C[C@@H](C(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1 ZINC001588467451 1348907181 /nfs/dbraw/zinc/90/71/81/1348907181.db2.gz JKYBPPIDZHIQCQ-QZTJIDSGSA-N -1 3 345.406 2.420 20 30 EEEDHM C=C[C@@H](C(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1 ZINC001588467451 1348907185 /nfs/dbraw/zinc/90/71/85/1348907185.db2.gz JKYBPPIDZHIQCQ-QZTJIDSGSA-N -1 3 345.406 2.420 20 30 EEEDHM C=C[C@@](C)(CCOC)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588499817 1348910041 /nfs/dbraw/zinc/91/00/41/1348910041.db2.gz MVHLDZOERLIKLE-INIZCTEOSA-N -1 3 334.351 2.278 20 30 EEEDHM C=C[C@@](C)(CCOC)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588499817 1348910046 /nfs/dbraw/zinc/91/00/46/1348910046.db2.gz MVHLDZOERLIKLE-INIZCTEOSA-N -1 3 334.351 2.278 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N[C@@H](C)CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001588520223 1348912630 /nfs/dbraw/zinc/91/26/30/1348912630.db2.gz ADHLOTHNNVVTFF-STQMWFEESA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N[C@@H](C)CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001588520223 1348912633 /nfs/dbraw/zinc/91/26/33/1348912633.db2.gz ADHLOTHNNVVTFF-STQMWFEESA-N -1 3 343.435 2.171 20 30 EEEDHM C=CC[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001588530659 1348913463 /nfs/dbraw/zinc/91/34/63/1348913463.db2.gz RVAFSUZORWQMPS-MRXNPFEDSA-N -1 3 334.383 2.238 20 30 EEEDHM C=CC[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001588530659 1348913465 /nfs/dbraw/zinc/91/34/65/1348913465.db2.gz RVAFSUZORWQMPS-MRXNPFEDSA-N -1 3 334.383 2.238 20 30 EEEDHM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588560743 1348916810 /nfs/dbraw/zinc/91/68/10/1348916810.db2.gz UNPKQSGEPTUKFT-SWLSCSKDSA-N -1 3 347.444 2.280 20 30 EEEDHM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588560743 1348916814 /nfs/dbraw/zinc/91/68/14/1348916814.db2.gz UNPKQSGEPTUKFT-SWLSCSKDSA-N -1 3 347.444 2.280 20 30 EEEDHM C=CCCC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001588571501 1348919140 /nfs/dbraw/zinc/91/91/40/1348919140.db2.gz KRSIWDWIROXCOQ-AWEZNQCLSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCCC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001588571501 1348919146 /nfs/dbraw/zinc/91/91/46/1348919146.db2.gz KRSIWDWIROXCOQ-AWEZNQCLSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCCCC(=O)N(C)CCN(C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001588582049 1348919727 /nfs/dbraw/zinc/91/97/27/1348919727.db2.gz FXCVWYADDYDVQE-UHFFFAOYSA-N -1 3 348.476 2.175 20 30 EEEDHM C=CCCCC(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588583631 1348921353 /nfs/dbraw/zinc/92/13/53/1348921353.db2.gz ZSDKTSMXLWLEFB-UHFFFAOYSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCCC(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588583631 1348921355 /nfs/dbraw/zinc/92/13/55/1348921355.db2.gz ZSDKTSMXLWLEFB-UHFFFAOYSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCCC(=O)N1CCC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001588588417 1348921927 /nfs/dbraw/zinc/92/19/27/1348921927.db2.gz NCDUOZRXGTYMCT-ZDUSSCGKSA-N -1 3 341.419 2.021 20 30 EEEDHM C=CCCCC(=O)N1CCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001588588417 1348921930 /nfs/dbraw/zinc/92/19/30/1348921930.db2.gz NCDUOZRXGTYMCT-ZDUSSCGKSA-N -1 3 341.419 2.021 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC001588728726 1348931338 /nfs/dbraw/zinc/93/13/38/1348931338.db2.gz WGRDTMKRMDMRLF-WPRPVWTQSA-N -1 3 340.309 2.284 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC001588728726 1348931341 /nfs/dbraw/zinc/93/13/41/1348931341.db2.gz WGRDTMKRMDMRLF-WPRPVWTQSA-N -1 3 340.309 2.284 20 30 EEEDHM CC#CCCNC(=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588746762 1348931898 /nfs/dbraw/zinc/93/18/98/1348931898.db2.gz VZPGPRPMAFBIQB-UHFFFAOYSA-N -1 3 338.415 2.169 20 30 EEEDHM CC#CCCNC(=O)N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588746762 1348931899 /nfs/dbraw/zinc/93/18/99/1348931899.db2.gz VZPGPRPMAFBIQB-UHFFFAOYSA-N -1 3 338.415 2.169 20 30 EEEDHM CC(C)(C(=O)OCc1ccc(C#N)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589062074 1348956848 /nfs/dbraw/zinc/95/68/48/1348956848.db2.gz SXANVWGDJZZPLP-UHFFFAOYSA-N -1 3 348.366 2.154 20 30 EEEDHM CC(C)(C(=O)OCc1ccc(C#N)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589062074 1348956851 /nfs/dbraw/zinc/95/68/51/1348956851.db2.gz SXANVWGDJZZPLP-UHFFFAOYSA-N -1 3 348.366 2.154 20 30 EEEDHM CC(C)CN(CCC#N)C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001589619981 1349012371 /nfs/dbraw/zinc/01/23/71/1349012371.db2.gz UWYRCCHVYBLOTP-UHFFFAOYSA-N -1 3 348.357 2.357 20 30 EEEDHM CC(C)CN(CCC#N)C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001589619981 1349012375 /nfs/dbraw/zinc/01/23/75/1349012375.db2.gz UWYRCCHVYBLOTP-UHFFFAOYSA-N -1 3 348.357 2.357 20 30 EEEDHM CC(C)Oc1ccc(NC(=O)N2CC(C)(C#N)C2)cc1-c1nnn[n-]1 ZINC001589756265 1349030973 /nfs/dbraw/zinc/03/09/73/1349030973.db2.gz NZKCIRYWFAGYGU-UHFFFAOYSA-N -1 3 341.375 2.031 20 30 EEEDHM CC(C)Oc1ccc(NC(=O)N2CC(C)(C#N)C2)cc1-c1nn[n-]n1 ZINC001589756265 1349030978 /nfs/dbraw/zinc/03/09/78/1349030978.db2.gz NZKCIRYWFAGYGU-UHFFFAOYSA-N -1 3 341.375 2.031 20 30 EEEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC1(C#N)CCC1 ZINC001589896515 1349056716 /nfs/dbraw/zinc/05/67/16/1349056716.db2.gz XXUBYLZZFSJWMZ-GFCCVEGCSA-N -1 3 325.372 2.282 20 30 EEEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC1(C#N)CCC1 ZINC001589896515 1349056721 /nfs/dbraw/zinc/05/67/21/1349056721.db2.gz XXUBYLZZFSJWMZ-GFCCVEGCSA-N -1 3 325.372 2.282 20 30 EEEDHM CCC(N=Nc1nncc(N)c1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC001590358893 1349283643 /nfs/dbraw/zinc/28/36/43/1349283643.db2.gz JXDPKALODVMGHP-UHFFFAOYSA-N -1 3 343.782 2.119 20 30 EEEDHM CCC(N=Nc1nncc(N)c1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC001590358893 1349283648 /nfs/dbraw/zinc/28/36/48/1349283648.db2.gz JXDPKALODVMGHP-UHFFFAOYSA-N -1 3 343.782 2.119 20 30 EEEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1coc(C#N)c1 ZINC001590638917 1349382573 /nfs/dbraw/zinc/38/25/73/1349382573.db2.gz DWZJJYFGWOTIDT-UHFFFAOYSA-N -1 3 337.343 2.406 20 30 EEEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)N(C[C@H](C)C#N)C1CC1 ZINC001591984431 1349577642 /nfs/dbraw/zinc/57/76/42/1349577642.db2.gz NKDLMDMGMIWCDA-SECBINFHSA-N -1 3 343.366 2.470 20 30 EEEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)N(C[C@H](C)C#N)C1CC1 ZINC001591984431 1349577652 /nfs/dbraw/zinc/57/76/52/1349577652.db2.gz NKDLMDMGMIWCDA-SECBINFHSA-N -1 3 343.366 2.470 20 30 EEEDHM Cn1cc(CN2CCC[C@H](C#N)C2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001592573829 1349660735 /nfs/dbraw/zinc/66/07/35/1349660735.db2.gz UZBGVAGAZFCOMM-CYBMUJFWSA-N -1 3 348.414 2.003 20 30 EEEDHM Cn1cc(CN2CCC[C@H](C#N)C2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001592573829 1349660741 /nfs/dbraw/zinc/66/07/41/1349660741.db2.gz UZBGVAGAZFCOMM-CYBMUJFWSA-N -1 3 348.414 2.003 20 30 EEEDHM N#CC1CCC(COC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001592672447 1349704131 /nfs/dbraw/zinc/70/41/31/1349704131.db2.gz ISBXIYDZAZBZBW-UHFFFAOYSA-N -1 3 329.335 2.493 20 30 EEEDHM N#CC1CCC(COC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001592672447 1349704137 /nfs/dbraw/zinc/70/41/37/1349704137.db2.gz ISBXIYDZAZBZBW-UHFFFAOYSA-N -1 3 329.335 2.493 20 30 EEEDHM N#CC[C@@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001592673177 1349704341 /nfs/dbraw/zinc/70/43/41/1349704341.db2.gz AGHXBOFPZZWOGU-JTQLQIEISA-N -1 3 329.339 2.163 20 30 EEEDHM N#CC[C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001592673177 1349704345 /nfs/dbraw/zinc/70/43/45/1349704345.db2.gz AGHXBOFPZZWOGU-JTQLQIEISA-N -1 3 329.339 2.163 20 30 EEEDHM N#C[C@@H]1CCC[C@H](OC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC001592672104 1349704459 /nfs/dbraw/zinc/70/44/59/1349704459.db2.gz CBVQRJFAUORYLL-SCZZXKLOSA-N -1 3 333.298 2.384 20 30 EEEDHM N#C[C@@H]1CCC[C@H](OC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001592672104 1349704461 /nfs/dbraw/zinc/70/44/61/1349704461.db2.gz CBVQRJFAUORYLL-SCZZXKLOSA-N -1 3 333.298 2.384 20 30 EEEDHM N#Cc1cccc([N+](=O)[O-])c1NCc1cc(-c2nnn[n-]2)ccc1F ZINC001592703284 1349708797 /nfs/dbraw/zinc/70/87/97/1349708797.db2.gz LYKIKADEFZZMPF-UHFFFAOYSA-N -1 3 339.290 2.398 20 30 EEEDHM N#Cc1cccc([N+](=O)[O-])c1NCc1cc(-c2nn[n-]n2)ccc1F ZINC001592703284 1349708800 /nfs/dbraw/zinc/70/88/00/1349708800.db2.gz LYKIKADEFZZMPF-UHFFFAOYSA-N -1 3 339.290 2.398 20 30 EEEDHM N#Cc1cccnc1-n1cc(Nc2cc(F)ccc2-c2nnn[n-]2)cn1 ZINC001592702880 1349708856 /nfs/dbraw/zinc/70/88/56/1349708856.db2.gz HRACYESAPBVLDG-UHFFFAOYSA-N -1 3 347.317 2.202 20 30 EEEDHM N#Cc1cccnc1-n1cc(Nc2cc(F)ccc2-c2nn[n-]n2)cn1 ZINC001592702880 1349708859 /nfs/dbraw/zinc/70/88/59/1349708859.db2.gz HRACYESAPBVLDG-UHFFFAOYSA-N -1 3 347.317 2.202 20 30 EEEDHM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@@H]2N1CCOc1ccccc1C#N ZINC001594338705 1349875051 /nfs/dbraw/zinc/87/50/51/1349875051.db2.gz CQNXVZVUQMVPEZ-NQZOLGFYSA-N -1 3 330.384 2.032 20 30 EEEDHM N#Cc1cccc(-c2nnc(CN3CC[C@@]4(C(=O)[O-])CCC[C@@H]34)o2)c1 ZINC001601115990 1350213158 /nfs/dbraw/zinc/21/31/58/1350213158.db2.gz GOTMGWWQUFFBFP-KDOFPFPSSA-N -1 3 338.367 2.437 20 30 EEEDHM C#C[C@H](Nc1cc(Br)ccc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001602690278 1350573361 /nfs/dbraw/zinc/57/33/61/1350573361.db2.gz AKCOCQIWSTVSBI-WCQYABFASA-N -1 3 348.204 2.222 20 30 EEEDHM C#C[C@H](Nc1cc(Br)ccc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001602690278 1350573362 /nfs/dbraw/zinc/57/33/62/1350573362.db2.gz AKCOCQIWSTVSBI-WCQYABFASA-N -1 3 348.204 2.222 20 30 EEEDHM C#CCCCCC(=O)N[C@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001602710658 1350576485 /nfs/dbraw/zinc/57/64/85/1350576485.db2.gz YJGKVZUJMDRDQB-GFCCVEGCSA-N -1 3 344.394 2.116 20 30 EEEDHM C#CCCCCC(=O)N[C@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001602710658 1350576487 /nfs/dbraw/zinc/57/64/87/1350576487.db2.gz YJGKVZUJMDRDQB-GFCCVEGCSA-N -1 3 344.394 2.116 20 30 EEEDHM C#CCOc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001602733230 1350578129 /nfs/dbraw/zinc/57/81/29/1350578129.db2.gz WNBSRLCIIBVKOO-UHFFFAOYSA-N -1 3 325.353 2.193 20 30 EEEDHM C#CCOc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001602733230 1350578131 /nfs/dbraw/zinc/57/81/31/1350578131.db2.gz WNBSRLCIIBVKOO-UHFFFAOYSA-N -1 3 325.353 2.193 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N(C)CCNc1nc(C)ccc1-c1nnn[n-]1 ZINC001602748612 1350580839 /nfs/dbraw/zinc/58/08/39/1350580839.db2.gz DUIZFJHPASGSKY-UHFFFAOYSA-N -1 3 343.435 2.043 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N(C)CCNc1nc(C)ccc1-c1nn[n-]n1 ZINC001602748612 1350580843 /nfs/dbraw/zinc/58/08/43/1350580843.db2.gz DUIZFJHPASGSKY-UHFFFAOYSA-N -1 3 343.435 2.043 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001602752132 1350581461 /nfs/dbraw/zinc/58/14/61/1350581461.db2.gz ZSMAFZKXTJUWOH-NWDGAFQWSA-N -1 3 343.435 2.169 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001602752132 1350581465 /nfs/dbraw/zinc/58/14/65/1350581465.db2.gz ZSMAFZKXTJUWOH-NWDGAFQWSA-N -1 3 343.435 2.169 20 30 EEEDHM C=CCC1(NC(=O)c2cccc(-c3nnn[n-]3)c2C)CCOCC1 ZINC001602818107 1350591178 /nfs/dbraw/zinc/59/11/78/1350591178.db2.gz CAMZEXGTBHGNCR-UHFFFAOYSA-N -1 3 327.388 2.030 20 30 EEEDHM C=CCC1(NC(=O)c2cccc(-c3nn[n-]n3)c2C)CCOCC1 ZINC001602818107 1350591179 /nfs/dbraw/zinc/59/11/79/1350591179.db2.gz CAMZEXGTBHGNCR-UHFFFAOYSA-N -1 3 327.388 2.030 20 30 EEEDHM C=CCCCC(=O)N[C@H]1C[C@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001602833773 1350592944 /nfs/dbraw/zinc/59/29/44/1350592944.db2.gz AGKLSFNRQYROQA-XYPYZODXSA-N -1 3 347.448 2.047 20 30 EEEDHM C=CCN(CC=C)C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001602850697 1350595815 /nfs/dbraw/zinc/59/58/15/1350595815.db2.gz SNTKILHWTZIYTK-INIZCTEOSA-N -1 3 338.415 2.036 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1coc(CC)n1 ZINC001602857879 1350597345 /nfs/dbraw/zinc/59/73/45/1350597345.db2.gz FDAAMDPKCZHDSD-UHFFFAOYSA-N -1 3 338.371 2.246 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1coc(CC)n1 ZINC001602857879 1350597347 /nfs/dbraw/zinc/59/73/47/1350597347.db2.gz FDAAMDPKCZHDSD-UHFFFAOYSA-N -1 3 338.371 2.246 20 30 EEEDHM C=CCSc1ccccc1C(=O)Nc1n[nH]c(C)c1-c1nnn[n-]1 ZINC001602870949 1350598858 /nfs/dbraw/zinc/59/88/58/1350598858.db2.gz PMBMNNKISFBKQR-UHFFFAOYSA-N -1 3 341.400 2.429 20 30 EEEDHM CCN(CCC#N)C(=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001604290549 1350910404 /nfs/dbraw/zinc/91/04/04/1350910404.db2.gz WFPVHKQUZJGMNO-UHFFFAOYSA-N -1 3 349.192 2.005 20 30 EEEDHM CCN(CCC#N)C(=O)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001604290549 1350910406 /nfs/dbraw/zinc/91/04/06/1350910406.db2.gz WFPVHKQUZJGMNO-UHFFFAOYSA-N -1 3 349.192 2.005 20 30 EEEDHM COc1cc(C#N)ccc1C(=O)Oc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001605190969 1351099639 /nfs/dbraw/zinc/09/96/39/1351099639.db2.gz AXTYOVUNBCYCIU-UHFFFAOYSA-N -1 3 335.323 2.275 20 30 EEEDHM COc1cc(C#N)ccc1C(=O)Oc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001605190969 1351099643 /nfs/dbraw/zinc/09/96/43/1351099643.db2.gz AXTYOVUNBCYCIU-UHFFFAOYSA-N -1 3 335.323 2.275 20 30 EEEDHM Cc1cc(C#N)nc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC001605588492 1351195710 /nfs/dbraw/zinc/19/57/10/1351195710.db2.gz HGHHPFCDZSSDMV-INIZCTEOSA-N -1 3 347.382 2.020 20 30 EEEDHM Cc1cc(C#N)nc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC001605588492 1351195712 /nfs/dbraw/zinc/19/57/12/1351195712.db2.gz HGHHPFCDZSSDMV-INIZCTEOSA-N -1 3 347.382 2.020 20 30 EEEDHM Cc1ccc(S[C@H](C)C(=O)N(C)CCC#N)c(-c2nnn[n-]2)c1 ZINC001605880696 1351245332 /nfs/dbraw/zinc/24/53/32/1351245332.db2.gz BCKWMFPMUIPAMI-LLVKDONJSA-N -1 3 330.417 2.028 20 30 EEEDHM Cc1ccc(S[C@H](C)C(=O)N(C)CCC#N)c(-c2nn[n-]n2)c1 ZINC001605880696 1351245335 /nfs/dbraw/zinc/24/53/35/1351245335.db2.gz BCKWMFPMUIPAMI-LLVKDONJSA-N -1 3 330.417 2.028 20 30 EEEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N(c1cccc(C#N)c1)C1CCC1 ZINC001606223878 1351285792 /nfs/dbraw/zinc/28/57/92/1351285792.db2.gz ACRXEBMKDWCVNF-UHFFFAOYSA-N -1 3 347.382 2.276 20 30 EEEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N(c1cccc(C#N)c1)C1CCC1 ZINC001606223878 1351285798 /nfs/dbraw/zinc/28/57/98/1351285798.db2.gz ACRXEBMKDWCVNF-UHFFFAOYSA-N -1 3 347.382 2.276 20 30 EEEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1-n1ccnn1 ZINC001606485355 1351309535 /nfs/dbraw/zinc/30/95/35/1351309535.db2.gz IDGRWDSCFCTIRV-KTKRTIGZSA-N -1 3 343.350 2.344 20 30 EEEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1-n1ccnn1 ZINC001606485355 1351309539 /nfs/dbraw/zinc/30/95/39/1351309539.db2.gz IDGRWDSCFCTIRV-KTKRTIGZSA-N -1 3 343.350 2.344 20 30 EEEDHM COC(=O)N1CCC[C@H]([C@@H](C)NCc2cccc(C(=O)[O-])c2C#N)C1 ZINC001606491457 1351311435 /nfs/dbraw/zinc/31/14/35/1351311435.db2.gz IJHAOCQNYHDHSQ-OCCSQVGLSA-N -1 3 345.399 2.213 20 30 EEEDHM COC(=O)N1CCC[C@@H]([C@H](C)NCc2cccc(C(=O)[O-])c2C#N)C1 ZINC001606491455 1351311815 /nfs/dbraw/zinc/31/18/15/1351311815.db2.gz IJHAOCQNYHDHSQ-GXTWGEPZSA-N -1 3 345.399 2.213 20 30 EEEDHM COc1cccc2c1OCC[C@@H]2/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001647260555 1353209869 /nfs/dbraw/zinc/20/98/69/1353209869.db2.gz CEVWHXYLVSQEKG-ZDUSSCGKSA-N -1 3 344.392 2.258 20 30 EEEDHM COc1cccc([C@@H](C/N=C/c2c([O-])c(C)ncc2CO)OC)c1 ZINC000864345106 1369593963 /nfs/dbraw/zinc/59/39/63/1369593963.db2.gz OMZRGPMAONRCJA-AHUIGUKZSA-N -1 3 330.384 2.403 20 30 EEEDHM C=CCCOCC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC001075041758 1370969834 /nfs/dbraw/zinc/96/98/34/1370969834.db2.gz WVHFBFQSEJRHCK-GJZGRUSLSA-N -1 3 346.427 2.094 20 30 EEEDHM O=C(CCCc1ccc2c(c1)CCCC2)N[C@H]1CCCN([O-])C1=O ZINC000848130015 1373084877 /nfs/dbraw/zinc/08/48/77/1373084877.db2.gz FHLRZWABZIQTBR-KRWDZBQOSA-N -1 3 330.428 2.385 20 30 EEEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000848134183 1373086290 /nfs/dbraw/zinc/08/62/90/1373086290.db2.gz PDIVAPOEFRWBNE-VIFPVBQESA-N -1 3 338.232 2.094 20 30 EEEDHM Cc1nc([C@@](C)([N-]S(=O)(=O)c2ccccc2CC#N)C2CC2)no1 ZINC001363980501 1373566317 /nfs/dbraw/zinc/56/63/17/1373566317.db2.gz BBUYVXGEMQNMQT-INIZCTEOSA-N -1 3 346.412 2.048 20 30 EEEDHM C[C@@H](C#N)C(=O)NCC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001399508617 1395176728 /nfs/dbraw/zinc/17/67/28/1395176728.db2.gz PFJWHAUGMSDUQF-UONOGXRCSA-N -1 3 329.400 2.053 20 30 EEEDHM Cc1cc(COC(=O)c2ccc(C#N)c(C)n2)ccc1-c1nnn[n-]1 ZINC001591971052 1403975962 /nfs/dbraw/zinc/97/59/62/1403975962.db2.gz CEDCPEGYOPNJAJ-UHFFFAOYSA-N -1 3 334.339 2.107 20 30 EEEDHM Cc1cc(COC(=O)c2ccc(C#N)c(C)n2)ccc1-c1nn[n-]n1 ZINC001591971052 1403975968 /nfs/dbraw/zinc/97/59/68/1403975968.db2.gz CEDCPEGYOPNJAJ-UHFFFAOYSA-N -1 3 334.339 2.107 20 30 EEEDHM Cc1nsc(NCc2cccc(OCC#N)c2)c1-c1nnn[n-]1 ZINC001592492909 1404701616 /nfs/dbraw/zinc/70/16/16/1404701616.db2.gz CVDBISVWBLHCEM-UHFFFAOYSA-N -1 3 327.373 2.146 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@@](O)(c2ccccc2)C1 ZINC001592699340 1404717460 /nfs/dbraw/zinc/71/74/60/1404717460.db2.gz WKWRGOBXHQFYGN-IBGZPJMESA-N -1 3 346.394 2.226 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@@](O)(c2ccccc2)C1 ZINC001592699340 1404717462 /nfs/dbraw/zinc/71/74/62/1404717462.db2.gz WKWRGOBXHQFYGN-IBGZPJMESA-N -1 3 346.394 2.226 20 30 EEEDHM Fc1cc2nc(NN=Cc3cccc(-c4nn[n-]n4)c3)[nH]c2cc1F ZINC001606313103 1404788094 /nfs/dbraw/zinc/78/80/94/1404788094.db2.gz ICGTYDXRJDSVBM-UHFFFAOYSA-N -1 3 340.297 2.467 20 30 EEEDHM N#Cc1c2c(nc(NC3CSC3)c1-c1nnn[n-]1)CCCCCC2 ZINC001606358254 1404802993 /nfs/dbraw/zinc/80/29/93/1404802993.db2.gz IWCKMQOYZMTNCC-UHFFFAOYSA-N -1 3 341.444 2.320 20 30 EEEDHM N#Cc1c2c(nc(NC3CSC3)c1-c1nn[n-]n1)CCCCCC2 ZINC001606358254 1404802995 /nfs/dbraw/zinc/80/29/95/1404802995.db2.gz IWCKMQOYZMTNCC-UHFFFAOYSA-N -1 3 341.444 2.320 20 30 EEEDHM N#Cc1ccc(F)c(NC(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)c1 ZINC001606369228 1404803834 /nfs/dbraw/zinc/80/38/34/1404803834.db2.gz UJRIXFRCHSRYNR-UHFFFAOYSA-N -1 3 349.329 2.425 20 30 EEEDHM N#Cc1ccc(F)c(NC(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)c1 ZINC001606369228 1404803842 /nfs/dbraw/zinc/80/38/42/1404803842.db2.gz UJRIXFRCHSRYNR-UHFFFAOYSA-N -1 3 349.329 2.425 20 30 EEEDHM N#Cc1nc(N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)ccc1Cl ZINC001606392641 1404806577 /nfs/dbraw/zinc/80/65/77/1404806577.db2.gz ADWKCHYASZPDOQ-LBPRGKRZSA-N -1 3 337.774 2.366 20 30 EEEDHM N#Cc1nc(N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)ccc1Cl ZINC001606392641 1404806580 /nfs/dbraw/zinc/80/65/80/1404806580.db2.gz ADWKCHYASZPDOQ-LBPRGKRZSA-N -1 3 337.774 2.366 20 30 EEEDHM N#Cc1ncn(CC#Cc2ccc(C(F)(F)F)cc2)c1-c1nnn[n-]1 ZINC001606398613 1404807788 /nfs/dbraw/zinc/80/77/88/1404807788.db2.gz NYFLLGTTXUZNMT-UHFFFAOYSA-N -1 3 343.272 2.005 20 30 EEEDHM 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CC(C)(C)OC(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736283124 578193363 /nfs/dbraw/zinc/19/33/63/578193363.db2.gz ZPDXQASERRGMCI-GJZGRUSLSA-N -1 3 345.399 2.283 20 30 EEEDHM COc1ccc(C=NNc2nc3ccccc3n2C)cc1-c1nnn[n-]1 ZINC000737081792 578236973 /nfs/dbraw/zinc/23/69/73/578236973.db2.gz BWNRPAWTGFEPOG-UHFFFAOYSA-N -1 3 348.370 2.208 20 30 EEEDHM COc1ccc(C=NNc2nc3ccccc3n2C)cc1-c1nn[n-]n1 ZINC000737081792 578236974 /nfs/dbraw/zinc/23/69/74/578236974.db2.gz BWNRPAWTGFEPOG-UHFFFAOYSA-N -1 3 348.370 2.208 20 30 EEEDHM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000737237024 578245374 /nfs/dbraw/zinc/24/53/74/578245374.db2.gz ZSZDMEVGTURKJQ-UHFFFAOYSA-N -1 3 349.310 2.207 20 30 EEEDHM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000737237024 578245375 /nfs/dbraw/zinc/24/53/75/578245375.db2.gz ZSZDMEVGTURKJQ-UHFFFAOYSA-N -1 3 349.310 2.207 20 30 EEEDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737372758 578253272 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Cn1nnc2cc(C=CC(=O)c3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000737628983 578267452 /nfs/dbraw/zinc/26/74/52/578267452.db2.gz YXCQJULGRPBRSA-VURMDHGXSA-N -1 3 331.339 2.045 20 30 EEEDHM Cn1nnc2cc(C=CC(=O)c3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000737628983 578267453 /nfs/dbraw/zinc/26/74/53/578267453.db2.gz YXCQJULGRPBRSA-VURMDHGXSA-N -1 3 331.339 2.045 20 30 EEEDHM N#Cc1ccccc1OCCOc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000737727112 578268765 /nfs/dbraw/zinc/26/87/65/578268765.db2.gz FAYWMPQUPPSCKC-UHFFFAOYSA-N -1 3 325.303 2.335 20 30 EEEDHM N#Cc1ccccc1OCCOc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000737727112 578268766 /nfs/dbraw/zinc/26/87/66/578268766.db2.gz FAYWMPQUPPSCKC-UHFFFAOYSA-N -1 3 325.303 2.335 20 30 EEEDHM NC(=NOCc1ccc(-c2nnn[n-]2)cc1)c1nccc2ccccc21 ZINC000737730884 578268880 /nfs/dbraw/zinc/26/88/80/578268880.db2.gz NLNOMGCYBPYDNB-UHFFFAOYSA-N -1 3 345.366 2.252 20 30 EEEDHM NC(=NOCc1ccc(-c2nn[n-]n2)cc1)c1nccc2ccccc21 ZINC000737730884 578268881 /nfs/dbraw/zinc/26/88/81/578268881.db2.gz 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CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc2cc(C#N)ccc2[nH]1 ZINC001557763049 1342454966 /nfs/dbraw/zinc/45/49/66/1342454966.db2.gz XRJJWNDCXHANQN-UHFFFAOYSA-N -1 3 340.368 2.213 20 30 EEEDHM C[C@@](O)(CNc1c(C#N)cccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001575470382 1343802458 /nfs/dbraw/zinc/80/24/58/1343802458.db2.gz SUIDJUHJUXJXHV-QGZVFWFLSA-N -1 3 338.346 2.197 20 30 EEEDHM C[C@@](O)(CNc1c(C#N)cccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001575470382 1343802463 /nfs/dbraw/zinc/80/24/63/1343802463.db2.gz SUIDJUHJUXJXHV-QGZVFWFLSA-N -1 3 338.346 2.197 20 30 EEEDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(-c3nnn[n-]3)c(Cl)n2)C1 ZINC001576142425 1343969980 /nfs/dbraw/zinc/96/99/80/1343969980.db2.gz NKZVASPXLIPWQW-RFAUZJTJSA-N -1 3 345.794 2.117 20 30 EEEDHM CSc1ccc(CNc2cc(C)ncc2C#N)cc1-c1nnn[n-]1 ZINC001580234513 1344495448 /nfs/dbraw/zinc/49/54/48/1344495448.db2.gz BNETZAGAYUIJAF-UHFFFAOYSA-N -1 3 337.412 2.198 20 30 EEEDHM CSc1ccc(CNc2cc(C)ncc2C#N)cc1-c1nn[n-]n1 ZINC001580234513 1344495458 /nfs/dbraw/zinc/49/54/58/1344495458.db2.gz BNETZAGAYUIJAF-UHFFFAOYSA-N -1 3 337.412 2.198 20 30 EEEDHM Cc1cc(C(=O)NOc2cccc(C#N)c2)cc(C)c1-c1nnn[n-]1 ZINC001580871110 1344566436 /nfs/dbraw/zinc/56/64/36/1344566436.db2.gz CLQIROWLCLULPA-UHFFFAOYSA-N -1 3 334.339 2.079 20 30 EEEDHM Cc1cc(C(=O)NOc2cccc(C#N)c2)cc(C)c1-c1nn[n-]n1 ZINC001580871110 1344566441 /nfs/dbraw/zinc/56/64/41/1344566441.db2.gz CLQIROWLCLULPA-UHFFFAOYSA-N -1 3 334.339 2.079 20 30 EEEDHM Cc1cc(F)c(-c2nnn[n-]2)c(NCCNc2ncccc2C#N)c1 ZINC001580933107 1344573853 /nfs/dbraw/zinc/57/38/53/1344573853.db2.gz QAXHPXQGPUHOLK-UHFFFAOYSA-N -1 3 338.350 2.105 20 30 EEEDHM Cc1cc(F)c(-c2nn[n-]n2)c(NCCNc2ncccc2C#N)c1 ZINC001580933107 1344573860 /nfs/dbraw/zinc/57/38/60/1344573860.db2.gz QAXHPXQGPUHOLK-UHFFFAOYSA-N -1 3 338.350 2.105 20 30 EEEDHM Cc1cc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ncc1C#N ZINC001580981782 1344578847 /nfs/dbraw/zinc/57/88/47/1344578847.db2.gz LOKGRBJBAXCTIK-LLVKDONJSA-N -1 3 348.370 2.325 20 30 EEEDHM Cc1cc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ncc1C#N ZINC001580981782 1344578850 /nfs/dbraw/zinc/57/88/50/1344578850.db2.gz LOKGRBJBAXCTIK-LLVKDONJSA-N -1 3 348.370 2.325 20 30 EEEDHM Cc1nc(C(C)C)ncc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001581436991 1344625261 /nfs/dbraw/zinc/62/52/61/1344625261.db2.gz PGDISVOJUPTLND-UHFFFAOYSA-N -1 3 348.370 2.213 20 30 EEEDHM Cc1nc(C(C)C)ncc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001581436991 1344625264 /nfs/dbraw/zinc/62/52/64/1344625264.db2.gz PGDISVOJUPTLND-UHFFFAOYSA-N -1 3 348.370 2.213 20 30 EEEDHM N#CCc1cccc(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC001581859768 1344680012 /nfs/dbraw/zinc/68/00/12/1344680012.db2.gz UOLGXNHJPXHENH-UHFFFAOYSA-N -1 3 339.746 2.233 20 30 EEEDHM N#CCc1cccc(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC001581859768 1344680014 /nfs/dbraw/zinc/68/00/14/1344680014.db2.gz UOLGXNHJPXHENH-UHFFFAOYSA-N -1 3 339.746 2.233 20 30 EEEDHM N#Cc1cccc(NC(=O)NCCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001581875776 1344684156 /nfs/dbraw/zinc/68/41/56/1344684156.db2.gz OXKQOCJSHOINQX-UHFFFAOYSA-N -1 3 333.355 2.103 20 30 EEEDHM N#Cc1cccc(NC(=O)NCCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001581875776 1344684161 /nfs/dbraw/zinc/68/41/61/1344684161.db2.gz OXKQOCJSHOINQX-UHFFFAOYSA-N -1 3 333.355 2.103 20 30 EEEDHM C#C[C@@](C)(CC)NC(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001588325079 1348886632 /nfs/dbraw/zinc/88/66/32/1348886632.db2.gz FONRWOXKBDSENK-AWEZNQCLSA-N -1 3 348.204 2.161 20 30 EEEDHM C#C[C@@](C)(CC)NC(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001588325079 1348886637 /nfs/dbraw/zinc/88/66/37/1348886637.db2.gz FONRWOXKBDSENK-AWEZNQCLSA-N -1 3 348.204 2.161 20 30 EEEDHM C#C[C@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC001588326297 1348886415 /nfs/dbraw/zinc/88/64/15/1348886415.db2.gz JADPFNNAIOHZLQ-NSHDSACASA-N -1 3 334.383 2.026 20 30 EEEDHM C#C[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588331806 1348889090 /nfs/dbraw/zinc/88/90/90/1348889090.db2.gz DDOOKIPVOOBRFK-RISCZKNCSA-N -1 3 326.356 2.224 20 30 EEEDHM C#C[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588331806 1348889097 /nfs/dbraw/zinc/88/90/97/1348889097.db2.gz DDOOKIPVOOBRFK-RISCZKNCSA-N -1 3 326.356 2.224 20 30 EEEDHM C#CCC1(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001588334768 1348890925 /nfs/dbraw/zinc/89/09/25/1348890925.db2.gz KMMMKLBTCVDGOU-UHFFFAOYSA-N -1 3 327.413 2.021 20 30 EEEDHM C#CCC1(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001588334768 1348890931 /nfs/dbraw/zinc/89/09/31/1348890931.db2.gz KMMMKLBTCVDGOU-UHFFFAOYSA-N -1 3 327.413 2.021 20 30 EEEDHM C#CCCCCC(=O)N[C@@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588343123 1348892177 /nfs/dbraw/zinc/89/21/77/1348892177.db2.gz YJGKVZUJMDRDQB-LBPRGKRZSA-N -1 3 344.394 2.116 20 30 EEEDHM C#CCCCCC(=O)N[C@@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588343123 1348892182 /nfs/dbraw/zinc/89/21/82/1348892182.db2.gz YJGKVZUJMDRDQB-LBPRGKRZSA-N -1 3 344.394 2.116 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588443081 1348905066 /nfs/dbraw/zinc/90/50/66/1348905066.db2.gz MWSNUVQBWYTTJF-ZFWWWQNUSA-N -1 3 328.372 2.200 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588443081 1348905071 /nfs/dbraw/zinc/90/50/71/1348905071.db2.gz MWSNUVQBWYTTJF-ZFWWWQNUSA-N -1 3 328.372 2.200 20 30 EEEDHM C=C(Cl)C[C@H](Nc1nccc(C)c1-c1nnn[n-]1)C(=O)OCC ZINC001588448912 1348906107 /nfs/dbraw/zinc/90/61/07/1348906107.db2.gz BJBUALSNEHWGDQ-JTQLQIEISA-N -1 3 336.783 2.056 20 30 EEEDHM C=C(Cl)C[C@H](Nc1nccc(C)c1-c1nn[n-]n1)C(=O)OCC ZINC001588448912 1348906111 /nfs/dbraw/zinc/90/61/11/1348906111.db2.gz BJBUALSNEHWGDQ-JTQLQIEISA-N -1 3 336.783 2.056 20 30 EEEDHM C=CC(C)(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC001588480720 1348908026 /nfs/dbraw/zinc/90/80/26/1348908026.db2.gz CCFBPVLMMPZVBV-UHFFFAOYSA-N -1 3 331.376 2.043 20 30 EEEDHM C=CC(C)(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC001588480720 1348908028 /nfs/dbraw/zinc/90/80/28/1348908028.db2.gz CCFBPVLMMPZVBV-UHFFFAOYSA-N -1 3 331.376 2.043 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)N[C@H](C)CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001588491110 1348909488 /nfs/dbraw/zinc/90/94/88/1348909488.db2.gz DABSABIKDVEMOK-PXAZEXFGSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)N[C@H](C)CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001588491110 1348909492 /nfs/dbraw/zinc/90/94/92/1348909492.db2.gz DABSABIKDVEMOK-PXAZEXFGSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCC(C)(C)CNC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588539620 1348914489 /nfs/dbraw/zinc/91/44/89/1348914489.db2.gz RRKGCTQZLFVPQR-UHFFFAOYSA-N -1 3 344.419 2.277 20 30 EEEDHM C=CCC(C)(C)CNC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588539620 1348914491 /nfs/dbraw/zinc/91/44/91/1348914491.db2.gz RRKGCTQZLFVPQR-UHFFFAOYSA-N -1 3 344.419 2.277 20 30 EEEDHM C=CC[C@@H](Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)C(=O)OC ZINC001588548338 1348915788 /nfs/dbraw/zinc/91/57/88/1348915788.db2.gz CSMPFBWPLSLYQR-GFCCVEGCSA-N -1 3 331.376 2.184 20 30 EEEDHM C=CC[C@@H](Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)C(=O)OC ZINC001588548338 1348915790 /nfs/dbraw/zinc/91/57/90/1348915790.db2.gz CSMPFBWPLSLYQR-GFCCVEGCSA-N -1 3 331.376 2.184 20 30 EEEDHM C=CCC[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588582151 1348919916 /nfs/dbraw/zinc/91/99/16/1348919916.db2.gz HHDRMRGSPVJQJZ-CYBMUJFWSA-N -1 3 327.388 2.446 20 30 EEEDHM C=CCC[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588582151 1348919919 /nfs/dbraw/zinc/91/99/19/1348919919.db2.gz HHDRMRGSPVJQJZ-CYBMUJFWSA-N -1 3 327.388 2.446 20 30 EEEDHM C=CCCCN(CC)[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC001588601485 1348923100 /nfs/dbraw/zinc/92/31/00/1348923100.db2.gz NVZDZWUPZZVXNN-HNNXBMFYSA-N -1 3 329.404 2.369 20 30 EEEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001588653747 1348928072 /nfs/dbraw/zinc/92/80/72/1348928072.db2.gz XOXMBPORQWNAFH-UHFFFAOYSA-N -1 3 347.382 2.203 20 30 EEEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001588653747 1348928078 /nfs/dbraw/zinc/92/80/78/1348928078.db2.gz XOXMBPORQWNAFH-UHFFFAOYSA-N -1 3 347.382 2.203 20 30 EEEDHM C=CCOCCCNc1nc(Br)ccc1-c1nn[n-]n1 ZINC001588683253 1348929194 /nfs/dbraw/zinc/92/91/94/1348929194.db2.gz POLVQBKHJDVRDD-UHFFFAOYSA-N -1 3 339.197 2.029 20 30 EEEDHM C=CCOCCCNc1nc(Br)ccc1-c1nnn[n-]1 ZINC001588683253 1348929190 /nfs/dbraw/zinc/92/91/90/1348929190.db2.gz POLVQBKHJDVRDD-UHFFFAOYSA-N -1 3 339.197 2.029 20 30 EEEDHM C=CCn1cnnc1SCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001588717294 1348930851 /nfs/dbraw/zinc/93/08/51/1348930851.db2.gz YHCCVJHGJVTVPE-UHFFFAOYSA-N -1 3 343.416 2.205 20 30 EEEDHM CC1(C)CC[C@H](CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)OC1 ZINC001590090989 1349149353 /nfs/dbraw/zinc/14/93/53/1349149353.db2.gz RIRXVCRIDKQTGL-SNVBAGLBSA-N -1 3 345.432 2.013 20 30 EEEDHM CC1(C)CC[C@H](CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)OC1 ZINC001590090989 1349149354 /nfs/dbraw/zinc/14/93/54/1349149354.db2.gz RIRXVCRIDKQTGL-SNVBAGLBSA-N -1 3 345.432 2.013 20 30 EEEDHM CCCCCCCC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001590592705 1349375039 /nfs/dbraw/zinc/37/50/39/1349375039.db2.gz FOEJGUCRMZYPPE-ZDUSSCGKSA-N -1 3 334.424 2.036 20 30 EEEDHM CCCCCCCC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001590592705 1349375046 /nfs/dbraw/zinc/37/50/46/1349375046.db2.gz FOEJGUCRMZYPPE-ZDUSSCGKSA-N -1 3 334.424 2.036 20 30 EEEDHM CN(C)c1cc(C(=O)OCCC(C)(C)C#N)cc(-c2nnn[n-]2)c1 ZINC001591028930 1349431874 /nfs/dbraw/zinc/43/18/74/1349431874.db2.gz YWIFELBSRJWENW-UHFFFAOYSA-N -1 3 328.376 2.029 20 30 EEEDHM CN(C)c1cc(C(=O)OCCC(C)(C)C#N)cc(-c2nn[n-]n2)c1 ZINC001591028930 1349431876 /nfs/dbraw/zinc/43/18/76/1349431876.db2.gz YWIFELBSRJWENW-UHFFFAOYSA-N -1 3 328.376 2.029 20 30 EEEDHM COc1cc(CNCC2(C#N)CCCCC2)ccc1-c1nnn[n-]1 ZINC001591536082 1349500774 /nfs/dbraw/zinc/50/07/74/1349500774.db2.gz IPZBAVNQAVOORK-UHFFFAOYSA-N -1 3 326.404 2.439 20 30 EEEDHM COc1cc(CNCC2(C#N)CCCCC2)ccc1-c1nn[n-]n1 ZINC001591536082 1349500784 /nfs/dbraw/zinc/50/07/84/1349500784.db2.gz IPZBAVNQAVOORK-UHFFFAOYSA-N -1 3 326.404 2.439 20 30 EEEDHM Cc1cc(C#N)cnc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001591906563 1349555286 /nfs/dbraw/zinc/55/52/86/1349555286.db2.gz PWNABNIIYZIGCE-UHFFFAOYSA-N -1 3 339.746 2.348 20 30 EEEDHM Cc1cc(C#N)cnc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001591906563 1349555292 /nfs/dbraw/zinc/55/52/92/1349555292.db2.gz PWNABNIIYZIGCE-UHFFFAOYSA-N -1 3 339.746 2.348 20 30 EEEDHM Cc1ccc(SCC(=O)N[C@@](C)(C#N)C(C)C)c(-c2nnn[n-]2)c1 ZINC001592196568 1349602798 /nfs/dbraw/zinc/60/27/98/1349602798.db2.gz DOZBEGNHBOPGLL-INIZCTEOSA-N -1 3 344.444 2.322 20 30 EEEDHM Cc1ccc(SCC(=O)N[C@@](C)(C#N)C(C)C)c(-c2nn[n-]n2)c1 ZINC001592196568 1349602801 /nfs/dbraw/zinc/60/28/01/1349602801.db2.gz DOZBEGNHBOPGLL-INIZCTEOSA-N -1 3 344.444 2.322 20 30 EEEDHM Cn1c(C#N)ccc1C(=O)N(c1cccc(-c2nnn[n-]2)c1)C1CCC1 ZINC001592546792 1349654492 /nfs/dbraw/zinc/65/44/92/1349654492.db2.gz VLIXCLRGXANTPA-UHFFFAOYSA-N -1 3 347.382 2.276 20 30 EEEDHM Cn1c(C#N)ccc1C(=O)N(c1cccc(-c2nn[n-]n2)c1)C1CCC1 ZINC001592546792 1349654498 /nfs/dbraw/zinc/65/44/98/1349654498.db2.gz VLIXCLRGXANTPA-UHFFFAOYSA-N -1 3 347.382 2.276 20 30 EEEDHM N#Cc1ccc(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)nc1Cl ZINC001592690572 1349706071 /nfs/dbraw/zinc/70/60/71/1349706071.db2.gz IALAWYFNCLQYOT-UHFFFAOYSA-N -1 3 343.709 2.178 20 30 EEEDHM N#Cc1ccc(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)nc1Cl ZINC001592690572 1349706076 /nfs/dbraw/zinc/70/60/76/1349706076.db2.gz IALAWYFNCLQYOT-UHFFFAOYSA-N -1 3 343.709 2.178 20 30 EEEDHM C#C[C@H](CCC)NC(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001602689940 1350573795 /nfs/dbraw/zinc/57/37/95/1350573795.db2.gz XCLLMYKLVHTCGT-SECBINFHSA-N -1 3 348.204 2.161 20 30 EEEDHM C#C[C@H](CCC)NC(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001602689940 1350573798 /nfs/dbraw/zinc/57/37/98/1350573798.db2.gz XCLLMYKLVHTCGT-SECBINFHSA-N -1 3 348.204 2.161 20 30 EEEDHM C#C[C@H](CCC)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC001602688068 1350573840 /nfs/dbraw/zinc/57/38/40/1350573840.db2.gz GWJSWXNFCWYZGE-GFCCVEGCSA-N -1 3 328.376 2.189 20 30 EEEDHM C#C[C@H](CCC)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC001602688068 1350573843 /nfs/dbraw/zinc/57/38/43/1350573843.db2.gz GWJSWXNFCWYZGE-GFCCVEGCSA-N -1 3 328.376 2.189 20 30 EEEDHM C#CC[C@@H](Cc1ccccc1)Nc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC001602696756 1350574979 /nfs/dbraw/zinc/57/49/79/1350574979.db2.gz FGQJHXQTPKTCMJ-HNNXBMFYSA-N -1 3 333.399 2.320 20 30 EEEDHM C#CC[C@@H](Cc1ccccc1)Nc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC001602696756 1350574982 /nfs/dbraw/zinc/57/49/82/1350574982.db2.gz FGQJHXQTPKTCMJ-HNNXBMFYSA-N -1 3 333.399 2.320 20 30 EEEDHM C=C(Cl)C[C@H](NCc1cc(-c2nnn[n-]2)cs1)C(=O)OCC ZINC001602767407 1350584029 /nfs/dbraw/zinc/58/40/29/1350584029.db2.gz FKOYWENRLCQEEA-NSHDSACASA-N -1 3 341.824 2.092 20 30 EEEDHM C=C(Cl)C[C@H](NCc1cc(-c2nn[n-]n2)cs1)C(=O)OCC ZINC001602767407 1350584032 /nfs/dbraw/zinc/58/40/32/1350584032.db2.gz FKOYWENRLCQEEA-NSHDSACASA-N -1 3 341.824 2.092 20 30 EEEDHM C=CCC1(C(=O)NCc2ccc(C)c(-c3nnn[n-]3)c2)CCOCC1 ZINC001602817759 1350590131 /nfs/dbraw/zinc/59/01/31/1350590131.db2.gz OHKHUEVHGCCGNF-UHFFFAOYSA-N -1 3 341.415 2.164 20 30 EEEDHM C=CCC1(C(=O)NCc2ccc(C)c(-c3nn[n-]n3)c2)CCOCC1 ZINC001602817759 1350590133 /nfs/dbraw/zinc/59/01/33/1350590133.db2.gz OHKHUEVHGCCGNF-UHFFFAOYSA-N -1 3 341.415 2.164 20 30 EEEDHM C=CCCCC(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001602832574 1350593108 /nfs/dbraw/zinc/59/31/08/1350593108.db2.gz TWBUYDRFINIXOP-OCCSQVGLSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCCC(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001602832574 1350593109 /nfs/dbraw/zinc/59/31/09/1350593109.db2.gz TWBUYDRFINIXOP-OCCSQVGLSA-N -1 3 341.419 2.019 20 30 EEEDHM C[C@H]1CC(NN=C2CCc3ccc(-c4nnn[n-]4)cc32)C[C@H](C)O1 ZINC001603860275 1350785609 /nfs/dbraw/zinc/78/56/09/1350785609.db2.gz AJNYAKXMTIVSRC-QWRGUYRKSA-N -1 3 326.404 2.063 20 30 EEEDHM C[C@H]1CC(NN=C2CCc3ccc(-c4nn[n-]n4)cc32)C[C@H](C)O1 ZINC001603860275 1350785611 /nfs/dbraw/zinc/78/56/11/1350785611.db2.gz AJNYAKXMTIVSRC-QWRGUYRKSA-N -1 3 326.404 2.063 20 30 EEEDHM CCC#C[C@H](C)N1CCN(c2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001603961539 1350814192 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COc1cc(Oc2ccc(C#N)c([N+](=O)[O-])c2)ccc1-c1nn[n-]n1 ZINC001605238364 1351113548 /nfs/dbraw/zinc/11/35/48/1351113548.db2.gz JILCMIFEWYULLI-UHFFFAOYSA-N -1 3 338.283 2.447 20 30 EEEDHM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)cnc3C2=O)cc1 ZINC001605270151 1351120585 /nfs/dbraw/zinc/12/05/85/1351120585.db2.gz QRWZYJLEEIVYPP-MDWZMJQESA-N -1 3 333.351 2.483 20 30 EEEDHM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)cnc3C2=O)cc1 ZINC001605270151 1351120588 /nfs/dbraw/zinc/12/05/88/1351120588.db2.gz QRWZYJLEEIVYPP-MDWZMJQESA-N -1 3 333.351 2.483 20 30 EEEDHM Cc1cc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cs1 ZINC001605667579 1351214174 /nfs/dbraw/zinc/21/41/74/1351214174.db2.gz WGPMJNRTKKBZTB-UHFFFAOYSA-N -1 3 329.414 2.378 20 30 EEEDHM Cc1cc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cs1 ZINC001605667579 1351214175 /nfs/dbraw/zinc/21/41/75/1351214175.db2.gz WGPMJNRTKKBZTB-UHFFFAOYSA-N -1 3 329.414 2.378 20 30 EEEDHM Cc1ncsc1C=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001606103396 1351271488 /nfs/dbraw/zinc/27/14/88/1351271488.db2.gz ILVBZHOKABWNMD-SNAWJCMRSA-N -1 3 337.368 2.155 20 30 EEEDHM Cc1ncsc1C=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001606103396 1351271489 /nfs/dbraw/zinc/27/14/89/1351271489.db2.gz ILVBZHOKABWNMD-SNAWJCMRSA-N -1 3 337.368 2.155 20 30 EEEDHM N#CC1(CNc2nc3c(cc2-c2nnn[n-]2)COCC3)CCCCC1 ZINC001606343887 1351295057 /nfs/dbraw/zinc/29/50/57/1351295057.db2.gz UTPJLFZZKDFCGR-UHFFFAOYSA-N -1 3 339.403 2.220 20 30 EEEDHM N#CC1(CNc2nc3c(cc2-c2nn[n-]n2)COCC3)CCCCC1 ZINC001606343887 1351295060 /nfs/dbraw/zinc/29/50/60/1351295060.db2.gz UTPJLFZZKDFCGR-UHFFFAOYSA-N -1 3 339.403 2.220 20 30 EEEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1ncccc1OCc1ccccc1 ZINC001201898786 1368855048 /nfs/dbraw/zinc/85/50/48/1368855048.db2.gz JDBSVIPRMJVACD-ZDUSSCGKSA-N -1 3 331.397 2.241 20 30 EEEDHM Cc1ncc(CO)c(C=NCc2cc3c([nH]c2=O)CCCC3)c1[O-] ZINC000864349453 1369594799 /nfs/dbraw/zinc/59/47/99/1369594799.db2.gz YEAQTHUNPMUNFF-DJKKODMXSA-N -1 3 327.384 2.186 20 30 EEEDHM CC[C@@H](C#N)N(C)C(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001576485184 1403578868 /nfs/dbraw/zinc/57/88/68/1403578868.db2.gz ZDPOZPSELJTWGW-QMMMGPOBSA-N -1 3 349.192 2.003 20 30 EEEDHM CC[C@@H](C#N)N(C)C(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001576485184 1403578872 /nfs/dbraw/zinc/57/88/72/1403578872.db2.gz ZDPOZPSELJTWGW-QMMMGPOBSA-N -1 3 349.192 2.003 20 30 EEEDHM CCCCN(O)C(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001577512730 1403660461 /nfs/dbraw/zinc/66/04/61/1403660461.db2.gz RUDUAIFZLADRJG-UHFFFAOYSA-N -1 3 340.181 2.261 20 30 EEEDHM CCCCN(O)C(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001577512730 1403660468 /nfs/dbraw/zinc/66/04/68/1403660468.db2.gz RUDUAIFZLADRJG-UHFFFAOYSA-N -1 3 340.181 2.261 20 30 EEEDHM COC(=O)c1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C#N)n1 ZINC001579483749 1403784782 /nfs/dbraw/zinc/78/47/82/1403784782.db2.gz NFRFBKIJMGTLLZ-SNVBAGLBSA-N -1 3 349.354 2.093 20 30 EEEDHM COC(=O)c1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C#N)n1 ZINC001579483749 1403784785 /nfs/dbraw/zinc/78/47/85/1403784785.db2.gz NFRFBKIJMGTLLZ-SNVBAGLBSA-N -1 3 349.354 2.093 20 30 EEEDHM COCC1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CCCCC1 ZINC001591387235 1403908674 /nfs/dbraw/zinc/90/86/74/1403908674.db2.gz TXTQGTVPYKDROE-UHFFFAOYSA-N -1 3 340.387 2.274 20 30 EEEDHM COCC1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCCCC1 ZINC001591387235 1403908682 /nfs/dbraw/zinc/90/86/82/1403908682.db2.gz TXTQGTVPYKDROE-UHFFFAOYSA-N -1 3 340.387 2.274 20 30 EEEDHM COc1cc(OCc2ccc(OCC#N)cc2)cc(-c2nnn[n-]2)c1 ZINC001591552685 1403926087 /nfs/dbraw/zinc/92/60/87/1403926087.db2.gz HCIXILNYKSPRNX-UHFFFAOYSA-N -1 3 337.339 2.357 20 30 EEEDHM COc1cc(OCc2ccc(OCC#N)cc2)cc(-c2nn[n-]n2)c1 ZINC001591552685 1403926093 /nfs/dbraw/zinc/92/60/93/1403926093.db2.gz HCIXILNYKSPRNX-UHFFFAOYSA-N -1 3 337.339 2.357 20 30 EEEDHM N#CC[C@H]1CCCN(c2nc3cc(Cl)ccn3c2-c2nnn[n-]2)C1 ZINC001592673825 1404709975 /nfs/dbraw/zinc/70/99/75/1404709975.db2.gz PUPDXSWGPQAFHU-SNVBAGLBSA-N -1 3 342.794 2.298 20 30 EEEDHM N#CC[C@H]1CCCN(c2nc3cc(Cl)ccn3c2-c2nn[n-]n2)C1 ZINC001592673825 1404709980 /nfs/dbraw/zinc/70/99/80/1404709980.db2.gz PUPDXSWGPQAFHU-SNVBAGLBSA-N -1 3 342.794 2.298 20 30 EEEDHM N#Cc1c(F)cc(CNc2ncc(-c3nnn[n-]3)cc2F)cc1F ZINC001606356019 1404801457 /nfs/dbraw/zinc/80/14/57/1404801457.db2.gz CFLAVUJMIRSAGH-UHFFFAOYSA-N -1 3 331.261 2.163 20 30 EEEDHM N#Cc1c(F)cc(CNc2ncc(-c3nn[n-]n3)cc2F)cc1F ZINC001606356019 1404801459 /nfs/dbraw/zinc/80/14/59/1404801459.db2.gz CFLAVUJMIRSAGH-UHFFFAOYSA-N -1 3 331.261 2.163 20 30 EEEDHM N#Cc1ccc(F)c(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1 ZINC001606368669 1404804238 /nfs/dbraw/zinc/80/42/38/1404804238.db2.gz BQLAXPLGINJRBL-UHFFFAOYSA-N -1 3 339.290 2.398 20 30 EEEDHM N#Cc1ccc(F)c(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1 ZINC001606368669 1404804239 /nfs/dbraw/zinc/80/42/39/1404804239.db2.gz BQLAXPLGINJRBL-UHFFFAOYSA-N -1 3 339.290 2.398 20 30 EEEDHM COC(=O)Nc1cccc(CN=C2[N-]S(=O)(=O)c3ccccc32)c1 ZINC001771695878 1409917727 /nfs/dbraw/zinc/91/77/27/1409917727.db2.gz PDDNTRHUJRDTBJ-UHFFFAOYSA-N -1 3 345.380 2.104 20 30 EEEDHM CC(C)C#CC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001104392689 760087991 /nfs/dbraw/zinc/08/79/91/760087991.db2.gz RQAFSMQXHJGOIC-UHFFFAOYSA-N -1 3 346.387 2.196 20 30 EEEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cccc(OCc2cccs2)c1 ZINC000816754348 784240621 /nfs/dbraw/zinc/24/06/21/784240621.db2.gz BQOGONMLYQFDSL-HNNXBMFYSA-N -1 3 346.408 2.437 20 30 EEEDHM O=C1CN(N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C(=O)[N-]1 ZINC000818269233 785216637 /nfs/dbraw/zinc/21/66/37/785216637.db2.gz JSTICADMEIWFRF-UHFFFAOYSA-N -1 3 330.325 2.209 20 30 EEEDHM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2C[C@H](C)N(C3CC3)C2)o1 ZINC000820198296 785833692 /nfs/dbraw/zinc/83/36/92/785833692.db2.gz UXDDOZBAVOGAIX-VIFPVBQESA-N -1 3 330.396 2.003 20 30 EEEDHM C#CCCCOc1cccnc1NCCNC(=O)c1ccc([O-])cc1 ZINC000820630103 785995738 /nfs/dbraw/zinc/99/57/38/785995738.db2.gz RWPWZAGNCFITAK-UHFFFAOYSA-N -1 3 339.395 2.421 20 30 EEEDHM CN(C[C@@H]1CCN(C(=O)c2ccccc2[O-])C1)c1ncccc1C#N ZINC001062064031 787319826 /nfs/dbraw/zinc/31/98/26/787319826.db2.gz OFXZTAKMGPUXHE-AWEZNQCLSA-N -1 3 336.395 2.257 20 30 EEEDHM C=CCCC[C@@H](C)N[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000823894169 787985123 /nfs/dbraw/zinc/98/51/23/787985123.db2.gz JDAWTEPXOSHFKC-IUODEOHRSA-N -1 3 329.404 2.415 20 30 EEEDHM C=CCCC[C@@H](C)N[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000823894169 787985129 /nfs/dbraw/zinc/98/51/29/787985129.db2.gz JDAWTEPXOSHFKC-IUODEOHRSA-N -1 3 329.404 2.415 20 30 EEEDHM N#Cc1ccc(CN2CC(NC(=O)c3ccccc3[O-])C2)cc1F ZINC001030112135 789595605 /nfs/dbraw/zinc/59/56/05/789595605.db2.gz GVCSGVALRFMHQT-UHFFFAOYSA-N -1 3 325.343 2.017 20 30 EEEDHM C[C@@H](Cc1cccc(C#N)c1)n1c2[n-]c(=O)sc2c(=O)nc1N ZINC001171178976 789760950 /nfs/dbraw/zinc/76/09/50/789760950.db2.gz NAYGARSCKPZHFZ-QMMMGPOBSA-N -1 3 327.369 2.059 20 30 EEEDHM CNC(=O)c1cc(C#N)cc(C)c1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001144631055 789998079 /nfs/dbraw/zinc/99/80/79/789998079.db2.gz DKJDSHVWALISCN-UHFFFAOYSA-N -1 3 341.342 2.252 20 30 EEEDHM CCN(C(=O)c1ccccc1[O-])[C@@H]1CCN(c2ccncc2C#N)C1 ZINC001063079355 790183741 /nfs/dbraw/zinc/18/37/41/790183741.db2.gz VRUAALLZXNWJMF-OAHLLOKOSA-N -1 3 336.395 2.400 20 30 EEEDHM C=C[C@H](C)O[N-]C(=O)Cc1ccc(CC(=O)NO[C@@H](C)C=C)cc1 ZINC000846548608 790229591 /nfs/dbraw/zinc/22/95/91/790229591.db2.gz KSDLIAKSQODHPS-KBPBESRZSA-N -1 3 332.400 2.016 20 30 EEEDHM C=C[C@H](CC)CC(=O)NCC[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001077927546 795375213 /nfs/dbraw/zinc/37/52/13/795375213.db2.gz WWGFAYFDNDHANK-QWHCGFSZSA-N -1 3 343.431 2.185 20 30 EEEDHM Cc1nc(NCC[C@H](C)NC(=O)c2cccc3n[n-]nc32)ccc1C#N ZINC001106456952 795625642 /nfs/dbraw/zinc/62/56/42/795625642.db2.gz BCAPBVHELLFTJS-NSHDSACASA-N -1 3 349.398 2.154 20 30 EEEDHM C#CCCCC(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001066096836 799996570 /nfs/dbraw/zinc/99/65/70/799996570.db2.gz HBGTXHWJSYVJJR-HNNXBMFYSA-N -1 3 328.412 2.307 20 30 EEEDHM C[C@H](CCCCNc1nccnc1C#N)NC(=O)c1ccccc1[O-] ZINC001090046598 800283715 /nfs/dbraw/zinc/28/37/15/800283715.db2.gz GNLJFMSGWVIXAA-CYBMUJFWSA-N -1 3 339.399 2.455 20 30 EEEDHM N#Cc1ccc(OCC(=O)Nc2ncc([O-])cc2Br)cc1 ZINC001182913477 801397992 /nfs/dbraw/zinc/39/79/92/801397992.db2.gz OFALNUDBTDXMPC-UHFFFAOYSA-N -1 3 348.156 2.439 20 30 EEEDHM C[C@@H](Nc1ccc(C#N)nc1)c1ccc(CNC(=O)c2cn[n-]n2)cc1 ZINC001066416109 802298050 /nfs/dbraw/zinc/29/80/50/802298050.db2.gz KBAIQCAAHXLKNL-GFCCVEGCSA-N -1 3 347.382 2.174 20 30 EEEDHM CC(=Cc1ccc(N2CCN(C)CC2)cc1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000789829277 808212013 /nfs/dbraw/zinc/21/20/13/808212013.db2.gz JSFITEYOJYFRAK-OWBHPGMISA-N -1 3 349.438 2.262 20 30 EEEDHM Cc1ccc(C#N)c(N[C@H](C)[C@@H](C)NC(=O)c2cccc3n[n-]nc32)n1 ZINC001113192926 808397686 /nfs/dbraw/zinc/39/76/86/808397686.db2.gz CNKNROIFRHZKJC-VXGBXAGGSA-N -1 3 349.398 2.152 20 30 EEEDHM C[C@@H](CNC(=O)c1ccccc1[O-])N(C)c1ncc(C#N)cc1F ZINC001113496468 809082649 /nfs/dbraw/zinc/08/26/49/809082649.db2.gz NOXPUAFCAZBXNB-NSHDSACASA-N -1 3 328.347 2.053 20 30 EEEDHM 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Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1csc(CCC(C)C)n1 ZINC001609446803 1351980476 /nfs/dbraw/zinc/98/04/76/1351980476.db2.gz SAXQZGDAQRAKKH-UHFFFAOYSA-N -1 3 342.432 2.337 20 30 EEEDHM N#C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)c1nc(-c2ccccn2)no1 ZINC001609493415 1351998421 /nfs/dbraw/zinc/99/84/21/1351998421.db2.gz IIQKGPNBBCVTLG-ZDUSSCGKSA-N -1 3 344.338 2.162 20 30 EEEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccccn2)no1 ZINC001609493415 1351998424 /nfs/dbraw/zinc/99/84/24/1351998424.db2.gz IIQKGPNBBCVTLG-ZDUSSCGKSA-N -1 3 344.338 2.162 20 30 EEEDHM N#Cc1cccc(C2(NC(=O)c3ccc(F)c(-c4nnn[n-]4)c3)CC2)c1 ZINC001609499814 1351999652 /nfs/dbraw/zinc/99/96/52/1351999652.db2.gz LBJXQCDCYSCTHN-UHFFFAOYSA-N -1 3 348.341 2.297 20 30 EEEDHM N#Cc1cccc(C2(NC(=O)c3ccc(F)c(-c4nn[n-]n4)c3)CC2)c1 ZINC001609499814 1351999655 /nfs/dbraw/zinc/99/96/55/1351999655.db2.gz LBJXQCDCYSCTHN-UHFFFAOYSA-N -1 3 348.341 2.297 20 30 EEEDHM C=CC[C@H](NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)C(=O)[O-] ZINC001332607797 1335860907 /nfs/dbraw/zinc/86/09/07/1335860907.db2.gz SISHUKQNOHMKAP-IMJJTQAJSA-N -1 3 331.416 2.150 20 30 EEEDHM C=C(C)CCC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001335834158 1336433689 /nfs/dbraw/zinc/43/36/89/1336433689.db2.gz YOGSCIKMRISBMX-UHFFFAOYSA-N -1 3 336.866 2.152 20 30 EEEDHM CC[C@](C)(C#N)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001336323351 1336520513 /nfs/dbraw/zinc/52/05/13/1336520513.db2.gz CEDYQGBFQSPINB-CYBMUJFWSA-N -1 3 329.809 2.134 20 30 EEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC(F)(F)C[C@H]1C ZINC001339014399 1336944995 /nfs/dbraw/zinc/94/49/95/1336944995.db2.gz HEGWTIZVKZOIMW-SECBINFHSA-N -1 3 325.319 2.449 20 30 EEEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(CC(F)F)C1CCC1 ZINC001339605906 1337036669 /nfs/dbraw/zinc/03/66/69/1337036669.db2.gz BFXPNJJTJYQODS-UHFFFAOYSA-N -1 3 336.346 2.251 20 30 EEEDHM C=CCC[C@@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC001347521749 1337512446 /nfs/dbraw/zinc/51/24/46/1337512446.db2.gz KNZSJGVKIJOVOD-CYBMUJFWSA-N -1 3 340.420 2.305 20 30 EEEDHM C[C@H](c1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)cc1)C(F)(F)F ZINC000848132204 1338528649 /nfs/dbraw/zinc/52/86/49/1338528649.db2.gz OVBUVQKPPKGGRO-SKDRFNHKSA-N -1 3 330.306 2.462 20 30 EEEDHM CN(C(=O)c1cc(F)c(C#N)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001578911853 1344318207 /nfs/dbraw/zinc/31/82/07/1344318207.db2.gz MUGICBCAXMODDL-UHFFFAOYSA-N -1 3 340.293 2.293 20 30 EEEDHM CN(C(=O)c1cc(F)c(C#N)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001578911853 1344318208 /nfs/dbraw/zinc/31/82/08/1344318208.db2.gz MUGICBCAXMODDL-UHFFFAOYSA-N -1 3 340.293 2.293 20 30 EEEDHM Cn1nc(CNc2c(C#N)cccc2-c2nnn[n-]2)cc1C(F)(F)F ZINC001581824152 1344673604 /nfs/dbraw/zinc/67/36/04/1344673604.db2.gz DQOXIWRBKIGZIG-UHFFFAOYSA-N -1 3 348.292 2.103 20 30 EEEDHM Cn1nc(CNc2c(C#N)cccc2-c2nn[n-]n2)cc1C(F)(F)F ZINC001581824152 1344673610 /nfs/dbraw/zinc/67/36/10/1344673610.db2.gz DQOXIWRBKIGZIG-UHFFFAOYSA-N -1 3 348.292 2.103 20 30 EEEDHM N#CC[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC001581857701 1344678669 /nfs/dbraw/zinc/67/86/69/1344678669.db2.gz GBPWVLSXFWQLNF-CYBMUJFWSA-N -1 3 338.396 2.242 20 30 EEEDHM N#Cc1ccc(CNC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC001581870204 1344683135 /nfs/dbraw/zinc/68/31/35/1344683135.db2.gz WAPCMCKBUVVFJL-UHFFFAOYSA-N -1 3 325.357 2.122 20 30 EEEDHM N#Cc1ccc(CNC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC001581870204 1344683137 /nfs/dbraw/zinc/68/31/37/1344683137.db2.gz WAPCMCKBUVVFJL-UHFFFAOYSA-N -1 3 325.357 2.122 20 30 EEEDHM C#CC1(F)CN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C1 ZINC001588328273 1348888705 /nfs/dbraw/zinc/88/87/05/1348888705.db2.gz CQOXQQMMOYIFNF-UHFFFAOYSA-N -1 3 347.353 2.331 20 30 EEEDHM C#CC1(F)CN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C1 ZINC001588328273 1348888708 /nfs/dbraw/zinc/88/87/08/1348888708.db2.gz CQOXQQMMOYIFNF-UHFFFAOYSA-N -1 3 347.353 2.331 20 30 EEEDHM C#C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1F ZINC001588329761 1348889203 /nfs/dbraw/zinc/88/92/03/1348889203.db2.gz NAGGUYKANSENTR-GFCCVEGCSA-N -1 3 344.737 2.092 20 30 EEEDHM C#C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1F ZINC001588329761 1348889209 /nfs/dbraw/zinc/88/92/09/1348889209.db2.gz NAGGUYKANSENTR-GFCCVEGCSA-N -1 3 344.737 2.092 20 30 EEEDHM C#CCC(C)(C)C(=O)N1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001588331181 1348889384 /nfs/dbraw/zinc/88/93/84/1348889384.db2.gz PEECEGMMSUUOBD-UHFFFAOYSA-N -1 3 338.415 2.017 20 30 EEEDHM C#CCC(C)(C)C(=O)N1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588331181 1348889394 /nfs/dbraw/zinc/88/93/94/1348889394.db2.gz PEECEGMMSUUOBD-UHFFFAOYSA-N -1 3 338.415 2.017 20 30 EEEDHM C#CCN(C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1)C1CCCC1 ZINC001588348334 1348893570 /nfs/dbraw/zinc/89/35/70/1348893570.db2.gz QRBFFYLSSZKRFH-UHFFFAOYSA-N -1 3 342.378 2.093 20 30 EEEDHM C#CCN(C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1)C1CCCC1 ZINC001588348334 1348893575 /nfs/dbraw/zinc/89/35/75/1348893575.db2.gz QRBFFYLSSZKRFH-UHFFFAOYSA-N -1 3 342.378 2.093 20 30 EEEDHM C#Cc1cccc(CNC(=O)Nc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC001588374695 1348897801 /nfs/dbraw/zinc/89/78/01/1348897801.db2.gz JJSQGHPGHSDQQW-UHFFFAOYSA-N -1 3 348.366 2.178 20 30 EEEDHM C#Cc1cccc(CNC(=O)Nc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC001588374695 1348897809 /nfs/dbraw/zinc/89/78/09/1348897809.db2.gz JJSQGHPGHSDQQW-UHFFFAOYSA-N -1 3 348.366 2.178 20 30 EEEDHM C=C(C)CN(C)C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588425399 1348904185 /nfs/dbraw/zinc/90/41/85/1348904185.db2.gz DCNRXQXSBLCXMP-HNNXBMFYSA-N -1 3 326.404 2.462 20 30 EEEDHM C=C(C)CN(C)C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588425399 1348904191 /nfs/dbraw/zinc/90/41/91/1348904191.db2.gz DCNRXQXSBLCXMP-HNNXBMFYSA-N -1 3 326.404 2.462 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588443142 1348905326 /nfs/dbraw/zinc/90/53/26/1348905326.db2.gz NPUVPHIXJNSOMV-GWCFXTLKSA-N -1 3 333.779 2.440 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588443142 1348905330 /nfs/dbraw/zinc/90/53/30/1348905330.db2.gz NPUVPHIXJNSOMV-GWCFXTLKSA-N -1 3 333.779 2.440 20 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1348905414 /nfs/dbraw/zinc/90/54/14/1348905414.db2.gz TUYRPTMOHQUMIW-AAEUAGOBSA-N -1 3 333.779 2.440 20 30 EEEDHM C=CCC1(C(=O)OCCc2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC001588556272 1348915795 /nfs/dbraw/zinc/91/57/95/1348915795.db2.gz HWZFKSUFSZLLKB-UHFFFAOYSA-N -1 3 342.399 2.325 20 30 EEEDHM C=CCC1(C(=O)OCCc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001588556272 1348915796 /nfs/dbraw/zinc/91/57/96/1348915796.db2.gz HWZFKSUFSZLLKB-UHFFFAOYSA-N -1 3 342.399 2.325 20 30 EEEDHM C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001588545940 1348916003 /nfs/dbraw/zinc/91/60/03/1348916003.db2.gz SDVBFWRLADOISS-CQSZACIVSA-N -1 3 336.399 2.420 20 30 EEEDHM C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001588545940 1348916007 /nfs/dbraw/zinc/91/60/07/1348916007.db2.gz SDVBFWRLADOISS-CQSZACIVSA-N -1 3 336.399 2.420 20 30 EEEDHM C=CCCCCCN[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC001588596460 1348923296 /nfs/dbraw/zinc/92/32/96/1348923296.db2.gz QXBQGGJALLVYSV-HNNXBMFYSA-N -1 3 329.404 2.417 20 30 EEEDHM C=CCCCCCN[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC001588596460 1348923299 /nfs/dbraw/zinc/92/32/99/1348923299.db2.gz QXBQGGJALLVYSV-HNNXBMFYSA-N -1 3 329.404 2.417 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(C)n1 ZINC001588648181 1348926263 /nfs/dbraw/zinc/92/62/63/1348926263.db2.gz KHBRVAMHGLOPIP-UHFFFAOYSA-N -1 3 334.383 2.399 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(C)n1 ZINC001588648181 1348926267 /nfs/dbraw/zinc/92/62/67/1348926267.db2.gz KHBRVAMHGLOPIP-UHFFFAOYSA-N -1 3 334.383 2.399 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)C(=O)N(CC)CC ZINC001588647965 1348926403 /nfs/dbraw/zinc/92/64/03/1348926403.db2.gz FCBWCWSKQNCWCH-AWEZNQCLSA-N -1 3 342.447 2.112 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccccn1 ZINC001588649668 1348927087 /nfs/dbraw/zinc/92/70/87/1348927087.db2.gz ZDNQMFKUXMMRTO-UHFFFAOYSA-N -1 3 335.371 2.482 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccccn1 ZINC001588649668 1348927091 /nfs/dbraw/zinc/92/70/91/1348927091.db2.gz ZDNQMFKUXMMRTO-UHFFFAOYSA-N -1 3 335.371 2.482 20 30 EEEDHM C=CCOCCCNc1c(-c2nnn[n-]2)cnc2c(C)cc(F)cc21 ZINC001588683200 1348929090 /nfs/dbraw/zinc/92/90/90/1348929090.db2.gz ZEUDIRCUTVIUEK-UHFFFAOYSA-N -1 3 342.378 2.289 20 30 EEEDHM C=CCOCCCNc1c(-c2nn[n-]n2)cnc2c(C)cc(F)cc21 ZINC001588683200 1348929095 /nfs/dbraw/zinc/92/90/95/1348929095.db2.gz ZEUDIRCUTVIUEK-UHFFFAOYSA-N -1 3 342.378 2.289 20 30 EEEDHM C=CCn1c(CC2CC2)nnc1N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001588703067 1348930220 /nfs/dbraw/zinc/93/02/20/1348930220.db2.gz IGAJOUNQSFIQFZ-UHFFFAOYSA-N -1 3 348.414 2.117 20 30 EEEDHM C=CCn1c(CC2CC2)nnc1N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001588703067 1348930221 /nfs/dbraw/zinc/93/02/21/1348930221.db2.gz IGAJOUNQSFIQFZ-UHFFFAOYSA-N -1 3 348.414 2.117 20 30 EEEDHM CC(C)(C(=O)O[C@@H](CC#N)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589059567 1348955712 /nfs/dbraw/zinc/95/57/12/1348955712.db2.gz YQLMYNWENDARHJ-AWEZNQCLSA-N -1 3 325.372 2.380 20 30 EEEDHM CC(C)(C(=O)O[C@@H](CC#N)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589059567 1348955714 /nfs/dbraw/zinc/95/57/14/1348955714.db2.gz YQLMYNWENDARHJ-AWEZNQCLSA-N -1 3 325.372 2.380 20 30 EEEDHM CC(C)(C)c1csc(NC(=O)N2CC(C#N)C2)c1-c1nnn[n-]1 ZINC001589236935 1348973792 /nfs/dbraw/zinc/97/37/92/1348973792.db2.gz FQMPMMIUFHCQTH-UHFFFAOYSA-N -1 3 331.405 2.213 20 30 EEEDHM CC(C)(C)c1csc(NC(=O)N2CC(C#N)C2)c1-c1nn[n-]n1 ZINC001589236935 1348973794 /nfs/dbraw/zinc/97/37/94/1348973794.db2.gz FQMPMMIUFHCQTH-UHFFFAOYSA-N -1 3 331.405 2.213 20 30 EEEDHM CC(C)C[C@@H](C#N)NC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589536628 1349001698 /nfs/dbraw/zinc/00/16/98/1349001698.db2.gz AHNNRMVDNHPVIY-DOMZBBRYSA-N -1 3 326.404 2.100 20 30 EEEDHM CC(C)C[C@@H](C#N)NC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589536628 1349001702 /nfs/dbraw/zinc/00/17/02/1349001702.db2.gz AHNNRMVDNHPVIY-DOMZBBRYSA-N -1 3 326.404 2.100 20 30 EEEDHM CC(C)Cn1nccc1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001589671434 1349019455 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N#Cc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)co1 ZINC001581864633 1344681247 /nfs/dbraw/zinc/68/12/47/1344681247.db2.gz FWDSZQZGXUIYDP-UHFFFAOYSA-N -1 3 326.341 2.134 20 30 EEEDHM N#Cc1ccc2c(c1)N(C(=O)c1cc(-c3nnn[n-]3)ccc1F)CC2 ZINC001581874608 1344684316 /nfs/dbraw/zinc/68/43/16/1344684316.db2.gz YYAZLLPFDXSQPE-UHFFFAOYSA-N -1 3 334.314 2.080 20 30 EEEDHM N#Cc1ccc2c(c1)N(C(=O)c1cc(-c3nn[n-]n3)ccc1F)CC2 ZINC001581874608 1344684320 /nfs/dbraw/zinc/68/43/20/1344684320.db2.gz YYAZLLPFDXSQPE-UHFFFAOYSA-N -1 3 334.314 2.080 20 30 EEEDHM C#CCN(CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)C(C)(C)C ZINC001588350453 1348893337 /nfs/dbraw/zinc/89/33/37/1348893337.db2.gz XFFJMIHTVISCMA-UHFFFAOYSA-N -1 3 346.460 2.217 20 30 EEEDHM C#CCN(CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)C(C)(C)C ZINC001588350453 1348893341 /nfs/dbraw/zinc/89/33/41/1348893341.db2.gz XFFJMIHTVISCMA-UHFFFAOYSA-N -1 3 346.460 2.217 20 30 EEEDHM C#CCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588354475 1348894810 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C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1scc(C)c1-c1nnn[n-]1 ZINC001588401608 1348901377 /nfs/dbraw/zinc/90/13/77/1348901377.db2.gz VRNXMZXYMDBSCU-JQWIXIFHSA-N -1 3 348.432 2.339 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1scc(C)c1-c1nn[n-]n1 ZINC001588401608 1348901381 /nfs/dbraw/zinc/90/13/81/1348901381.db2.gz VRNXMZXYMDBSCU-JQWIXIFHSA-N -1 3 348.432 2.339 20 30 EEEDHM C=C(C)CCC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588419793 1348903851 /nfs/dbraw/zinc/90/38/51/1348903851.db2.gz TYFOALQHNXGJOO-GFCCVEGCSA-N -1 3 344.394 2.057 20 30 EEEDHM C=C(C)CCC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588419793 1348903855 /nfs/dbraw/zinc/90/38/55/1348903855.db2.gz TYFOALQHNXGJOO-GFCCVEGCSA-N -1 3 344.394 2.057 20 30 EEEDHM C=C(CO)C(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001588444141 1348906010 /nfs/dbraw/zinc/90/60/10/1348906010.db2.gz MNLQNLZJAGMMMQ-UHFFFAOYSA-N -1 3 337.339 2.146 20 30 EEEDHM C=C(CO)C(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001588444141 1348906013 /nfs/dbraw/zinc/90/60/13/1348906013.db2.gz MNLQNLZJAGMMMQ-UHFFFAOYSA-N -1 3 337.339 2.146 20 30 EEEDHM C=CC(C)(C)C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001588475453 1348907460 /nfs/dbraw/zinc/90/74/60/1348907460.db2.gz OSNFKDFQYAPDDY-UHFFFAOYSA-N -1 3 340.431 2.164 20 30 EEEDHM C=CC(C)(C)C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001588475453 1348907462 /nfs/dbraw/zinc/90/74/62/1348907462.db2.gz OSNFKDFQYAPDDY-UHFFFAOYSA-N -1 3 340.431 2.164 20 30 EEEDHM C=CC(C)(C)C(=O)NCC[C@@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588478224 1348908065 /nfs/dbraw/zinc/90/80/65/1348908065.db2.gz YZLQUVLZRZTQKT-SECBINFHSA-N -1 3 349.464 2.151 20 30 EEEDHM C=C[C@@H](CC(=O)NCc1cncc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588519111 1348912879 /nfs/dbraw/zinc/91/28/79/1348912879.db2.gz SGEQFYQZGCDFAO-AWEZNQCLSA-N -1 3 334.383 2.238 20 30 EEEDHM C=C[C@@H](CC(=O)NCc1cncc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588519111 1348912883 /nfs/dbraw/zinc/91/28/83/1348912883.db2.gz SGEQFYQZGCDFAO-AWEZNQCLSA-N -1 3 334.383 2.238 20 30 EEEDHM C=CCCCN(C)C(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001588601248 1348923424 /nfs/dbraw/zinc/92/34/24/1348923424.db2.gz GGQKLIFNDLATOC-UHFFFAOYSA-N -1 3 337.387 2.091 20 30 EEEDHM C=CCCCN(C)C(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001588601248 1348923427 /nfs/dbraw/zinc/92/34/27/1348923427.db2.gz GGQKLIFNDLATOC-UHFFFAOYSA-N -1 3 337.387 2.091 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1scnc1C ZINC001588648601 1348927035 /nfs/dbraw/zinc/92/70/35/1348927035.db2.gz MUQKDDXSVNZBRL-UHFFFAOYSA-N -1 3 340.412 2.460 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1scnc1C ZINC001588648601 1348927038 /nfs/dbraw/zinc/92/70/38/1348927038.db2.gz MUQKDDXSVNZBRL-UHFFFAOYSA-N -1 3 340.412 2.460 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cncc(OC)c1 ZINC001588653623 1348927319 /nfs/dbraw/zinc/92/73/19/1348927319.db2.gz QKAPYHRDUMPHAL-UHFFFAOYSA-N -1 3 336.399 2.459 20 30 EEEDHM C=CCO[C@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC001588666099 1348928209 /nfs/dbraw/zinc/92/82/09/1348928209.db2.gz ZWYFYGWXUTVXGV-VIFPVBQESA-N -1 3 340.309 2.062 20 30 EEEDHM C=CCO[C@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC001588666099 1348928212 /nfs/dbraw/zinc/92/82/12/1348928212.db2.gz ZWYFYGWXUTVXGV-VIFPVBQESA-N -1 3 340.309 2.062 20 30 EEEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cn(-c2ccccc2)nn1 ZINC001588780484 1348934831 /nfs/dbraw/zinc/93/48/31/1348934831.db2.gz BQFDBWRDEVBMSM-UHFFFAOYSA-N -1 3 345.370 2.284 20 30 EEEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cn(-c2ccccc2)nn1 ZINC001588780484 1348934833 /nfs/dbraw/zinc/93/48/33/1348934833.db2.gz BQFDBWRDEVBMSM-UHFFFAOYSA-N -1 3 345.370 2.284 20 30 EEEDHM CC(=O)c1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cs1 ZINC001588902090 1348943885 /nfs/dbraw/zinc/94/38/85/1348943885.db2.gz SHYWWXIUSRJPQI-UHFFFAOYSA-N -1 3 338.352 2.255 20 30 EEEDHM CC(=O)c1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cs1 ZINC001588902090 1348943888 /nfs/dbraw/zinc/94/38/88/1348943888.db2.gz SHYWWXIUSRJPQI-UHFFFAOYSA-N -1 3 338.352 2.255 20 30 EEEDHM CC(C)(C#N)CCOC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589033213 1348954348 /nfs/dbraw/zinc/95/43/48/1348954348.db2.gz AMJBFSQKRSAKFU-AWEZNQCLSA-N -1 3 338.371 2.032 20 30 EEEDHM CC(C)(C#N)CCOC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589033213 1348954352 /nfs/dbraw/zinc/95/43/52/1348954352.db2.gz AMJBFSQKRSAKFU-AWEZNQCLSA-N -1 3 338.371 2.032 20 30 EEEDHM CC(C)(C)[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001589085853 1348957647 /nfs/dbraw/zinc/95/76/47/1348957647.db2.gz KPCNAYMFUOUKDR-IYOUNJFTSA-N -1 3 338.415 2.415 20 30 EEEDHM CC(C)(C)[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001589085853 1348957648 /nfs/dbraw/zinc/95/76/48/1348957648.db2.gz KPCNAYMFUOUKDR-IYOUNJFTSA-N -1 3 338.415 2.415 20 30 EEEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC[C@@H](O)CC(C)(C)C#N ZINC001589754356 1349030475 /nfs/dbraw/zinc/03/04/75/1349030475.db2.gz KVGXPWHRCWMDHN-ZDUSSCGKSA-N -1 3 344.419 2.367 20 30 EEEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC[C@@H](O)CC(C)(C)C#N ZINC001589754356 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ZINC001591906391 1349555907 /nfs/dbraw/zinc/55/59/07/1349555907.db2.gz GLKSWLVZVSEULR-LLVKDONJSA-N -1 3 334.339 2.360 20 30 EEEDHM Cc1cc(C#N)cnc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001591906391 1349555913 /nfs/dbraw/zinc/55/59/13/1349555913.db2.gz GLKSWLVZVSEULR-LLVKDONJSA-N -1 3 334.339 2.360 20 30 EEEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)Cc1ccc(C#N)cc1 ZINC001591984194 1349576523 /nfs/dbraw/zinc/57/65/23/1349576523.db2.gz IGKIEIPJQWAYBQ-UHFFFAOYSA-N -1 3 336.330 2.367 20 30 EEEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(C#N)cc1 ZINC001591984194 1349576530 /nfs/dbraw/zinc/57/65/30/1349576530.db2.gz IGKIEIPJQWAYBQ-UHFFFAOYSA-N -1 3 336.330 2.367 20 30 EEEDHM Cn1c(C(=O)OCc2ccc(C3(C#N)CC3)cc2)ccc1-c1nnn[n-]1 ZINC001592550606 1349656157 /nfs/dbraw/zinc/65/61/57/1349656157.db2.gz IFINLAFWLWNKOJ-UHFFFAOYSA-N -1 3 348.366 2.117 20 30 EEEDHM Cn1c(C(=O)OCc2ccc(C3(C#N)CC3)cc2)ccc1-c1nn[n-]n1 ZINC001592550606 1349656163 /nfs/dbraw/zinc/65/61/63/1349656163.db2.gz IFINLAFWLWNKOJ-UHFFFAOYSA-N -1 3 348.366 2.117 20 30 EEEDHM Cn1nc2c(c1C=NNc1ccc(-c3nnn[n-]3)c(Cl)c1)CCC2 ZINC001592597034 1349667036 /nfs/dbraw/zinc/66/70/36/1349667036.db2.gz QWDDQAMAKXIUGQ-UHFFFAOYSA-N -1 3 342.794 2.188 20 30 EEEDHM Cn1nc2c(c1C=NNc1ccc(-c3nn[n-]n3)c(Cl)c1)CCC2 ZINC001592597034 1349667040 /nfs/dbraw/zinc/66/70/40/1349667040.db2.gz QWDDQAMAKXIUGQ-UHFFFAOYSA-N -1 3 342.794 2.188 20 30 EEEDHM N#CC1(CS(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC001592670556 1349704010 /nfs/dbraw/zinc/70/40/10/1349704010.db2.gz FXKFSSSDHNRPMR-UHFFFAOYSA-N -1 3 347.400 2.049 20 30 EEEDHM N#CC1(CS(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC001592670556 1349704013 /nfs/dbraw/zinc/70/40/13/1349704013.db2.gz FXKFSSSDHNRPMR-UHFFFAOYSA-N -1 3 347.400 2.049 20 30 EEEDHM N#Cc1ccc(C(F)(F)F)nc1NCc1ccc(-c2nnn[n-]2)cn1 ZINC001592691384 1349706198 /nfs/dbraw/zinc/70/61/98/1349706198.db2.gz SREJHXMSPMMTKG-UHFFFAOYSA-N -1 3 346.276 2.159 20 30 EEEDHM N#Cc1ccc(C(F)(F)F)nc1NCc1ccc(-c2nn[n-]n2)cn1 ZINC001592691384 1349706202 /nfs/dbraw/zinc/70/62/02/1349706202.db2.gz SREJHXMSPMMTKG-UHFFFAOYSA-N -1 3 346.276 2.159 20 30 EEEDHM C#CC[C@H]1CCCN(C(=O)C2(c3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC001602700442 1350575692 /nfs/dbraw/zinc/57/56/92/1350575692.db2.gz VVOIRKNUQKDAIZ-AWEZNQCLSA-N -1 3 335.411 2.160 20 30 EEEDHM C#CC[C@H]1CCCN(C(=O)C2(c3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC001602700442 1350575694 /nfs/dbraw/zinc/57/56/94/1350575694.db2.gz VVOIRKNUQKDAIZ-AWEZNQCLSA-N -1 3 335.411 2.160 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001602752890 1350581422 /nfs/dbraw/zinc/58/14/22/1350581422.db2.gz IJULRZPZWYAVDQ-HZMBPMFUSA-N -1 3 330.348 2.168 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001602752890 1350581425 /nfs/dbraw/zinc/58/14/25/1350581425.db2.gz IJULRZPZWYAVDQ-HZMBPMFUSA-N -1 3 330.348 2.168 20 30 EEEDHM C=C(CSc1nc2c(c(C)c1-c1nnn[n-]1)CCC2)C(=O)OCC ZINC001602767296 1350583912 /nfs/dbraw/zinc/58/39/12/1350583912.db2.gz DAHNLZDEGQTRBU-UHFFFAOYSA-N -1 3 345.428 2.270 20 30 EEEDHM C=C(CSc1nc2c(c(C)c1-c1nn[n-]n1)CCC2)C(=O)OCC ZINC001602767296 1350583916 /nfs/dbraw/zinc/58/39/16/1350583916.db2.gz DAHNLZDEGQTRBU-UHFFFAOYSA-N -1 3 345.428 2.270 20 30 EEEDHM C=CC[C@H](CC)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001602811013 1350589399 /nfs/dbraw/zinc/58/93/99/1350589399.db2.gz CSIBBMGLQURSTR-JTQLQIEISA-N -1 3 341.824 2.153 20 30 EEEDHM C=CC[C@H](CC)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001602811013 1350589400 /nfs/dbraw/zinc/58/94/00/1350589400.db2.gz CSIBBMGLQURSTR-JTQLQIEISA-N -1 3 341.824 2.153 20 30 EEEDHM C=CC[C@H](CC)NC(=O)NCc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001602812225 1350590159 /nfs/dbraw/zinc/59/01/59/1350590159.db2.gz YCKMDKGUEVOTSP-LBPRGKRZSA-N -1 3 330.392 2.029 20 30 EEEDHM C=CC[C@H](CC)NC(=O)NCc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001602812225 1350590163 /nfs/dbraw/zinc/59/01/63/1350590163.db2.gz YCKMDKGUEVOTSP-LBPRGKRZSA-N -1 3 330.392 2.029 20 30 EEEDHM C=CCC[C@@H]1CCCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001602833331 1350593521 /nfs/dbraw/zinc/59/35/21/1350593521.db2.gz JZQDIWUHCNEIHR-CQSZACIVSA-N -1 3 327.388 2.203 20 30 EEEDHM C=CCC[C@@H]1CCCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001602833331 1350593526 /nfs/dbraw/zinc/59/35/26/1350593526.db2.gz JZQDIWUHCNEIHR-CQSZACIVSA-N -1 3 327.388 2.203 20 30 EEEDHM C=CCN(CC(F)(F)F)C(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001602850904 1350595946 /nfs/dbraw/zinc/59/59/46/1350595946.db2.gz ZEHMHYLGOXXSEM-UHFFFAOYSA-N -1 3 341.293 2.066 20 30 EEEDHM C=CCN(CC(F)(F)F)C(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001602850904 1350595948 /nfs/dbraw/zinc/59/59/48/1350595948.db2.gz ZEHMHYLGOXXSEM-UHFFFAOYSA-N -1 3 341.293 2.066 20 30 EEEDHM CC(C)c1c[nH]c(C=C2CCc3cc(-c4nnn[n-]4)cnc3C2=O)n1 ZINC001603391518 1350699464 /nfs/dbraw/zinc/69/94/64/1350699464.db2.gz SHLCWTCMGAWSAF-WDZFZDKYSA-N -1 3 335.371 2.321 20 30 EEEDHM CC(C)c1c[nH]c(C=C2CCc3cc(-c4nn[n-]n4)cnc3C2=O)n1 ZINC001603391518 1350699469 /nfs/dbraw/zinc/69/94/69/1350699469.db2.gz SHLCWTCMGAWSAF-WDZFZDKYSA-N -1 3 335.371 2.321 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1c2nc[nH]c2ccc1F ZINC001606379623 1351298698 /nfs/dbraw/zinc/29/86/98/1351298698.db2.gz GOWQIBPFMDYZAU-UHFFFAOYSA-N -1 3 334.318 2.366 20 30 EEEDHM N#Cc1ccc(OCCOC(=O)c2cscc2-c2nnn[n-]2)cc1 ZINC001606379255 1351298893 /nfs/dbraw/zinc/29/88/93/1351298893.db2.gz LNFMLKWDMBQMSV-UHFFFAOYSA-N -1 3 341.352 2.036 20 30 EEEDHM N#Cc1ccc(OCCOC(=O)c2cscc2-c2nn[n-]n2)cc1 ZINC001606379255 1351298896 /nfs/dbraw/zinc/29/88/96/1351298896.db2.gz LNFMLKWDMBQMSV-UHFFFAOYSA-N -1 3 341.352 2.036 20 30 EEEDHM O=C(C=Cc1cnn(CC(F)F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC001606487029 1351310732 /nfs/dbraw/zinc/31/07/32/1351310732.db2.gz CVQAGDMKLFJOFW-DAFODLJHSA-N -1 3 348.288 2.364 20 30 EEEDHM O=C(C=Cc1cnn(CC(F)F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC001606487029 1351310733 /nfs/dbraw/zinc/31/07/33/1351310733.db2.gz CVQAGDMKLFJOFW-DAFODLJHSA-N -1 3 348.288 2.364 20 30 EEEDHM N#CC(C(=O)Nc1ccccc1Cl)C(=O)c1cncc(C(=O)[O-])c1 ZINC001608170078 1351639488 /nfs/dbraw/zinc/63/94/88/1351639488.db2.gz IRIDUIHVAKYDKN-LLVKDONJSA-N -1 3 343.726 2.394 20 30 EEEDHM O=C(CCCCC(=O)c1ccc(F)cc1)N[C@@H]1CCCN([O-])C1=O ZINC000848134209 1373086095 /nfs/dbraw/zinc/08/60/95/1373086095.db2.gz PMJHDIDLEVOUME-CQSZACIVSA-N -1 3 336.363 2.065 20 30 EEEDHM COc1cccc([C@H](C)CCCC(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000848134653 1373086320 /nfs/dbraw/zinc/08/63/20/1373086320.db2.gz XGXYVDOETCOAHF-CJNGLKHVSA-N -1 3 334.416 2.465 20 30 EEEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1C[C@@H](C)O[C@@H](CC)C1 ZINC001356381158 1373198243 /nfs/dbraw/zinc/19/82/43/1373198243.db2.gz KRZPMNIXYVPASX-OLZOCXBDSA-N -1 3 344.419 2.021 20 30 EEEDHM N#CC1(CC(=O)OCC(=O)[N-]C(=O)c2cccs2)CCCCC1 ZINC000849905770 1373270212 /nfs/dbraw/zinc/27/02/12/1373270212.db2.gz XLQAVVKXGSSTAQ-UHFFFAOYSA-N -1 3 334.397 2.412 20 30 EEEDHM Cc1[nH]c(C#N)cc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1NC1CC1 ZINC001580470047 1403860335 /nfs/dbraw/zinc/86/03/35/1403860335.db2.gz ALWGOZYJIUMNTK-UHFFFAOYSA-N -1 3 348.370 2.202 20 30 EEEDHM N#CCCCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC001592674680 1404712578 /nfs/dbraw/zinc/71/25/78/1404712578.db2.gz JHHRYPJIWPBEJZ-UHFFFAOYSA-N -1 3 335.711 2.061 20 30 EEEDHM N#CCCCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC001592674680 1404712582 /nfs/dbraw/zinc/71/25/82/1404712582.db2.gz JHHRYPJIWPBEJZ-UHFFFAOYSA-N -1 3 335.711 2.061 20 30 EEEDHM N#Cc1cccc(C(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001592700478 1404717677 /nfs/dbraw/zinc/71/76/77/1404717677.db2.gz IALDPQBELNOBBM-UHFFFAOYSA-N -1 3 349.350 2.364 20 30 EEEDHM N#Cc1c(COC(=O)c2ccc(-c3nnn[n-]3)cc2)cn2ccccc12 ZINC001606356112 1404801739 /nfs/dbraw/zinc/80/17/39/1404801739.db2.gz JCAZMHOQNJKYKK-UHFFFAOYSA-N -1 3 344.334 2.348 20 30 EEEDHM N#Cc1c(COC(=O)c2ccc(-c3nn[n-]n3)cc2)cn2ccccc12 ZINC001606356112 1404801743 /nfs/dbraw/zinc/80/17/43/1404801743.db2.gz JCAZMHOQNJKYKK-UHFFFAOYSA-N -1 3 344.334 2.348 20 30 EEEDHM N#Cc1ccc(CCNC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC001606367806 1404804173 /nfs/dbraw/zinc/80/41/73/1404804173.db2.gz NUDHGWUWKLHIFT-KTKRTIGZSA-N -1 3 344.378 2.110 20 30 EEEDHM N#Cc1ccc(CCNC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC001606367806 1404804178 /nfs/dbraw/zinc/80/41/78/1404804178.db2.gz NUDHGWUWKLHIFT-KTKRTIGZSA-N -1 3 344.378 2.110 20 30 EEEDHM C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccc([S@@](C)=O)cc1 ZINC001771633768 1409896271 /nfs/dbraw/zinc/89/62/71/1409896271.db2.gz MUKDERJRDQPBFW-KPWVOAKYSA-N -1 3 348.449 2.224 20 30 EEEDHM N#Cc1ccc(N2CCCC[C@H](NC(=O)c3ccccc3[O-])C2)nc1 ZINC001063163574 790285717 /nfs/dbraw/zinc/28/57/17/790285717.db2.gz JORORKHNORIRRM-HNNXBMFYSA-N -1 3 336.395 2.448 20 30 EEEDHM CC(C)C[C@H](CNc1cnc(C#N)cn1)NC(=O)c1ccccc1[O-] ZINC001104898138 765527202 /nfs/dbraw/zinc/52/72/02/765527202.db2.gz RDDWIQDRIKKCQZ-CYBMUJFWSA-N -1 3 339.399 2.310 20 30 EEEDHM CC(C)(CC(=O)N[C@@H]1CCCN([O-])C1=O)CC(=O)c1ccccc1 ZINC000816754287 784240666 /nfs/dbraw/zinc/24/06/66/784240666.db2.gz AHVKATSUKOEBFI-CQSZACIVSA-N -1 3 332.400 2.172 20 30 EEEDHM O=C(CCc1ccc(-c2ccccc2)o1)N[C@@H]1CCCN([O-])C1=O ZINC000816760019 784247897 /nfs/dbraw/zinc/24/78/97/784247897.db2.gz ZTRAVFZZNRJAER-OAHLLOKOSA-N -1 3 328.368 2.376 20 30 EEEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3cc(=O)[n-]cn3)cn2)c1 ZINC001136193373 785422181 /nfs/dbraw/zinc/42/21/81/785422181.db2.gz QNJXUZBJHUESMF-UHFFFAOYSA-N -1 3 333.307 2.493 20 30 EEEDHM N#Cc1cccc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2[O-])c1 ZINC001032287348 785454049 /nfs/dbraw/zinc/45/40/49/785454049.db2.gz DZTGMXIYRXUKOR-IRXDYDNUSA-N -1 3 333.391 2.363 20 30 EEEDHM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC2C[C@@H](C)N(C3CC3)C2)o1 ZINC000820108992 785794553 /nfs/dbraw/zinc/79/45/53/785794553.db2.gz XXIKOSHIVLWSQG-SNVBAGLBSA-N -1 3 344.423 2.078 20 30 EEEDHM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC2C[C@H](C)N(C3CC3)C2)o1 ZINC000820108991 785794590 /nfs/dbraw/zinc/79/45/90/785794590.db2.gz XXIKOSHIVLWSQG-JTQLQIEISA-N -1 3 344.423 2.078 20 30 EEEDHM COc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1OC1CCCC1 ZINC000820470866 785936620 /nfs/dbraw/zinc/93/66/20/785936620.db2.gz HUSKXWOCMWPIQN-CQSZACIVSA-N -1 3 348.399 2.127 20 30 EEEDHM COc1cc(C2(C(=O)N[C@@H]3CCCN([O-])C3=O)CCCC2)ccc1C ZINC000820477351 785938560 /nfs/dbraw/zinc/93/85/60/785938560.db2.gz XWKFEZCNBPOVPO-OAHLLOKOSA-N -1 3 346.427 2.312 20 30 EEEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1csc(-c2ccc(F)cc2)n1 ZINC000820476161 785938621 /nfs/dbraw/zinc/93/86/21/785938621.db2.gz IZSIPAXJTXYCSX-LLVKDONJSA-N -1 3 335.360 2.059 20 30 EEEDHM C=CCOC[C@H](NC(=O)c1cccc(CN2CCCCC2)c1)C(=O)[O-] ZINC000909767798 786220568 /nfs/dbraw/zinc/22/05/68/786220568.db2.gz QNWRRISPOWPRCT-KRWDZBQOSA-N -1 3 346.427 2.058 20 30 EEEDHM C=CCCC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000823894292 787985342 /nfs/dbraw/zinc/98/53/42/787985342.db2.gz MOKBLKFKXHAEMN-CHWSQXEVSA-N -1 3 329.404 2.495 20 30 EEEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCC(C)(C)C#N ZINC000824756629 788302783 /nfs/dbraw/zinc/30/27/83/788302783.db2.gz PINOERMSTZRQDS-NSHDSACASA-N -1 3 329.360 2.117 20 30 EEEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCC(C)(C)C#N ZINC000824756629 788302790 /nfs/dbraw/zinc/30/27/90/788302790.db2.gz PINOERMSTZRQDS-NSHDSACASA-N -1 3 329.360 2.117 20 30 EEEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000844491568 789154643 /nfs/dbraw/zinc/15/46/43/789154643.db2.gz XCNGCWHONAWUJR-SRVKXCTJSA-N -1 3 340.449 2.380 20 30 EEEDHM C#CCOc1ccc([N-]S(=O)(=O)[C@@H](CCC)C(=O)OCC)cc1 ZINC000844653791 789278154 /nfs/dbraw/zinc/27/81/54/789278154.db2.gz MFYQSFGRKVWKSQ-HNNXBMFYSA-N -1 3 339.413 2.172 20 30 EEEDHM N#Cc1ccc(N2CC[C@H]3CN(C(=O)c4ccccc4[O-])CC[C@H]32)nc1 ZINC001063976482 792045368 /nfs/dbraw/zinc/04/53/68/792045368.db2.gz LOTDYUNJWGFATO-DOTOQJQBSA-N -1 3 348.406 2.400 20 30 EEEDHM COc1ccc(-c2nnn[n-]2)cc1NCCOc1ccc(C#N)cc1 ZINC001171484753 796591479 /nfs/dbraw/zinc/59/14/79/796591479.db2.gz XIULYIAUIVVENJ-UHFFFAOYSA-N -1 3 336.355 2.238 20 30 EEEDHM COc1ccc(-c2nn[n-]n2)cc1NCCOc1ccc(C#N)cc1 ZINC001171484753 796591482 /nfs/dbraw/zinc/59/14/82/796591482.db2.gz 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Cc1cc(-c2nn[n-]n2)cc(NC(=O)Cc2c(C)cc(C#N)cc2C)n1 ZINC001580620925 1344545756 /nfs/dbraw/zinc/54/57/56/1344545756.db2.gz ZRFPMBODBYVIMJ-UHFFFAOYSA-N -1 3 347.382 2.240 20 30 EEEDHM Cc1cccc(COCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC001581241234 1344605485 /nfs/dbraw/zinc/60/54/85/1344605485.db2.gz ZGLZRLJHXQDXSY-UHFFFAOYSA-N -1 3 348.366 2.202 20 30 EEEDHM Cc1cccc(COCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC001581241234 1344605490 /nfs/dbraw/zinc/60/54/90/1344605490.db2.gz ZGLZRLJHXQDXSY-UHFFFAOYSA-N -1 3 348.366 2.202 20 30 EEEDHM C#C[C@](C)(CC)NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001588325065 1348886991 /nfs/dbraw/zinc/88/69/91/1348886991.db2.gz FCXBDHRJXLAXMQ-MRXNPFEDSA-N -1 3 329.429 2.018 20 30 EEEDHM C#C[C@](C)(CC)NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001588325065 1348886998 /nfs/dbraw/zinc/88/69/98/1348886998.db2.gz FCXBDHRJXLAXMQ-MRXNPFEDSA-N -1 3 329.429 2.018 20 30 EEEDHM C#CC[C@@H]1CCCN(C(=O)Cc2c(C)cc(-c3nnn[n-]3)cc2C)C1 ZINC001588335314 1348890532 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C#Cc1ccc(C(=O)N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)nc1 ZINC001588367831 1348896097 /nfs/dbraw/zinc/89/60/97/1348896097.db2.gz NTAVJBVXLVNYJB-MRXNPFEDSA-N -1 3 344.378 2.050 20 30 EEEDHM C#Cc1ccc(C(=O)N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)nc1 ZINC001588367831 1348896102 /nfs/dbraw/zinc/89/61/02/1348896102.db2.gz NTAVJBVXLVNYJB-MRXNPFEDSA-N -1 3 344.378 2.050 20 30 EEEDHM C#Cc1cccnc1N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588377508 1348897743 /nfs/dbraw/zinc/89/77/43/1348897743.db2.gz YAFRIKLIVDLFML-UHFFFAOYSA-N -1 3 346.394 2.291 20 30 EEEDHM C=C(C)C[C@H](C)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001588405959 1348900972 /nfs/dbraw/zinc/90/09/72/1348900972.db2.gz QRTAXMQWXARUNZ-NWDGAFQWSA-N -1 3 343.387 2.339 20 30 EEEDHM C=C(C)C[C@H](C)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001588405959 1348900977 /nfs/dbraw/zinc/90/09/77/1348900977.db2.gz QRTAXMQWXARUNZ-NWDGAFQWSA-N -1 3 343.387 2.339 20 30 EEEDHM C=C(C)CONC(=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588428985 1348904381 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20 30 EEEDHM C=CC(C)(C)CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588484912 1348909109 /nfs/dbraw/zinc/90/91/09/1348909109.db2.gz RSRIVSFJMBBLJI-UHFFFAOYSA-N -1 3 340.431 2.118 20 30 EEEDHM C=C[C@H](CC)CC(=O)N(C)CCNc1cccc(F)c1-c1nnn[n-]1 ZINC001588518379 1348911470 /nfs/dbraw/zinc/91/14/70/1348911470.db2.gz BQEZUPGQTJJZFX-GFCCVEGCSA-N -1 3 346.410 2.478 20 30 EEEDHM C=C[C@H](CC)CC(=O)N(C)CCNc1cccc(F)c1-c1nn[n-]n1 ZINC001588518379 1348911473 /nfs/dbraw/zinc/91/14/73/1348911473.db2.gz BQEZUPGQTJJZFX-GFCCVEGCSA-N -1 3 346.410 2.478 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N1CCO[C@@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588521834 1348912753 /nfs/dbraw/zinc/91/27/53/1348912753.db2.gz UJCSFSKJVBONHJ-XJKSGUPXSA-N -1 3 341.415 2.369 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N1CCO[C@@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588521834 1348912755 /nfs/dbraw/zinc/91/27/55/1348912755.db2.gz UJCSFSKJVBONHJ-XJKSGUPXSA-N -1 3 341.415 2.369 20 30 EEEDHM C=CCC1(C(=O)Oc2ccc(-c3nnn[n-]3)c(OC)c2)CCOCC1 ZINC001588556326 1348915589 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EEEDHM C=CCCCCCN[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC001588596461 1348923078 /nfs/dbraw/zinc/92/30/78/1348923078.db2.gz QXBQGGJALLVYSV-OAHLLOKOSA-N -1 3 329.404 2.417 20 30 EEEDHM C=CCCCCCN[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC001588596461 1348923080 /nfs/dbraw/zinc/92/30/80/1348923080.db2.gz QXBQGGJALLVYSV-OAHLLOKOSA-N -1 3 329.404 2.417 20 30 EEEDHM C=CCN(CC=C)C(=O)[C@H](C)Oc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588627864 1348924293 /nfs/dbraw/zinc/92/42/93/1348924293.db2.gz LKHFMEXGRIIUMX-NSHDSACASA-N -1 3 347.806 2.488 20 30 EEEDHM C=CCN(CC=C)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588627864 1348924296 /nfs/dbraw/zinc/92/42/96/1348924296.db2.gz LKHFMEXGRIIUMX-NSHDSACASA-N -1 3 347.806 2.488 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)C(=O)NCC(C)C ZINC001588648264 1348926805 /nfs/dbraw/zinc/92/68/05/1348926805.db2.gz JKTGEHOSYGARDJ-CQSZACIVSA-N -1 3 342.447 2.015 20 30 EEEDHM C[C@H](C#N)CN(C)C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC001588931263 1348948997 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COc1cc(-c2nnn[n-]2)ccc1Oc1ccc([N+](=O)[O-])cc1C#N ZINC001605189423 1351099500 /nfs/dbraw/zinc/09/95/00/1351099500.db2.gz ZBFPALJXFKMQKB-UHFFFAOYSA-N -1 3 338.283 2.447 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc([N+](=O)[O-])cc1C#N ZINC001605189423 1351099503 /nfs/dbraw/zinc/09/95/03/1351099503.db2.gz ZBFPALJXFKMQKB-UHFFFAOYSA-N -1 3 338.283 2.447 20 30 EEEDHM COc1cc(C#N)ccc1OC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001605191476 1351099668 /nfs/dbraw/zinc/09/96/68/1351099668.db2.gz XPGQYNWZEXKBMI-UHFFFAOYSA-N -1 3 339.286 2.105 20 30 EEEDHM COc1cc(C#N)ccc1OC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001605191476 1351099670 /nfs/dbraw/zinc/09/96/70/1351099670.db2.gz XPGQYNWZEXKBMI-UHFFFAOYSA-N -1 3 339.286 2.105 20 30 EEEDHM Cc1cc(-c2nn[nH]n2)ccc1COC(=O)c1cc([O-])cc(C#N)c1 ZINC001605541538 1351186120 /nfs/dbraw/zinc/18/61/20/1351186120.db2.gz NJRBNSIVYKGYRS-UHFFFAOYSA-N -1 3 335.323 2.109 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCc1ccc2c(c1)CCO2 ZINC001606379608 1351298757 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CNC(=O)c1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC001609289107 1351922677 /nfs/dbraw/zinc/92/26/77/1351922677.db2.gz KIGAFQJQVRRBFY-FLIBITNWSA-N -1 3 333.351 2.122 20 30 EEEDHM CNC(=O)c1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC001609289107 1351922678 /nfs/dbraw/zinc/92/26/78/1351922678.db2.gz KIGAFQJQVRRBFY-FLIBITNWSA-N -1 3 333.351 2.122 20 30 EEEDHM COC(=O)NCc1ccc(Nc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001609300654 1351924227 /nfs/dbraw/zinc/92/42/27/1351924227.db2.gz BEWINMHUFMSRJI-UHFFFAOYSA-N -1 3 349.354 2.338 20 30 EEEDHM COC(=O)NCc1ccc(Nc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001609300654 1351924230 /nfs/dbraw/zinc/92/42/30/1351924230.db2.gz BEWINMHUFMSRJI-UHFFFAOYSA-N -1 3 349.354 2.338 20 30 EEEDHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CC[C@](F)(C#N)C1 ZINC001609403507 1351962456 /nfs/dbraw/zinc/96/24/56/1351962456.db2.gz MDEMFTNMPPAHPL-INIZCTEOSA-N -1 3 341.325 2.304 20 30 EEEDHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CC[C@](F)(C#N)C1 ZINC001609403507 1351962460 /nfs/dbraw/zinc/96/24/60/1351962460.db2.gz MDEMFTNMPPAHPL-INIZCTEOSA-N -1 3 341.325 2.304 20 30 EEEDHM C=CC[C@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)C(=O)[O-] ZINC001334961516 1336318507 /nfs/dbraw/zinc/31/85/07/1336318507.db2.gz CTAZOZBNMXUTEY-INIZCTEOSA-N -1 3 345.443 2.152 20 30 EEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H](COCC)C1 ZINC001340500253 1337197866 /nfs/dbraw/zinc/19/78/66/1337197866.db2.gz DMPPEBGXJGJFLT-LBPRGKRZSA-N -1 3 333.392 2.078 20 30 EEEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(CCCC)CCOC ZINC001342024729 1337307057 /nfs/dbraw/zinc/30/70/57/1337307057.db2.gz FNUQVEPJEVWATI-UHFFFAOYSA-N -1 3 346.435 2.270 20 30 EEEDHM C=CC(C)(C)CNC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001344474944 1337396209 /nfs/dbraw/zinc/39/62/09/1337396209.db2.gz UPILUMYZFWGZGN-UHFFFAOYSA-N -1 3 343.424 2.209 20 30 EEEDHM C=CC[C@@H](NC(=O)NC[C@@H](CC)N1CCc2ccccc2C1)C(=O)[O-] ZINC001354038576 1338401447 /nfs/dbraw/zinc/40/14/47/1338401447.db2.gz HJUBKCRQGQSHMK-IAGOWNOFSA-N -1 3 345.443 2.152 20 30 EEEDHM C[C@H](c1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1)C(F)(F)F ZINC000848132198 1338528840 /nfs/dbraw/zinc/52/88/40/1338528840.db2.gz OVBUVQKPPKGGRO-BXKDBHETSA-N -1 3 330.306 2.462 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(CC#N)cc1 ZINC001579881127 1344425521 /nfs/dbraw/zinc/42/55/21/1344425521.db2.gz DSVOSAQZBDZPAD-UHFFFAOYSA-N -1 3 334.339 2.194 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(CC#N)cc1 ZINC001579881127 1344425525 /nfs/dbraw/zinc/42/55/25/1344425525.db2.gz DSVOSAQZBDZPAD-UHFFFAOYSA-N -1 3 334.339 2.194 20 30 EEEDHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC001580461920 1344523550 /nfs/dbraw/zinc/52/35/50/1344523550.db2.gz PHSGFOBFPLBISS-LLVKDONJSA-N -1 3 335.371 2.208 20 30 EEEDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC001580461920 1344523556 /nfs/dbraw/zinc/52/35/56/1344523556.db2.gz PHSGFOBFPLBISS-LLVKDONJSA-N -1 3 335.371 2.208 20 30 EEEDHM N#CCc1ccc(C(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)cc1 ZINC001581858865 1344679385 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C#CC1(F)CN(c2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)C1 ZINC001588333265 1348891618 /nfs/dbraw/zinc/89/16/18/1348891618.db2.gz JLGYTABNRQWVOX-UHFFFAOYSA-N -1 3 347.357 2.138 20 30 EEEDHM C#CC1(F)CN(c2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)C1 ZINC001588333265 1348891621 /nfs/dbraw/zinc/89/16/21/1348891621.db2.gz JLGYTABNRQWVOX-UHFFFAOYSA-N -1 3 347.357 2.138 20 30 EEEDHM C#CCCCCCCOC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001588345948 1348892663 /nfs/dbraw/zinc/89/26/63/1348892663.db2.gz QVBSBSSCGASBNJ-UHFFFAOYSA-N -1 3 328.372 2.372 20 30 EEEDHM C#CCCCCCCOC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001588345948 1348892669 /nfs/dbraw/zinc/89/26/69/1348892669.db2.gz QVBSBSSCGASBNJ-UHFFFAOYSA-N -1 3 328.372 2.372 20 30 EEEDHM C=C(C)[C@H](CC(=O)Nc1cc(OC)c(-c2nnn[n-]2)cc1F)OCC ZINC001588401784 1348900815 /nfs/dbraw/zinc/90/08/15/1348900815.db2.gz YEHFPQGWWTZIOB-ZDUSSCGKSA-N -1 3 349.366 2.324 20 30 EEEDHM C=C(C)[C@H](CC(=O)Nc1cc(OC)c(-c2nn[n-]n2)cc1F)OCC ZINC001588401784 1348900816 /nfs/dbraw/zinc/90/08/16/1348900816.db2.gz YEHFPQGWWTZIOB-ZDUSSCGKSA-N -1 3 349.366 2.324 20 30 EEEDHM C=C(C)CCC(=O)N(C)CCOCc1ccc(-c2nnn[n-]2)cc1 ZINC001588409378 1348901954 /nfs/dbraw/zinc/90/19/54/1348901954.db2.gz CGCSFSPBSUSPGQ-UHFFFAOYSA-N -1 3 329.404 2.198 20 30 EEEDHM C=C(C)CCC(=O)N(C)CCOCc1ccc(-c2nn[n-]n2)cc1 ZINC001588409378 1348901956 /nfs/dbraw/zinc/90/19/56/1348901956.db2.gz CGCSFSPBSUSPGQ-UHFFFAOYSA-N -1 3 329.404 2.198 20 30 EEEDHM C=C(C)C[C@H](NCc1ccc(-c2nnn[n-]2)c(C)c1)C(=O)OCC ZINC001588410341 1348902035 /nfs/dbraw/zinc/90/20/35/1348902035.db2.gz ONNPIIBFZSYOKN-HNNXBMFYSA-N -1 3 329.404 2.163 20 30 EEEDHM C=C(C)C[C@H](NCc1ccc(-c2nn[n-]n2)c(C)c1)C(=O)OCC ZINC001588410341 1348902039 /nfs/dbraw/zinc/90/20/39/1348902039.db2.gz ONNPIIBFZSYOKN-HNNXBMFYSA-N -1 3 329.404 2.163 20 30 EEEDHM C=C(COc1nc(C(C)(C)C)ccc1-c1nnn[n-]1)C(=O)OCC ZINC001588449006 1348905829 /nfs/dbraw/zinc/90/58/29/1348905829.db2.gz CYEHVFKHBKZXQY-UHFFFAOYSA-N -1 3 331.376 2.057 20 30 EEEDHM C=C(COc1nc(C(C)(C)C)ccc1-c1nn[n-]n1)C(=O)OCC ZINC001588449006 1348905832 /nfs/dbraw/zinc/90/58/32/1348905832.db2.gz CYEHVFKHBKZXQY-UHFFFAOYSA-N -1 3 331.376 2.057 20 30 EEEDHM C=CC(C)(C)C(=O)N(C)[C@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588468836 1348906754 /nfs/dbraw/zinc/90/67/54/1348906754.db2.gz XZZAVXGKXMNRQN-LLVKDONJSA-N -1 3 346.410 2.477 20 30 EEEDHM C=CC(C)(C)C(=O)N(C)[C@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588468836 1348906759 /nfs/dbraw/zinc/90/67/59/1348906759.db2.gz XZZAVXGKXMNRQN-LLVKDONJSA-N -1 3 346.410 2.477 20 30 EEEDHM C=CC(C)(C)CC(=O)N(CCOC)c1ccc(-c2nnn[n-]2)cc1 ZINC001588481941 1348908171 /nfs/dbraw/zinc/90/81/71/1348908171.db2.gz PVLPFVLHJGACBG-UHFFFAOYSA-N -1 3 329.404 2.448 20 30 EEEDHM C=CC(C)(C)CC(=O)N(CCOC)c1ccc(-c2nn[n-]n2)cc1 ZINC001588481941 1348908173 /nfs/dbraw/zinc/90/81/73/1348908173.db2.gz PVLPFVLHJGACBG-UHFFFAOYSA-N -1 3 329.404 2.448 20 30 EEEDHM C=CC(C)(C)CNS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001588488897 1348908809 /nfs/dbraw/zinc/90/88/09/1348908809.db2.gz QFESUJQDULUEEG-UHFFFAOYSA-N -1 3 341.824 2.011 20 30 EEEDHM C=CC(C)(C)CNS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001588488897 1348908812 /nfs/dbraw/zinc/90/88/12/1348908812.db2.gz QFESUJQDULUEEG-UHFFFAOYSA-N -1 3 341.824 2.011 20 30 EEEDHM C=CCC1(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2F)CCOCC1 ZINC001588557371 1348915948 /nfs/dbraw/zinc/91/59/48/1348915948.db2.gz NOLHGQAQEDQDPV-UHFFFAOYSA-N -1 3 346.366 2.253 20 30 EEEDHM C=CCC1(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2F)CCOCC1 ZINC001588557371 1348915950 /nfs/dbraw/zinc/91/59/50/1348915950.db2.gz NOLHGQAQEDQDPV-UHFFFAOYSA-N -1 3 346.366 2.253 20 30 EEEDHM C=CCCC(=O)N[C@@H]1CCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001588571064 1348918978 /nfs/dbraw/zinc/91/89/78/1348918978.db2.gz SXNZEGHIFOEIRW-CHWSQXEVSA-N -1 3 341.419 2.067 20 30 EEEDHM C=CCCC(=O)N[C@@H]1CCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001588571064 1348918981 /nfs/dbraw/zinc/91/89/81/1348918981.db2.gz SXNZEGHIFOEIRW-CHWSQXEVSA-N -1 3 341.419 2.067 20 30 EEEDHM C=CCC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588578825 1348919688 /nfs/dbraw/zinc/91/96/88/1348919688.db2.gz GNWPYJNSHHEFID-JTQLQIEISA-N -1 3 338.209 2.368 20 30 EEEDHM C=CCC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588578825 1348919692 /nfs/dbraw/zinc/91/96/92/1348919692.db2.gz GNWPYJNSHHEFID-JTQLQIEISA-N -1 3 338.209 2.368 20 30 EEEDHM C=CCCO[C@@H](C)C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588608441 1348923344 /nfs/dbraw/zinc/92/33/44/1348923344.db2.gz MGPDEUTWXFHINA-LRDDRELGSA-N -1 3 341.415 2.342 20 30 EEEDHM C=CCCO[C@@H](C)C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588608441 1348923347 /nfs/dbraw/zinc/92/33/47/1348923347.db2.gz MGPDEUTWXFHINA-LRDDRELGSA-N -1 3 341.415 2.342 20 30 EEEDHM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC001589319573 1348983340 /nfs/dbraw/zinc/98/33/40/1348983340.db2.gz QETJZJQZGPODGR-UHFFFAOYSA-N -1 3 332.367 2.403 20 30 EEEDHM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC001589319573 1348983342 /nfs/dbraw/zinc/98/33/42/1348983342.db2.gz QETJZJQZGPODGR-UHFFFAOYSA-N -1 3 332.367 2.403 20 30 EEEDHM CCc1cc(C#N)ccc1OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001590878021 1349408447 /nfs/dbraw/zinc/40/84/47/1349408447.db2.gz MIFSWMZAUNGXOH-UHFFFAOYSA-N -1 3 348.366 2.318 20 30 EEEDHM CCc1cc(C#N)ccc1OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001590878021 1349408451 /nfs/dbraw/zinc/40/84/51/1349408451.db2.gz MIFSWMZAUNGXOH-UHFFFAOYSA-N -1 3 348.366 2.318 20 30 EEEDHM CCc1nnc(NCCc2ccc(-c3nnn[n-]3)cc2)c(C#N)c1CC ZINC001590932942 1349419922 /nfs/dbraw/zinc/41/99/22/1349419922.db2.gz RMHWSYZHWKXULP-UHFFFAOYSA-N -1 3 348.414 2.308 20 30 EEEDHM CCc1nnc(NCCc2ccc(-c3nn[n-]n3)cc2)c(C#N)c1CC ZINC001590932942 1349419927 /nfs/dbraw/zinc/41/99/27/1349419927.db2.gz RMHWSYZHWKXULP-UHFFFAOYSA-N -1 3 348.414 2.308 20 30 EEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CCSCc1ccccc1 ZINC001592340935 1349623101 /nfs/dbraw/zinc/62/31/01/1349623101.db2.gz MFUXMLJTJQJOCL-UHFFFAOYSA-N -1 3 325.401 2.177 20 30 EEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CCSCc1ccccc1 ZINC001592340935 1349623102 /nfs/dbraw/zinc/62/31/02/1349623102.db2.gz MFUXMLJTJQJOCL-UHFFFAOYSA-N -1 3 325.401 2.177 20 30 EEEDHM N#C[C@]1(F)CCN(c2cc(-c3nnn[n-]3)ccc2C(F)(F)F)C1 ZINC001592670663 1349703547 /nfs/dbraw/zinc/70/35/47/1349703547.db2.gz KCMQKWAIHFXHRQ-GFCCVEGCSA-N -1 3 326.257 2.327 20 30 EEEDHM N#C[C@]1(F)CCN(c2cc(-c3nn[n-]n3)ccc2C(F)(F)F)C1 ZINC001592670663 1349703552 /nfs/dbraw/zinc/70/35/52/1349703552.db2.gz KCMQKWAIHFXHRQ-GFCCVEGCSA-N -1 3 326.257 2.327 20 30 EEEDHM N#Cc1ccc(C2CCN(c3ccc(-c4nn[n-]n4)c(N)n3)CC2)cc1 ZINC001592691939 1349707063 /nfs/dbraw/zinc/70/70/63/1349707063.db2.gz JQOVAUBROABAQO-UHFFFAOYSA-N -1 3 346.398 2.100 20 30 EEEDHM c1cc2c(cc1-c1nnn[n-]1)CCCCC2=NNC1CCOCC1 ZINC001593563623 1349850895 /nfs/dbraw/zinc/85/08/95/1349850895.db2.gz BPIXDRCIPYIGCX-UHFFFAOYSA-N -1 3 326.404 2.066 20 30 EEEDHM c1cc2c(cc1-c1nn[n-]n1)CCCCC2=NNC1CCOCC1 ZINC001593563623 1349850897 /nfs/dbraw/zinc/85/08/97/1349850897.db2.gz 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CC(C#N)C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000736203609 578187064 /nfs/dbraw/zinc/18/70/64/578187064.db2.gz UQZLZQORVAUANY-LDYMZIIASA-N -1 3 325.162 2.241 20 30 EEEDHM CCCC(=O)N[C@H]1CCCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736950874 578230746 /nfs/dbraw/zinc/23/07/46/578230746.db2.gz HATCJHUVLQJOFA-DOTOQJQBSA-N -1 3 329.400 2.065 20 30 EEEDHM COCc1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737022664 578233501 /nfs/dbraw/zinc/23/35/01/578233501.db2.gz ZCFMVHFFYQUUHY-UHFFFAOYSA-N -1 3 334.339 2.137 20 30 EEEDHM COCc1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737022664 578233502 /nfs/dbraw/zinc/23/35/02/578233502.db2.gz ZCFMVHFFYQUUHY-UHFFFAOYSA-N -1 3 334.339 2.137 20 30 EEEDHM N#Cc1ccc(NC(=O)[C@H]2CCc3ccccc32)cc1-c1nnn[n-]1 ZINC000737716499 578247163 /nfs/dbraw/zinc/24/71/63/578247163.db2.gz RFOCGIDZGZKZLU-HNNXBMFYSA-N -1 3 330.351 2.407 20 30 EEEDHM N#Cc1ccc(NC(=O)[C@H]2CCc3ccccc32)cc1-c1nn[n-]n1 ZINC000737716499 578247164 /nfs/dbraw/zinc/24/71/64/578247164.db2.gz RFOCGIDZGZKZLU-HNNXBMFYSA-N -1 3 330.351 2.407 20 30 EEEDHM CCOC(=O)C1CCC(N=NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821319905 607253308 /nfs/dbraw/zinc/25/33/08/607253308.db2.gz JKJWQEHLZLSOGD-UHFFFAOYSA-N -1 3 342.403 2.066 20 30 EEEDHM CCOC(=O)C1CCC(N=NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821319905 607253309 /nfs/dbraw/zinc/25/33/09/607253309.db2.gz JKJWQEHLZLSOGD-UHFFFAOYSA-N -1 3 342.403 2.066 20 30 EEEDHM CC(=O)Nc1ccsc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000819827061 607254208 /nfs/dbraw/zinc/25/42/08/607254208.db2.gz QOXQARIDJKOKFB-UHFFFAOYSA-N -1 3 341.400 2.010 20 30 EEEDHM CC(=O)Nc1ccsc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000819827061 607254209 /nfs/dbraw/zinc/25/42/09/607254209.db2.gz QOXQARIDJKOKFB-UHFFFAOYSA-N -1 3 341.400 2.010 20 30 EEEDHM N#Cc1ccc(N2CCC[C@H](N3CCC[C@H](CC(=O)[O-])C3)C2=O)cc1 ZINC000821336201 598209656 /nfs/dbraw/zinc/20/96/56/598209656.db2.gz VFDWRWKTJXXGPM-WBVHZDCISA-N -1 3 341.411 2.240 20 30 EEEDHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc(C#N)ccc1OC ZINC000821731339 607370392 /nfs/dbraw/zinc/37/03/92/607370392.db2.gz AVWFZTSXOIRTKD-UHFFFAOYSA-N -1 3 336.355 2.368 20 30 EEEDHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(C#N)ccc1OC ZINC000821731339 607370394 /nfs/dbraw/zinc/37/03/94/607370394.db2.gz AVWFZTSXOIRTKD-UHFFFAOYSA-N -1 3 336.355 2.368 20 30 EEEDHM Cc1nc2sccn2c1C=NOCc1ccc(-c2nnn[n-]2)cc1 ZINC000822468240 599387191 /nfs/dbraw/zinc/38/71/91/599387191.db2.gz YBFNJEJMPLWXJR-UHFFFAOYSA-N -1 3 339.384 2.435 20 30 EEEDHM Cc1nc2sccn2c1C=NOCc1ccc(-c2nn[n-]n2)cc1 ZINC000822468240 599387194 /nfs/dbraw/zinc/38/71/94/599387194.db2.gz YBFNJEJMPLWXJR-UHFFFAOYSA-N -1 3 339.384 2.435 20 30 EEEDHM C#CCCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000819693360 599468281 /nfs/dbraw/zinc/46/82/81/599468281.db2.gz QZCJHQUWZJPWPQ-UHFFFAOYSA-N -1 3 340.431 2.448 20 30 EEEDHM C#CCCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000819693360 599468283 /nfs/dbraw/zinc/46/82/83/599468283.db2.gz QZCJHQUWZJPWPQ-UHFFFAOYSA-N -1 3 340.431 2.448 20 30 EEEDHM C=C(C)CN(CC)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000819722476 599560182 /nfs/dbraw/zinc/56/01/82/599560182.db2.gz JNUAPVMCOLJLBX-UHFFFAOYSA-N -1 3 325.376 2.315 20 30 EEEDHM CN(C(=O)c1c(F)cc(C#N)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825825661 607436862 /nfs/dbraw/zinc/43/68/62/607436862.db2.gz HDSUWBVFOMGJCK-UHFFFAOYSA-N -1 3 340.293 2.293 20 30 EEEDHM CN(C(=O)c1c(F)cc(C#N)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825825661 607436864 /nfs/dbraw/zinc/43/68/64/607436864.db2.gz HDSUWBVFOMGJCK-UHFFFAOYSA-N -1 3 340.293 2.293 20 30 EEEDHM C=CCN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2F)SC1=S ZINC000819745409 607456070 /nfs/dbraw/zinc/45/60/70/607456070.db2.gz BMBUDUSDGPPGCT-XFFZJAGNSA-N -1 3 347.400 2.393 20 30 EEEDHM C=CCN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2F)SC1=S ZINC000819745409 607456071 /nfs/dbraw/zinc/45/60/71/607456071.db2.gz BMBUDUSDGPPGCT-XFFZJAGNSA-N -1 3 347.400 2.393 20 30 EEEDHM COc1ccc(COc2ccc(-c3nnn[n-]3)c(F)c2)cc1C#N ZINC000826207256 607546055 /nfs/dbraw/zinc/54/60/55/607546055.db2.gz HDWFHXLJQMGRBY-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM COc1ccc(COc2ccc(-c3nn[n-]n3)c(F)c2)cc1C#N ZINC000826207256 607546056 /nfs/dbraw/zinc/54/60/56/607546056.db2.gz HDWFHXLJQMGRBY-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM COc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000826206286 607596064 /nfs/dbraw/zinc/59/60/64/607596064.db2.gz LQMRYHRXTVHOKU-UHFFFAOYSA-N -1 3 335.323 2.104 20 30 EEEDHM COc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000826206286 607596066 /nfs/dbraw/zinc/59/60/66/607596066.db2.gz LQMRYHRXTVHOKU-UHFFFAOYSA-N -1 3 335.323 2.104 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(CCC#N)Cc1cccnc1 ZINC000826244427 607673762 /nfs/dbraw/zinc/67/37/62/607673762.db2.gz RRKGTEFNWGWMIF-UHFFFAOYSA-N -1 3 347.382 2.126 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(CCC#N)Cc1cccnc1 ZINC000826244427 607673764 /nfs/dbraw/zinc/67/37/64/607673764.db2.gz RRKGTEFNWGWMIF-UHFFFAOYSA-N -1 3 347.382 2.126 20 30 EEEDHM CC1=C(C(=O)[O-])C[C@@H](CN2CCCN(c3ccccc3C#N)CC2)O1 ZINC000833580374 604828084 /nfs/dbraw/zinc/82/80/84/604828084.db2.gz QDLJRUDPPYDDLI-INIZCTEOSA-N -1 3 341.411 2.218 20 30 EEEDHM C=CCCS(=O)(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819739743 607003138 /nfs/dbraw/zinc/00/31/38/607003138.db2.gz FYOBBQIMNMJVBF-LBPRGKRZSA-N -1 3 335.433 2.156 20 30 EEEDHM C=CCCS(=O)(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819739743 607003140 /nfs/dbraw/zinc/00/31/40/607003140.db2.gz FYOBBQIMNMJVBF-LBPRGKRZSA-N -1 3 335.433 2.156 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cncc(F)c1 ZINC000819746060 607034107 /nfs/dbraw/zinc/03/41/07/607034107.db2.gz ZFONZTRTMPXPDU-UHFFFAOYSA-N -1 3 338.346 2.229 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cncc(F)c1 ZINC000819746060 607034108 /nfs/dbraw/zinc/03/41/08/607034108.db2.gz ZFONZTRTMPXPDU-UHFFFAOYSA-N -1 3 338.346 2.229 20 30 EEEDHM Clc1nccnc1N=NCc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000822590708 607148792 /nfs/dbraw/zinc/14/87/92/607148792.db2.gz NGAZSQQKFUTIJF-UHFFFAOYSA-N -1 3 339.750 2.237 20 30 EEEDHM Clc1nccnc1N=NCc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000822590708 607148793 /nfs/dbraw/zinc/14/87/93/607148793.db2.gz NGAZSQQKFUTIJF-UHFFFAOYSA-N -1 3 339.750 2.237 20 30 EEEDHM COc1ccc(COc2cccc(F)c2C#N)cc1-c1nnn[n-]1 ZINC000826207624 607864440 /nfs/dbraw/zinc/86/44/40/607864440.db2.gz VUOSCJBJPGDHLI-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM COc1ccc(COc2cccc(F)c2C#N)cc1-c1nn[n-]n1 ZINC000826207624 607864441 /nfs/dbraw/zinc/86/44/41/607864441.db2.gz VUOSCJBJPGDHLI-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM C=C(C)[C@@H](CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)OCC ZINC000823872529 607880709 /nfs/dbraw/zinc/88/07/09/607880709.db2.gz APOHTAASSLILQE-IUODEOHRSA-N -1 3 329.404 2.415 20 30 EEEDHM C=C(C)[C@@H](CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)OCC ZINC000823872529 607880710 /nfs/dbraw/zinc/88/07/10/607880710.db2.gz APOHTAASSLILQE-IUODEOHRSA-N -1 3 329.404 2.415 20 30 EEEDHM C=C(C)[C@@H](CC(=O)OCc1cc(-c2nnn[n-]2)ccc1F)OCC ZINC000823873642 607919159 /nfs/dbraw/zinc/91/91/59/607919159.db2.gz OODRYUYPSCXDCP-CQSZACIVSA-N -1 3 334.351 2.420 20 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/nfs/dbraw/zinc/32/11/32/608321132.db2.gz CZHUPWWTUCETPZ-UHFFFAOYSA-N -1 3 337.387 2.368 20 30 EEEDHM C#CCCCCC(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC ZINC000823837404 608321134 /nfs/dbraw/zinc/32/11/34/608321134.db2.gz CZHUPWWTUCETPZ-UHFFFAOYSA-N -1 3 337.387 2.368 20 30 EEEDHM N#Cc1ccc(CC(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826384708 608446967 /nfs/dbraw/zinc/44/69/67/608446967.db2.gz GVWGRKZGTHFZAL-UHFFFAOYSA-N -1 3 337.314 2.163 20 30 EEEDHM N#Cc1ccc(CC(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826384708 608446968 /nfs/dbraw/zinc/44/69/68/608446968.db2.gz GVWGRKZGTHFZAL-UHFFFAOYSA-N -1 3 337.314 2.163 20 30 EEEDHM N#CCC[C@H](C#N)CN1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826380452 608462812 /nfs/dbraw/zinc/46/28/12/608462812.db2.gz AWFBTMQOLCEBNW-CQSZACIVSA-N -1 3 333.399 2.399 20 30 EEEDHM N#CCC[C@H](C#N)CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826380452 608462814 /nfs/dbraw/zinc/46/28/14/608462814.db2.gz AWFBTMQOLCEBNW-CQSZACIVSA-N -1 3 333.399 2.399 20 30 EEEDHM C=CCN(Cc1cn(C)nc1CC)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914138 608581976 /nfs/dbraw/zinc/58/19/76/608581976.db2.gz BEZOJOLRWUJPJV-UHFFFAOYSA-N -1 3 337.431 2.351 20 30 EEEDHM N#Cc1cc(-c2nnn[n-]2)c(SCc2ccc(CF)cc2)nc1N ZINC000826383739 609268005 /nfs/dbraw/zinc/26/80/05/609268005.db2.gz OCOPCXFPXCMPCR-UHFFFAOYSA-N -1 3 341.375 2.477 20 30 EEEDHM N#Cc1cc(-c2nn[n-]n2)c(SCc2ccc(CF)cc2)nc1N ZINC000826383739 609268007 /nfs/dbraw/zinc/26/80/07/609268007.db2.gz OCOPCXFPXCMPCR-UHFFFAOYSA-N -1 3 341.375 2.477 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(F)cn1 ZINC000823914991 609498818 /nfs/dbraw/zinc/49/88/18/609498818.db2.gz QWGMVQQHYZSZIR-UHFFFAOYSA-N -1 3 338.346 2.229 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(F)cn1 ZINC000823914991 609498820 /nfs/dbraw/zinc/49/88/20/609498820.db2.gz QWGMVQQHYZSZIR-UHFFFAOYSA-N -1 3 338.346 2.229 20 30 EEEDHM COc1ccc(O)cc1C(C)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826210255 609517766 /nfs/dbraw/zinc/51/77/66/609517766.db2.gz 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C=CCN(CC=C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001588631983 1348925515 /nfs/dbraw/zinc/92/55/15/1348925515.db2.gz PHTFLXXCPXLNOB-INIZCTEOSA-N -1 3 338.415 2.036 20 30 EEEDHM CC(C)(C#N)CNC(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001589034146 1348954088 /nfs/dbraw/zinc/95/40/88/1348954088.db2.gz SDLCSWQTLNCIGK-AWEZNQCLSA-N -1 3 339.403 2.093 20 30 EEEDHM CC(C)(C#N)CNC(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001589034146 1348954091 /nfs/dbraw/zinc/95/40/91/1348954091.db2.gz SDLCSWQTLNCIGK-AWEZNQCLSA-N -1 3 339.403 2.093 20 30 EEEDHM CC(C)(C(=O)OCc1ccc(-c2nnn[n-]2)cn1)c1ccc(C#N)cc1 ZINC001589061706 1348956680 /nfs/dbraw/zinc/95/66/80/1348956680.db2.gz HGHYVHHXAOVZRR-UHFFFAOYSA-N -1 3 348.366 2.154 20 30 EEEDHM CC(C)(C(=O)OCc1ccc(-c2nn[n-]n2)cn1)c1ccc(C#N)cc1 ZINC001589061706 1348956683 /nfs/dbraw/zinc/95/66/83/1348956683.db2.gz HGHYVHHXAOVZRR-UHFFFAOYSA-N -1 3 348.366 2.154 20 30 EEEDHM CC(C)[C@]1(C)C[C@H]1NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589491053 1348994985 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COC(=O)CN(Cc1cc(C#N)ccn1)Cc1cc(Cl)ccc1[O-] ZINC001307538695 1331539798 /nfs/dbraw/zinc/53/97/98/1331539798.db2.gz FDBSQYVHBKGMKT-UHFFFAOYSA-N -1 3 345.786 2.487 20 30 EEEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F)C(C)(C)C ZINC001309551645 1331633929 /nfs/dbraw/zinc/63/39/29/1331633929.db2.gz YIVBFYSHPLCQRS-ZDUSSCGKSA-N -1 3 341.404 2.247 20 30 EEEDHM Cc1noc(-c2ccccc2)c1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC001310535944 1331695501 /nfs/dbraw/zinc/69/55/01/1331695501.db2.gz UACRDZVTMYWUCP-LBPRGKRZSA-N -1 3 330.344 2.152 20 30 EEEDHM C=CC[C@H]([N-]S(=O)(=O)Cc1ccc(CC)cc1)C(=O)OCC ZINC001321239696 1333052498 /nfs/dbraw/zinc/05/24/98/1333052498.db2.gz NPAGYTVJHVWGMB-HNNXBMFYSA-N -1 3 325.430 2.176 20 30 EEEDHM C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609165313 1351871610 /nfs/dbraw/zinc/87/16/10/1351871610.db2.gz JSOQLEYJBMVZSU-DAXOMENPSA-N -1 3 338.415 2.244 20 30 EEEDHM Cc1ccc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1-c1nnn[n-]1 ZINC001609418507 1351968484 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EEEDHM O=[N+]([O-])c1ccc(CC=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001609601601 1352030853 /nfs/dbraw/zinc/03/08/53/1352030853.db2.gz PRYWUVLGCXCSEV-UHFFFAOYSA-N -1 3 337.343 2.093 20 30 EEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 ZINC001339013966 1336945102 /nfs/dbraw/zinc/94/51/02/1336945102.db2.gz AXSXFOPSFUOBFI-OLZOCXBDSA-N -1 3 347.419 2.466 20 30 EEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001339014059 1336945124 /nfs/dbraw/zinc/94/51/24/1336945124.db2.gz CGSMJKSWDCTPNA-LBPRGKRZSA-N -1 3 333.392 2.076 20 30 EEEDHM C=C1CCC(C(=O)N[C@@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)CC1 ZINC001347308246 1337503166 /nfs/dbraw/zinc/50/31/66/1337503166.db2.gz ZKNYBMHLKIFZJW-OAHLLOKOSA-N -1 3 330.432 2.322 20 30 EEEDHM C#CCC(C)(C)C(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC001588330823 1348889404 /nfs/dbraw/zinc/88/94/04/1348889404.db2.gz KTYFBMCDCDBFGY-GFCCVEGCSA-N -1 3 328.372 2.227 20 30 EEEDHM C#CCC(C)(C)C(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC001588330823 1348889411 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C#Cc1cccc(N(C(=O)c2cc(-c3nn[n-]n3)ccn2)C(C)C)c1 ZINC001588374868 1348897929 /nfs/dbraw/zinc/89/79/29/1348897929.db2.gz UCPQYBORHDJLPN-UHFFFAOYSA-N -1 3 332.367 2.298 20 30 EEEDHM C=C(C)COCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001588428838 1348903984 /nfs/dbraw/zinc/90/39/84/1348903984.db2.gz FABKJJHNCBLPGA-UHFFFAOYSA-N -1 3 342.403 2.458 20 30 EEEDHM C=C(C)COCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001588428838 1348903988 /nfs/dbraw/zinc/90/39/88/1348903988.db2.gz FABKJJHNCBLPGA-UHFFFAOYSA-N -1 3 342.403 2.458 20 30 EEEDHM C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(-c2nn[n-]n2)o1 ZINC001588426530 1348904351 /nfs/dbraw/zinc/90/43/51/1348904351.db2.gz XWYFORUCZDRAJY-UHFFFAOYSA-N -1 3 329.360 2.123 20 30 EEEDHM C=CC(C)(C)CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588488006 1348909218 /nfs/dbraw/zinc/90/92/18/1348909218.db2.gz WHMINSBJXHARTM-UHFFFAOYSA-N -1 3 349.460 2.446 20 30 EEEDHM C=CC(C)(C)CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588488006 1348909222 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EEEDHM C=CCN(C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)[C@H](C)COC ZINC001588625449 1348924190 /nfs/dbraw/zinc/92/41/90/1348924190.db2.gz KMSWNSPVIPQAPD-OLZOCXBDSA-N -1 3 344.419 2.160 20 30 EEEDHM C=CCN(CCc1ccco1)C(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588635497 1348924841 /nfs/dbraw/zinc/92/48/41/1348924841.db2.gz KSSKPBLWUCMGMC-UHFFFAOYSA-N -1 3 338.371 2.034 20 30 EEEDHM C=CCN(CCc1ccco1)C(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001588635497 1348924842 /nfs/dbraw/zinc/92/48/42/1348924842.db2.gz KSSKPBLWUCMGMC-UHFFFAOYSA-N -1 3 338.371 2.034 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001588638503 1348925348 /nfs/dbraw/zinc/92/53/48/1348925348.db2.gz DLKXCYVOIUXYFN-BBRMVZONSA-N -1 3 341.415 2.196 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001588638503 1348925349 /nfs/dbraw/zinc/92/53/49/1348925349.db2.gz DLKXCYVOIUXYFN-BBRMVZONSA-N -1 3 341.415 2.196 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1ccncc1C#N ZINC001588647835 1348925949 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C=CCNC(=O)c1ccc(NCc2csc(-c3nnn[n-]3)c2)cc1 ZINC001588663579 1348928048 /nfs/dbraw/zinc/92/80/48/1348928048.db2.gz LWPKDXYLTQGMHP-UHFFFAOYSA-N -1 3 340.412 2.456 20 30 EEEDHM C=CCSCCNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588688733 1348929279 /nfs/dbraw/zinc/92/92/79/1348929279.db2.gz OLWPXPJEBSHXFI-NSHDSACASA-N -1 3 332.433 2.146 20 30 EEEDHM C=CCSCCNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588688733 1348929280 /nfs/dbraw/zinc/92/92/80/1348929280.db2.gz OLWPXPJEBSHXFI-NSHDSACASA-N -1 3 332.433 2.146 20 30 EEEDHM C=CCOCCCC(=O)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC001588682886 1348929453 /nfs/dbraw/zinc/92/94/53/1348929453.db2.gz TYBRLCCUMMDONG-UHFFFAOYSA-N -1 3 338.371 2.336 20 30 EEEDHM C=CCOCCCC(=O)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC001588682886 1348929457 /nfs/dbraw/zinc/92/94/57/1348929457.db2.gz TYBRLCCUMMDONG-UHFFFAOYSA-N -1 3 338.371 2.336 20 30 EEEDHM C[C@H](NC(=O)CC#Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589924301 1349063139 /nfs/dbraw/zinc/06/31/39/1349063139.db2.gz 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N#Cc1cc2cccnc2nc1NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001606363556 1404803136 /nfs/dbraw/zinc/80/31/36/1404803136.db2.gz MEQDTPADCYTUSC-UHFFFAOYSA-N -1 3 346.329 2.433 20 30 EEEDHM CO[C@H](C)c1nc(C/N=C2/[N-]S(=O)(=O)c3ccccc32)cs1 ZINC001771618265 1406145492 /nfs/dbraw/zinc/14/54/92/1406145492.db2.gz RQRRUJNSWARMFZ-SECBINFHSA-N -1 3 337.426 2.089 20 30 EEEDHM N#Cc1cccc(CN2CCC[C@@H]2CNC(=O)c2ncccc2[O-])c1 ZINC001027843952 773414360 /nfs/dbraw/zinc/41/43/60/773414360.db2.gz JXDMQWKEVQPVSV-MRXNPFEDSA-N -1 3 336.395 2.053 20 30 EEEDHM N#Cc1cnc(N[C@H]2CCN(C(=O)c3ccccc3[O-])C2)c(F)c1 ZINC001058832208 774549953 /nfs/dbraw/zinc/54/99/53/774549953.db2.gz BYUNTLAGQVLLJU-LBPRGKRZSA-N -1 3 326.331 2.125 20 30 EEEDHM C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3ccccc3[O-])C2)cc1 ZINC000939495651 776700734 /nfs/dbraw/zinc/70/07/34/776700734.db2.gz BYCTVPQOKSOCQH-MRXNPFEDSA-N -1 3 334.375 2.018 20 30 EEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)CC)ccc1F ZINC000075509118 777910836 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C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCO[C@H](C)C1 ZINC000823909523 787976013 /nfs/dbraw/zinc/97/60/13/787976013.db2.gz HQJRYKILZVWUCG-CJNGLKHVSA-N -1 3 341.415 2.196 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCO[C@H](C)C1 ZINC000823909523 787976018 /nfs/dbraw/zinc/97/60/18/787976018.db2.gz HQJRYKILZVWUCG-CJNGLKHVSA-N -1 3 341.415 2.196 20 30 EEEDHM CC(=O)c1c(C)cc(C)c(Cn2cnc(C#N)c2-c2nnn[n-]2)c1C ZINC000824010121 787999900 /nfs/dbraw/zinc/99/99/00/787999900.db2.gz JBEGLHKREYHCRD-UHFFFAOYSA-N -1 3 335.371 2.111 20 30 EEEDHM N#Cc1ccc(NCC2(CCNC(=O)c3ccccc3[O-])CC2)nn1 ZINC001089897670 788238383 /nfs/dbraw/zinc/23/83/83/788238383.db2.gz WXEIIRUPZZOQSX-UHFFFAOYSA-N -1 3 337.383 2.066 20 30 EEEDHM C=CCOC[C@@H](NCc1cnn(Cc2ccccc2Cl)c1)C(=O)[O-] ZINC000901808479 788848314 /nfs/dbraw/zinc/84/83/14/788848314.db2.gz FVIBMMGFUYIUHR-MRXNPFEDSA-N -1 3 349.818 2.330 20 30 EEEDHM C=C(C)CO[N-]C(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC000846540224 790237142 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C[C@@H](C[C@H](C)Nc1ccc(C#N)nc1)NC(=O)c1cccc2n[n-]nc21 ZINC001089390564 798326269 /nfs/dbraw/zinc/32/62/69/798326269.db2.gz LEVKSHPDTGRJPE-RYUDHWBXSA-N -1 3 349.398 2.234 20 30 EEEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@H]2CCCCN2C)c(C)c1[O-] ZINC001178696269 799591921 /nfs/dbraw/zinc/59/19/21/799591921.db2.gz FHNCXCGKKKAKJC-CQSZACIVSA-N -1 3 345.399 2.172 20 30 EEEDHM C[C@@H](CCCCNc1cncc(C#N)n1)NC(=O)c1ccccc1[O-] ZINC001090046574 800284082 /nfs/dbraw/zinc/28/40/82/800284082.db2.gz GFFUBCZGADPJRM-ZDUSSCGKSA-N -1 3 339.399 2.455 20 30 EEEDHM C[C@H](CN(C)c1ncc(C#N)cc1F)NC(=O)c1ccccc1[O-] ZINC001108868816 804627210 /nfs/dbraw/zinc/62/72/10/804627210.db2.gz GHOAGZPGNCEQFI-LLVKDONJSA-N -1 3 328.347 2.053 20 30 EEEDHM Cc1nn(C)c(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)c1C#N ZINC000788267867 807466028 /nfs/dbraw/zinc/46/60/28/807466028.db2.gz TVAIQIXJQLZQGQ-UHFFFAOYSA-N -1 3 345.834 2.281 20 30 EEEDHM C=C[C@H](CC)CC(=O)N1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC001113247994 808536651 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CN(C(=O)c1cc(-c2nnn[n-]2)ccc1F)c1ccc(C#N)cc1F ZINC001578908317 1344317625 /nfs/dbraw/zinc/31/76/25/1344317625.db2.gz XKBHVKBICCJFQV-UHFFFAOYSA-N -1 3 340.293 2.293 20 30 EEEDHM CN(C(=O)c1cc(-c2nn[n-]n2)ccc1F)c1ccc(C#N)cc1F ZINC001578908317 1344317634 /nfs/dbraw/zinc/31/76/34/1344317634.db2.gz XKBHVKBICCJFQV-UHFFFAOYSA-N -1 3 340.293 2.293 20 30 EEEDHM COc1cc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)ccc1-c1nnn[n-]1 ZINC001579898085 1344429341 /nfs/dbraw/zinc/42/93/41/1344429341.db2.gz HOEPOYZITZWQPN-NSHDSACASA-N -1 3 348.366 2.238 20 30 EEEDHM COc1cc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)ccc1-c1nn[n-]n1 ZINC001579898085 1344429344 /nfs/dbraw/zinc/42/93/44/1344429344.db2.gz HOEPOYZITZWQPN-NSHDSACASA-N -1 3 348.366 2.238 20 30 EEEDHM Cc1cc(C(=O)N2CCCc3c(C#N)cccc32)ncc1-c1nnn[n-]1 ZINC001580807939 1344561146 /nfs/dbraw/zinc/56/11/46/1344561146.db2.gz FVHNAGRSZPNERZ-UHFFFAOYSA-N -1 3 345.366 2.035 20 30 EEEDHM Cc1cc(C(=O)N2CCCc3c(C#N)cccc32)ncc1-c1nn[n-]n1 ZINC001580807939 1344561148 /nfs/dbraw/zinc/56/11/48/1344561148.db2.gz FVHNAGRSZPNERZ-UHFFFAOYSA-N -1 3 345.366 2.035 20 30 EEEDHM Cc1cc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)ncc1-c1nnn[n-]1 ZINC001580981367 1344578216 /nfs/dbraw/zinc/57/82/16/1344578216.db2.gz FZASYTZXINLJJP-NSHDSACASA-N -1 3 348.370 2.325 20 30 EEEDHM Cc1cc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)ncc1-c1nn[n-]n1 ZINC001580981367 1344578223 /nfs/dbraw/zinc/57/82/23/1344578223.db2.gz FZASYTZXINLJJP-NSHDSACASA-N -1 3 348.370 2.325 20 30 EEEDHM N#Cc1c[nH]c2cc(C(=O)NCc3cccc(-c4nnn[n-]4)c3)ccc12 ZINC001581863587 1344681559 /nfs/dbraw/zinc/68/15/59/1344681559.db2.gz WUQDPNDANNKAKZ-UHFFFAOYSA-N -1 3 343.350 2.150 20 30 EEEDHM N#Cc1c[nH]c2cc(C(=O)NCc3cccc(-c4nn[n-]n4)c3)ccc12 ZINC001581863587 1344681563 /nfs/dbraw/zinc/68/15/63/1344681563.db2.gz WUQDPNDANNKAKZ-UHFFFAOYSA-N -1 3 343.350 2.150 20 30 EEEDHM N#Cc1cccc2c1CCCN2C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001581875558 1344683614 /nfs/dbraw/zinc/68/36/14/1344683614.db2.gz FBHYJYHSSRVZGI-UHFFFAOYSA-N -1 3 336.380 2.393 20 30 EEEDHM N#Cc1cccc2c1CCCN2C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001581875558 1344683615 /nfs/dbraw/zinc/68/36/15/1344683615.db2.gz FBHYJYHSSRVZGI-UHFFFAOYSA-N -1 3 336.380 2.393 20 30 EEEDHM C#C[C@@H](CCC)NC(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588327761 1348886747 /nfs/dbraw/zinc/88/67/47/1348886747.db2.gz QIHYBJUSGCSKGX-NSHDSACASA-N -1 3 332.795 2.121 20 30 EEEDHM C#C[C@@H](CCC)NC(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588327761 1348886750 /nfs/dbraw/zinc/88/67/50/1348886750.db2.gz QIHYBJUSGCSKGX-NSHDSACASA-N -1 3 332.795 2.121 20 30 EEEDHM C#CCC(C)(C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC001588330935 1348889566 /nfs/dbraw/zinc/88/95/66/1348889566.db2.gz MECCESZPXKIPAH-UHFFFAOYSA-N -1 3 348.750 2.416 20 30 EEEDHM C#CCC(C)(C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC001588330935 1348889572 /nfs/dbraw/zinc/88/95/72/1348889572.db2.gz MECCESZPXKIPAH-UHFFFAOYSA-N -1 3 348.750 2.416 20 30 EEEDHM C#CC[C@H](CCOC)Nc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001588331317 1348890135 /nfs/dbraw/zinc/89/01/35/1348890135.db2.gz NFVWJFPQOJFXEZ-SNVBAGLBSA-N -1 3 328.401 2.317 20 30 EEEDHM C#CC[C@H](CCOC)Nc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001588331317 1348890141 /nfs/dbraw/zinc/89/01/41/1348890141.db2.gz NFVWJFPQOJFXEZ-SNVBAGLBSA-N -1 3 328.401 2.317 20 30 EEEDHM C#C[C@H]1CC[C@H](Nc2nnc(CC)c(CC)c2-c2nnn[n-]2)CC1 ZINC001588365258 1348896126 /nfs/dbraw/zinc/89/61/26/1348896126.db2.gz RKBLHNHXHULUSE-HAQNSBGRSA-N -1 3 325.420 2.385 20 30 EEEDHM C#C[C@H]1CC[C@H](Nc2nnc(CC)c(CC)c2-c2nn[n-]n2)CC1 ZINC001588365258 1348896130 /nfs/dbraw/zinc/89/61/30/1348896130.db2.gz RKBLHNHXHULUSE-HAQNSBGRSA-N -1 3 325.420 2.385 20 30 EEEDHM C#Cc1ccc(CNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588373239 1348897089 /nfs/dbraw/zinc/89/70/89/1348897089.db2.gz FIDBMTNZCRSEDN-CYBMUJFWSA-N -1 3 346.394 2.408 20 30 EEEDHM C#Cc1ccc(CNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588373239 1348897091 /nfs/dbraw/zinc/89/70/91/1348897091.db2.gz FIDBMTNZCRSEDN-CYBMUJFWSA-N -1 3 346.394 2.408 20 30 EEEDHM c1cc(N=NCC2([C@H]3CCCCO3)CCC2)ncc1-c1nnn[n-]1 ZINC001588381616 1348898857 /nfs/dbraw/zinc/89/88/57/1348898857.db2.gz LHMNPHDHVXGSFR-CYBMUJFWSA-N -1 3 327.392 2.399 20 30 EEEDHM c1cc(N=NCC2([C@H]3CCCCO3)CCC2)ncc1-c1nn[n-]n1 ZINC001588381616 1348898864 /nfs/dbraw/zinc/89/88/64/1348898864.db2.gz LHMNPHDHVXGSFR-CYBMUJFWSA-N -1 3 327.392 2.399 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001588401874 1348901607 /nfs/dbraw/zinc/90/16/07/1348901607.db2.gz ZBLRXLDNDKYUFN-SMDDNHRTSA-N -1 3 347.806 2.231 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001588401874 1348901610 /nfs/dbraw/zinc/90/16/10/1348901610.db2.gz ZBLRXLDNDKYUFN-SMDDNHRTSA-N -1 3 347.806 2.231 20 30 EEEDHM C=C(CC(C)C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588441938 1348905279 /nfs/dbraw/zinc/90/52/79/1348905279.db2.gz JYGJLIAAHQZWJI-UHFFFAOYSA-N -1 3 340.431 2.118 20 30 EEEDHM C=CC(C)(C)CC(=O)NC[C@H](CC)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001588483700 1348908503 /nfs/dbraw/zinc/90/85/03/1348908503.db2.gz PFQJCJCFTOOELE-LBPRGKRZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CC(C)(C)CC(=O)NC[C@H](CC)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001588483700 1348908505 /nfs/dbraw/zinc/90/85/05/1348908505.db2.gz PFQJCJCFTOOELE-LBPRGKRZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CC(C)(C)CNC(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001588488454 1348908793 /nfs/dbraw/zinc/90/87/93/1348908793.db2.gz ILVWDOAAHJZGFO-UHFFFAOYSA-N -1 3 338.371 2.464 20 30 EEEDHM C=CC(C)(C)CNC(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001588488454 1348908795 /nfs/dbraw/zinc/90/87/95/1348908795.db2.gz ILVWDOAAHJZGFO-UHFFFAOYSA-N -1 3 338.371 2.464 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N1CCO[C@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588521831 1348912188 /nfs/dbraw/zinc/91/21/88/1348912188.db2.gz UJCSFSKJVBONHJ-BBRMVZONSA-N -1 3 341.415 2.369 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N1CCO[C@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588521831 1348912193 /nfs/dbraw/zinc/91/21/93/1348912193.db2.gz UJCSFSKJVBONHJ-BBRMVZONSA-N -1 3 341.415 2.369 20 30 EEEDHM C=C[C@H](C)ONC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001588519340 1348912641 /nfs/dbraw/zinc/91/26/41/1348912641.db2.gz XZVHUYCFEYBPIO-LBPRGKRZSA-N -1 3 330.392 2.293 20 30 EEEDHM C=C[C@H](C)ONC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001588519340 1348912644 /nfs/dbraw/zinc/91/26/44/1348912644.db2.gz XZVHUYCFEYBPIO-LBPRGKRZSA-N -1 3 330.392 2.293 20 30 EEEDHM C=C[C@@H]1CCCCN1C(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588527491 1348913583 /nfs/dbraw/zinc/91/35/83/1348913583.db2.gz LPCRTYDXQFMPCY-JKSUJKDBSA-N -1 3 338.415 2.084 20 30 EEEDHM C=C[C@@H]1CCCCN1C(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588527491 1348913587 /nfs/dbraw/zinc/91/35/87/1348913587.db2.gz LPCRTYDXQFMPCY-JKSUJKDBSA-N -1 3 338.415 2.084 20 30 EEEDHM C=CC[C@H]1CCN1C(=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001588564557 1348918171 /nfs/dbraw/zinc/91/81/71/1348918171.db2.gz OEWWBRDKCDUBJF-JTQLQIEISA-N -1 3 348.204 2.420 20 30 EEEDHM C=CC[C@H]1CCN1C(=O)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001588564557 1348918176 /nfs/dbraw/zinc/91/81/76/1348918176.db2.gz OEWWBRDKCDUBJF-JTQLQIEISA-N -1 3 348.204 2.420 20 30 EEEDHM C=CCCCCCNC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC001588596423 1348922861 /nfs/dbraw/zinc/92/28/61/1348922861.db2.gz QFHJNENKVVYYSZ-UHFFFAOYSA-N -1 3 345.403 2.117 20 30 EEEDHM C=CCCCCCNC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC001588596423 1348922869 /nfs/dbraw/zinc/92/28/69/1348922869.db2.gz QFHJNENKVVYYSZ-UHFFFAOYSA-N -1 3 345.403 2.117 20 30 EEEDHM C=CCN(CCOC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588632176 1348925232 /nfs/dbraw/zinc/92/52/32/1348925232.db2.gz LSNJXRNVMBPSFK-UHFFFAOYSA-N -1 3 336.783 2.186 20 30 EEEDHM C=CCN(CCOC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588632176 1348925236 /nfs/dbraw/zinc/92/52/36/1348925236.db2.gz LSNJXRNVMBPSFK-UHFFFAOYSA-N -1 3 336.783 2.186 20 30 EEEDHM C=CCNC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC001588658715 1348928486 /nfs/dbraw/zinc/92/84/86/1348928486.db2.gz QXMCMEHJLSRYRM-UHFFFAOYSA-N -1 3 341.400 2.222 20 30 EEEDHM C=CCNC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC001588658715 1348928490 /nfs/dbraw/zinc/92/84/90/1348928490.db2.gz QXMCMEHJLSRYRM-UHFFFAOYSA-N -1 3 341.400 2.222 20 30 EEEDHM C=CCn1c(C(F)F)nnc1N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588703732 1348929838 /nfs/dbraw/zinc/92/98/38/1348929838.db2.gz DZFVSZDYMVYZHK-UHFFFAOYSA-N -1 3 346.345 2.218 20 30 EEEDHM C=CCn1c(C(F)F)nnc1N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588703732 1348929841 /nfs/dbraw/zinc/92/98/41/1348929841.db2.gz DZFVSZDYMVYZHK-UHFFFAOYSA-N -1 3 346.345 2.218 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001588728456 1348931135 /nfs/dbraw/zinc/93/11/35/1348931135.db2.gz QVIDFSLVYSCKLA-CABCVRRESA-N -1 3 340.387 2.209 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001588728456 1348931140 /nfs/dbraw/zinc/93/11/40/1348931140.db2.gz QVIDFSLVYSCKLA-CABCVRRESA-N -1 3 340.387 2.209 20 30 EEEDHM CC#CCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588746845 1348932013 /nfs/dbraw/zinc/93/20/13/1348932013.db2.gz YQLNTUUOYZGRHL-UHFFFAOYSA-N -1 3 329.316 2.012 20 30 EEEDHM CC#CCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588746845 1348932017 /nfs/dbraw/zinc/93/20/17/1348932017.db2.gz YQLNTUUOYZGRHL-UHFFFAOYSA-N -1 3 329.316 2.012 20 30 EEEDHM CC(N=Nc1ncncc1Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588781098 1348934993 /nfs/dbraw/zinc/93/49/93/1348934993.db2.gz DIJNLKQXZLUFOM-UHFFFAOYSA-N -1 3 332.730 2.285 20 30 EEEDHM CC(N=Nc1ncncc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588781098 1348934997 /nfs/dbraw/zinc/93/49/97/1348934997.db2.gz DIJNLKQXZLUFOM-UHFFFAOYSA-N -1 3 332.730 2.285 20 30 EEEDHM Cc1nn(C(C)C)c(C)c1C(C)N=Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588781048 1348935490 /nfs/dbraw/zinc/93/54/90/1348935490.db2.gz ZQARHEHWBSHSTG-UHFFFAOYSA-N -1 3 339.407 2.492 20 30 EEEDHM Cc1nn(C(C)C)c(C)c1C(C)N=Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588781048 1348935494 /nfs/dbraw/zinc/93/54/94/1348935494.db2.gz ZQARHEHWBSHSTG-UHFFFAOYSA-N -1 3 339.407 2.492 20 30 EEEDHM C[C@@H](C#N)N(Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)C1CC1 ZINC001588934491 1348949062 /nfs/dbraw/zinc/94/90/62/1348949062.db2.gz NQDRMLZLXOBPQY-VIFPVBQESA-N -1 3 334.330 2.345 20 30 EEEDHM C[C@@H](C#N)N(Cc1ccc(-c2nn[n-]n2)cc1OC(F)F)C1CC1 ZINC001588934491 1348949066 /nfs/dbraw/zinc/94/90/66/1348949066.db2.gz NQDRMLZLXOBPQY-VIFPVBQESA-N -1 3 334.330 2.345 20 30 EEEDHM C[C@@H](C#N)CN(C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1)C1CC1 ZINC001588931164 1348949356 /nfs/dbraw/zinc/94/93/56/1348949356.db2.gz ROVLJOSMYCEEMM-JTQLQIEISA-N -1 3 346.341 2.109 20 30 EEEDHM C[C@@H](C#N)CN(C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1)C1CC1 ZINC001588931164 1348949358 /nfs/dbraw/zinc/94/93/58/1348949358.db2.gz ROVLJOSMYCEEMM-JTQLQIEISA-N -1 3 346.341 2.109 20 30 EEEDHM CC(C)(C)C1CCC(C#N)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001589099534 1348958533 /nfs/dbraw/zinc/95/85/33/1348958533.db2.gz OBPNUWXIJUSLEJ-UHFFFAOYSA-N -1 3 341.419 2.423 20 30 EEEDHM CC(C)(C)C1CCC(C#N)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001589099534 1348958536 /nfs/dbraw/zinc/95/85/36/1348958536.db2.gz OBPNUWXIJUSLEJ-UHFFFAOYSA-N -1 3 341.419 2.423 20 30 EEEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC001590023109 1349113126 /nfs/dbraw/zinc/11/31/26/1349113126.db2.gz KDVDOSSXJSRDGM-GFCCVEGCSA-N -1 3 348.366 2.169 20 30 EEEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC001590023109 1349113131 /nfs/dbraw/zinc/11/31/31/1349113131.db2.gz KDVDOSSXJSRDGM-GFCCVEGCSA-N -1 3 348.366 2.169 20 30 EEEDHM Cc1cc(COC(=O)Cc2cccc(C#N)c2)ccc1-c1nnn[n-]1 ZINC001591972913 1349573256 /nfs/dbraw/zinc/57/32/56/1349573256.db2.gz YHAMHPHAODWVSP-UHFFFAOYSA-N -1 3 333.351 2.333 20 30 EEEDHM Cc1cc(COC(=O)Cc2cccc(C#N)c2)ccc1-c1nn[n-]n1 ZINC001591972913 1349573261 /nfs/dbraw/zinc/57/32/61/1349573261.db2.gz YHAMHPHAODWVSP-UHFFFAOYSA-N -1 3 333.351 2.333 20 30 EEEDHM Cc1n[nH]cc1C=NNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001592331586 1349621749 /nfs/dbraw/zinc/62/17/49/1349621749.db2.gz JIODDOBFCYUMMB-UHFFFAOYSA-N -1 3 336.281 2.363 20 30 EEEDHM 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C=CCn1c(SCc2ccc(-c3nn[n-]n3)cn2)nnc1C1CC1 ZINC001602882869 1350600386 /nfs/dbraw/zinc/60/03/86/1350600386.db2.gz YGCBEUCXQSYOGJ-UHFFFAOYSA-N -1 3 340.416 2.209 20 30 EEEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@H](CC#N)C1 ZINC001603583629 1350724746 /nfs/dbraw/zinc/72/47/46/1350724746.db2.gz ZNMYPJSNPVVGDL-UKRRQHHQSA-N -1 3 338.415 2.198 20 30 EEEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@H](CC#N)C1 ZINC001603583629 1350724749 /nfs/dbraw/zinc/72/47/49/1350724749.db2.gz ZNMYPJSNPVVGDL-UKRRQHHQSA-N -1 3 338.415 2.198 20 30 EEEDHM CC1(C)C(NC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1(C)C ZINC001603755772 1350758917 /nfs/dbraw/zinc/75/89/17/1350758917.db2.gz AVIACMXJGHEUMV-ZDUSSCGKSA-N -1 3 338.415 2.100 20 30 EEEDHM CCN(C[C@@H](C)C#N)C(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001604274055 1350906749 /nfs/dbraw/zinc/90/67/49/1350906749.db2.gz GGEWPEIOUKIWQJ-NSHDSACASA-N -1 3 344.394 2.292 20 30 EEEDHM CCN(C[C@@H](C)C#N)C(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001604274055 1350906750 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C=CC[C@H]1CCCN(c2nc3c(cc2-c2nnn[n-]2)COCC3)C1 ZINC001588560368 1348916750 /nfs/dbraw/zinc/91/67/50/1348916750.db2.gz POEAEBKILZJBSP-LBPRGKRZSA-N -1 3 326.404 2.127 20 30 EEEDHM C=CC[C@H]1CCCN(c2nc3c(cc2-c2nn[n-]n2)COCC3)C1 ZINC001588560368 1348916751 /nfs/dbraw/zinc/91/67/51/1348916751.db2.gz POEAEBKILZJBSP-LBPRGKRZSA-N -1 3 326.404 2.127 20 30 EEEDHM C=CCCN(C)C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588603801 1348922839 /nfs/dbraw/zinc/92/28/39/1348922839.db2.gz WGTXVOLKCYFDCQ-HNNXBMFYSA-N -1 3 326.404 2.462 20 30 EEEDHM C=CCCN(C)C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588603801 1348922844 /nfs/dbraw/zinc/92/28/44/1348922844.db2.gz WGTXVOLKCYFDCQ-HNNXBMFYSA-N -1 3 326.404 2.462 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)[C@@H]1CCCO1 ZINC001588638505 1348924898 /nfs/dbraw/zinc/92/48/98/1348924898.db2.gz DLKXCYVOIUXYFN-CJNGLKHVSA-N -1 3 341.415 2.196 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)[C@@H]1CCCO1 ZINC001588638505 1348924901 /nfs/dbraw/zinc/92/49/01/1348924901.db2.gz DLKXCYVOIUXYFN-CJNGLKHVSA-N -1 3 341.415 2.196 20 30 EEEDHM C=CCNC(=S)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC001588662879 1348928527 /nfs/dbraw/zinc/92/85/27/1348928527.db2.gz CFBHQNZADFAEFA-UHFFFAOYSA-N -1 3 330.461 2.385 20 30 EEEDHM C=CCNC(=S)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC001588662879 1348928532 /nfs/dbraw/zinc/92/85/32/1348928532.db2.gz CFBHQNZADFAEFA-UHFFFAOYSA-N -1 3 330.461 2.385 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1CNc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC001588725638 1348930837 /nfs/dbraw/zinc/93/08/37/1348930837.db2.gz JADQPRGXVMUALS-WFASDCNBSA-N -1 3 337.387 2.055 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1CNc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC001588725638 1348930841 /nfs/dbraw/zinc/93/08/41/1348930841.db2.gz JADQPRGXVMUALS-WFASDCNBSA-N -1 3 337.387 2.055 20 30 EEEDHM CC#CCCNc1c(-c2nnn[n-]2)cnc2c(OC)cc(OC)cc21 ZINC001588746046 1348931416 /nfs/dbraw/zinc/93/14/16/1348931416.db2.gz LEFQUYVAHSHPCQ-UHFFFAOYSA-N -1 3 338.371 2.257 20 30 EEEDHM CC#CCCNc1c(-c2nn[n-]n2)cnc2c(OC)cc(OC)cc21 ZINC001588746046 1348931419 /nfs/dbraw/zinc/93/14/19/1348931419.db2.gz LEFQUYVAHSHPCQ-UHFFFAOYSA-N -1 3 338.371 2.257 20 30 EEEDHM CC(C)(CCC#N)CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001589272458 1348977443 /nfs/dbraw/zinc/97/74/43/1348977443.db2.gz MUUFLYKFTXAWIK-UHFFFAOYSA-N -1 3 331.355 2.457 20 30 EEEDHM CC(C)(CCC#N)CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001589272458 1348977444 /nfs/dbraw/zinc/97/74/44/1348977444.db2.gz MUUFLYKFTXAWIK-UHFFFAOYSA-N -1 3 331.355 2.457 20 30 EEEDHM CC[C@H](C#N)N(CC)C(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590368105 1349288012 /nfs/dbraw/zinc/28/80/12/1349288012.db2.gz VXGOJRVWFILJCE-IUODEOHRSA-N -1 3 326.404 2.196 20 30 EEEDHM CC[C@H](C#N)N(CC)C(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590368105 1349288016 /nfs/dbraw/zinc/28/80/16/1349288016.db2.gz VXGOJRVWFILJCE-IUODEOHRSA-N -1 3 326.404 2.196 20 30 EEEDHM Cc1ccc(C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC001592131127 1349593856 /nfs/dbraw/zinc/59/38/56/1349593856.db2.gz IYCVBNBDFOTDIS-UHFFFAOYSA-N -1 3 349.350 2.283 20 30 EEEDHM C#CCn1ccc(CN(CC)Cc2ccc(-c3nn[n-]n3)c(C)c2)n1 ZINC001602733031 1350578314 /nfs/dbraw/zinc/57/83/14/1350578314.db2.gz QHSSTEYSWQOOPG-UHFFFAOYSA-N -1 3 335.415 2.027 20 30 EEEDHM C=C(C)[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1C(C)=O)OCC ZINC001602753691 1350581111 /nfs/dbraw/zinc/58/11/11/1350581111.db2.gz RTAVAKMDXFXDRM-HNNXBMFYSA-N -1 3 343.387 2.379 20 30 EEEDHM C=C(C)[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1C(C)=O)OCC ZINC001602753691 1350581114 /nfs/dbraw/zinc/58/11/14/1350581114.db2.gz RTAVAKMDXFXDRM-HNNXBMFYSA-N -1 3 343.387 2.379 20 30 EEEDHM C=C(C)[C@H](CC(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1)OCC ZINC001602753325 1350581478 /nfs/dbraw/zinc/58/14/78/1350581478.db2.gz OCKSVKQXIMSGEP-HNNXBMFYSA-N -1 3 329.404 2.163 20 30 EEEDHM C=C(C)[C@H](CC(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1)OCC ZINC001602753325 1350581483 /nfs/dbraw/zinc/58/14/83/1350581483.db2.gz OCKSVKQXIMSGEP-HNNXBMFYSA-N -1 3 329.404 2.163 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNc1nc2ncccc2cc1-c1nnn[n-]1 ZINC001602753343 1350581733 /nfs/dbraw/zinc/58/17/33/1350581733.db2.gz OELAGZFETXIMDR-GXTWGEPZSA-N -1 3 337.387 2.203 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNc1nc2ncccc2cc1-c1nn[n-]n1 ZINC001602753343 1350581736 /nfs/dbraw/zinc/58/17/36/1350581736.db2.gz OELAGZFETXIMDR-GXTWGEPZSA-N -1 3 337.387 2.203 20 30 EEEDHM C=C(C)CN1CCC(NC(=O)NCc2ccc(C(=O)[O-])cc2F)CC1 ZINC001602762331 1350583209 /nfs/dbraw/zinc/58/32/09/1350583209.db2.gz HQPOYPRZVRANEV-UHFFFAOYSA-N -1 3 349.406 2.364 20 30 EEEDHM C=C(C)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(C)C1CC1 ZINC001602763152 1350583357 /nfs/dbraw/zinc/58/33/57/1350583357.db2.gz DHLCCDBGCSHTTN-UHFFFAOYSA-N -1 3 336.403 2.300 20 30 EEEDHM C=C(C)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(C)C1CC1 ZINC001602763152 1350583359 /nfs/dbraw/zinc/58/33/59/1350583359.db2.gz DHLCCDBGCSHTTN-UHFFFAOYSA-N -1 3 336.403 2.300 20 30 EEEDHM C=CCC(C)(C)C(=O)N(C)CCNc1cccc(F)c1-c1nnn[n-]1 ZINC001602807091 1350589208 /nfs/dbraw/zinc/58/92/08/1350589208.db2.gz GVVKKAJFZZORDU-UHFFFAOYSA-N -1 3 346.410 2.478 20 30 EEEDHM C=CCC(C)(C)C(=O)N(C)CCNc1cccc(F)c1-c1nn[n-]n1 ZINC001602807091 1350589211 /nfs/dbraw/zinc/58/92/11/1350589211.db2.gz GVVKKAJFZZORDU-UHFFFAOYSA-N -1 3 346.410 2.478 20 30 EEEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccnc(F)c1 ZINC001602907999 1350604214 /nfs/dbraw/zinc/60/42/14/1350604214.db2.gz FUBTZYHNBNCKIO-UHFFFAOYSA-N -1 3 332.730 2.285 20 30 EEEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccnc(F)c1 ZINC001602907999 1350604219 /nfs/dbraw/zinc/60/42/19/1350604219.db2.gz FUBTZYHNBNCKIO-UHFFFAOYSA-N -1 3 332.730 2.285 20 30 EEEDHM C[C@H](C#N)Oc1ccccc1NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001602989445 1350619274 /nfs/dbraw/zinc/61/92/74/1350619274.db2.gz RGYRVTMRTTTWCJ-SECBINFHSA-N -1 3 340.368 2.471 20 30 EEEDHM C[C@@H]1C[C@@H](NN=C2CCc3ccc(-c4nnn[n-]4)cc32)C[C@H](C)O1 ZINC001603860274 1350785261 /nfs/dbraw/zinc/78/52/61/1350785261.db2.gz AJNYAKXMTIVSRC-GNXNZQSNSA-N -1 3 326.404 2.063 20 30 EEEDHM C[C@@H]1C[C@@H](NN=C2CCc3ccc(-c4nn[n-]n4)cc32)C[C@H](C)O1 ZINC001603860274 1350785262 /nfs/dbraw/zinc/78/52/62/1350785262.db2.gz AJNYAKXMTIVSRC-GNXNZQSNSA-N -1 3 326.404 2.063 20 30 EEEDHM CCc1ccc(C#CC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001604518541 1350954013 /nfs/dbraw/zinc/95/40/13/1350954013.db2.gz PECILQFEXZPFPS-UHFFFAOYSA-N -1 3 345.406 2.439 20 30 EEEDHM CCc1ccc(C#CC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001604518541 1350954014 /nfs/dbraw/zinc/95/40/14/1350954014.db2.gz PECILQFEXZPFPS-UHFFFAOYSA-N -1 3 345.406 2.439 20 30 EEEDHM CN(Cc1cc(C#N)cs1)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001604801695 1351009163 /nfs/dbraw/zinc/00/91/63/1351009163.db2.gz RKJAJLXUCLUDFT-UHFFFAOYSA-N -1 3 338.396 2.001 20 30 EEEDHM CN(Cc1cc(C#N)cs1)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001604801695 1351009168 /nfs/dbraw/zinc/00/91/68/1351009168.db2.gz RKJAJLXUCLUDFT-UHFFFAOYSA-N -1 3 338.396 2.001 20 30 EEEDHM CN(Cc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604808575 1351012233 /nfs/dbraw/zinc/01/22/33/1351012233.db2.gz CCZKSVRKWOTPGP-UHFFFAOYSA-N -1 3 335.327 2.283 20 30 EEEDHM CN(Cc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604808575 1351012235 /nfs/dbraw/zinc/01/22/35/1351012235.db2.gz CCZKSVRKWOTPGP-UHFFFAOYSA-N -1 3 335.327 2.283 20 30 EEEDHM COc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)ccc1C#N ZINC001605199806 1351101261 /nfs/dbraw/zinc/10/12/61/1351101261.db2.gz FTUQGXDPKZEQLC-UHFFFAOYSA-N -1 3 338.302 2.138 20 30 EEEDHM COc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)ccc1C#N ZINC001605199806 1351101264 /nfs/dbraw/zinc/10/12/64/1351101264.db2.gz FTUQGXDPKZEQLC-UHFFFAOYSA-N -1 3 338.302 2.138 20 30 EEEDHM COc1ccccc1C=NOCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001605331654 1351138430 /nfs/dbraw/zinc/13/84/30/1351138430.db2.gz JIODRCRGGCOFCM-UHFFFAOYSA-N -1 3 339.355 2.305 20 30 EEEDHM Cc1cc(C#N)cc(NC(=O)c2c(C)cc(-c3nnn[n-]3)cc2C)n1 ZINC001605588996 1351195828 /nfs/dbraw/zinc/19/58/28/1351195828.db2.gz RTXXGBAIVBVYTM-UHFFFAOYSA-N -1 3 333.355 2.311 20 30 EEEDHM Cc1cc(C#N)cc(NC(=O)c2c(C)cc(-c3nn[n-]n3)cc2C)n1 ZINC001605588996 1351195829 /nfs/dbraw/zinc/19/58/29/1351195829.db2.gz RTXXGBAIVBVYTM-UHFFFAOYSA-N -1 3 333.355 2.311 20 30 EEEDHM N#CCOc1ccc(CN2CCc3c2cccc3-c2nnn[n-]2)cc1 ZINC001606350234 1351296610 /nfs/dbraw/zinc/29/66/10/1351296610.db2.gz SFDNRRSMPBSOPV-UHFFFAOYSA-N -1 3 332.367 2.332 20 30 EEEDHM N#CCOc1ccc(CN2CCc3c2cccc3-c2nn[n-]n2)cc1 ZINC001606350234 1351296613 /nfs/dbraw/zinc/29/66/13/1351296613.db2.gz SFDNRRSMPBSOPV-UHFFFAOYSA-N -1 3 332.367 2.332 20 30 EEEDHM N#Cc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cn2)ccc1Cl ZINC001606361859 1351297044 /nfs/dbraw/zinc/29/70/44/1351297044.db2.gz NIOVYPYGDFXPDR-UHFFFAOYSA-N -1 3 340.730 2.144 20 30 EEEDHM N#Cc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cn2)ccc1Cl ZINC001606361859 1351297047 /nfs/dbraw/zinc/29/70/47/1351297047.db2.gz NIOVYPYGDFXPDR-UHFFFAOYSA-N -1 3 340.730 2.144 20 30 EEEDHM N#CC(C(=O)Nc1ccccc1Cl)C(=O)c1cncc(C(=O)[O-])c1 ZINC001608170079 1351639752 /nfs/dbraw/zinc/63/97/52/1351639752.db2.gz IRIDUIHVAKYDKN-NSHDSACASA-N -1 3 343.726 2.394 20 30 EEEDHM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(OCC#N)cc1 ZINC001649858409 1353628711 /nfs/dbraw/zinc/62/87/11/1353628711.db2.gz JRQQRYXTOSIPAN-AWEZNQCLSA-N -1 3 340.401 2.062 20 30 EEEDHM CSCCNC(=S)NN=Cc1ccc(Br)cc1[O-] ZINC000853327499 1369327142 /nfs/dbraw/zinc/32/71/42/1369327142.db2.gz PNOUOUKZPBNMEI-UHFFFAOYSA-N -1 3 348.291 2.316 20 30 EEEDHM COc1cccc([C@H](C/N=C\c2c([O-])c(C)ncc2CO)OC)c1 ZINC000864345108 1369594130 /nfs/dbraw/zinc/59/41/30/1369594130.db2.gz OMZRGPMAONRCJA-DUPIZPNJSA-N -1 3 330.384 2.403 20 30 EEEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1nccs1 ZINC001121607215 1371906469 /nfs/dbraw/zinc/90/64/69/1371906469.db2.gz JQNNNLPEXDEQCY-UHFFFAOYSA-N -1 3 343.416 2.028 20 30 EEEDHM C=C[C@H](COC)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001342728366 1372951714 /nfs/dbraw/zinc/95/17/14/1372951714.db2.gz MZHRBWGZACUPMN-SECBINFHSA-N -1 3 327.299 2.324 20 30 EEEDHM COc1ccc(-c2cc(C[N-]S(=O)(=O)CC(C)(C)C#N)on2)cc1 ZINC001364029818 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Cc1cccc(Oc2ccc(C(=O)N[C@H]3CCCN([O-])C3=O)nc2)c1 ZINC000848131321 1338528629 /nfs/dbraw/zinc/52/86/29/1338528629.db2.gz CMCUMMPZMMEOSE-INIZCTEOSA-N -1 3 341.367 2.292 20 30 EEEDHM C#C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)C(C)C ZINC001358227247 1339035757 /nfs/dbraw/zinc/03/57/57/1339035757.db2.gz BXTYZUQZAASWOW-ZDUSSCGKSA-N -1 3 328.821 2.099 20 30 EEEDHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1cccc(C#N)c1 ZINC001575305120 1343770820 /nfs/dbraw/zinc/77/08/20/1343770820.db2.gz VHEMHHQAUXSTIW-JTQLQIEISA-N -1 3 334.343 2.016 20 30 EEEDHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1cccc(C#N)c1 ZINC001575305120 1343770822 /nfs/dbraw/zinc/77/08/22/1343770822.db2.gz VHEMHHQAUXSTIW-JTQLQIEISA-N -1 3 334.343 2.016 20 30 EEEDHM C=CCSCC[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F ZINC000848432122 1373149922 /nfs/dbraw/zinc/14/99/22/1373149922.db2.gz ZIRSXKZECPVYAT-UHFFFAOYSA-N -1 3 347.433 2.118 20 30 EEEDHM C#C[C@H](C)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588324979 1348886260 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C(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc(-n2cccn2)cc1 ZINC001588381980 1348898997 /nfs/dbraw/zinc/89/89/97/1348898997.db2.gz ZFVCTORYPRGPNW-UHFFFAOYSA-N -1 3 330.355 2.498 20 30 EEEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc(-n2cccn2)cc1 ZINC001588381980 1348899000 /nfs/dbraw/zinc/89/90/00/1348899000.db2.gz ZFVCTORYPRGPNW-UHFFFAOYSA-N -1 3 330.355 2.498 20 30 EEEDHM C=C(C)CCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)[C@@H]1C ZINC001588412290 1348901907 /nfs/dbraw/zinc/90/19/07/1348901907.db2.gz VNAMLLGDOIUIKS-GXTWGEPZSA-N -1 3 341.419 2.019 20 30 EEEDHM C=C(C)CCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)[C@@H]1C ZINC001588412290 1348901912 /nfs/dbraw/zinc/90/19/12/1348901912.db2.gz VNAMLLGDOIUIKS-GXTWGEPZSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CC(C)(C)C(=O)N(C)CCN(C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001588468667 1348907389 /nfs/dbraw/zinc/90/73/89/1348907389.db2.gz MTHNISVXZXKHQI-UHFFFAOYSA-N -1 3 348.476 2.031 20 30 EEEDHM C=C[C@](C)(CC)C(=O)N[C@H](C)CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001588491112 1348908921 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C=CC[C@H](C)OC(=O)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001588539561 1348914362 /nfs/dbraw/zinc/91/43/62/1348914362.db2.gz PWVXDNWQFHNPQH-WCQYABFASA-N -1 3 345.378 2.340 20 30 EEEDHM C=CC[C@@H]1CCN1C(=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001588564558 1348917518 /nfs/dbraw/zinc/91/75/18/1348917518.db2.gz OEWWBRDKCDUBJF-SNVBAGLBSA-N -1 3 348.204 2.420 20 30 EEEDHM C=CC[C@@H]1CCN1C(=O)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001588564558 1348917522 /nfs/dbraw/zinc/91/75/22/1348917522.db2.gz OEWWBRDKCDUBJF-SNVBAGLBSA-N -1 3 348.204 2.420 20 30 EEEDHM C=CC[C@H]1CCN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001588565281 1348917831 /nfs/dbraw/zinc/91/78/31/1348917831.db2.gz YNBDKDHISQFGQH-AWEZNQCLSA-N -1 3 329.429 2.277 20 30 EEEDHM C=CC[C@H]1CCN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001588565281 1348917832 /nfs/dbraw/zinc/91/78/32/1348917832.db2.gz YNBDKDHISQFGQH-AWEZNQCLSA-N -1 3 329.429 2.277 20 30 EEEDHM C=CCCCC(=O)N[C@@H](C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001588587256 1348920767 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336.403 2.328 20 30 EEEDHM C=CCN(CCc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588635561 1348925409 /nfs/dbraw/zinc/92/54/09/1348925409.db2.gz NUQWPCJUTMETCI-UHFFFAOYSA-N -1 3 348.410 2.441 20 30 EEEDHM C=CCN(CCc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588635561 1348925410 /nfs/dbraw/zinc/92/54/10/1348925410.db2.gz NUQWPCJUTMETCI-UHFFFAOYSA-N -1 3 348.410 2.441 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)NCC1CC1 ZINC001588649254 1348927672 /nfs/dbraw/zinc/92/76/72/1348927672.db2.gz XQUZBNYZIDOYGU-UHFFFAOYSA-N -1 3 328.445 2.139 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)NCC1CC1 ZINC001588649254 1348927675 /nfs/dbraw/zinc/92/76/75/1348927675.db2.gz XQUZBNYZIDOYGU-UHFFFAOYSA-N -1 3 328.445 2.139 20 30 EEEDHM C=CCn1c([C@@H]2C[C@H]2C)nnc1N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001588703421 1348930033 /nfs/dbraw/zinc/93/00/33/1348930033.db2.gz PECXVBOYVZLRFO-BXUZGUMPSA-N -1 3 348.414 2.288 20 30 EEEDHM C=CCn1c([C@@H]2C[C@H]2C)nnc1N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001588703421 1348930037 /nfs/dbraw/zinc/93/00/37/1348930037.db2.gz PECXVBOYVZLRFO-BXUZGUMPSA-N -1 3 348.414 2.288 20 30 EEEDHM CC#CCCCC(=O)N(CCOC)c1ccc(-c2nnn[n-]2)cc1 ZINC001588739110 1348930898 /nfs/dbraw/zinc/93/08/98/1348930898.db2.gz YYWQBVJMIVVCDD-UHFFFAOYSA-N -1 3 327.388 2.040 20 30 EEEDHM CC#CCCCC(=O)N(CCOC)c1ccc(-c2nn[n-]n2)cc1 ZINC001588739110 1348930904 /nfs/dbraw/zinc/93/09/04/1348930904.db2.gz YYWQBVJMIVVCDD-UHFFFAOYSA-N -1 3 327.388 2.040 20 30 EEEDHM C[C@H](C#N)CNc1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001588934528 1348949496 /nfs/dbraw/zinc/94/94/96/1348949496.db2.gz OWEGEOLOOQJHAP-ZCFIWIBFSA-N -1 3 325.145 2.340 20 30 EEEDHM C[C@H](C#N)CNc1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001588934528 1348949498 /nfs/dbraw/zinc/94/94/98/1348949498.db2.gz OWEGEOLOOQJHAP-ZCFIWIBFSA-N -1 3 325.145 2.340 20 30 EEEDHM CC(C)(C)[C@H]1CCN(c2c(C#N)cccc2-c2nnn[n-]2)CCO1 ZINC001589104918 1348960860 /nfs/dbraw/zinc/96/08/60/1348960860.db2.gz KAQKMMWRDTXEHN-CQSZACIVSA-N -1 3 326.404 2.380 20 30 EEEDHM CC(C)(C)[C@H]1CCN(c2c(C#N)cccc2-c2nn[n-]n2)CCO1 ZINC001589104918 1348960861 /nfs/dbraw/zinc/96/08/61/1348960861.db2.gz KAQKMMWRDTXEHN-CQSZACIVSA-N -1 3 326.404 2.380 20 30 EEEDHM CC(C)(CC#N)CNC(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001589267290 1348976640 /nfs/dbraw/zinc/97/66/40/1348976640.db2.gz OFCAUYWLJMUMJM-UHFFFAOYSA-N -1 3 334.330 2.015 20 30 EEEDHM CC(C)(CC#N)CNC(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001589267290 1348976643 /nfs/dbraw/zinc/97/66/43/1348976643.db2.gz OFCAUYWLJMUMJM-UHFFFAOYSA-N -1 3 334.330 2.015 20 30 EEEDHM C[C@H](CC#N)C(=O)OCc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001589785922 1349041380 /nfs/dbraw/zinc/04/13/80/1349041380.db2.gz AMCJGBVMEFNXJE-MRVPVSSYSA-N -1 3 339.277 2.478 20 30 EEEDHM C[C@H](CC#N)C(=O)OCc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001589785922 1349041386 /nfs/dbraw/zinc/04/13/86/1349041386.db2.gz AMCJGBVMEFNXJE-MRVPVSSYSA-N -1 3 339.277 2.478 20 30 EEEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(CC#N)c1 ZINC001590024321 1349113982 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EEEDHM Cc1cc(CN=Nc2ccc(C(F)(F)F)nn2)ccc1-c1nnn[n-]1 ZINC001591958358 1349567239 /nfs/dbraw/zinc/56/72/39/1349567239.db2.gz BGBCUIXQWZUULV-UHFFFAOYSA-N -1 3 348.292 2.430 20 30 EEEDHM Cc1cc(CN=Nc2ccc(C(F)(F)F)nn2)ccc1-c1nn[n-]n1 ZINC001591958358 1349567244 /nfs/dbraw/zinc/56/72/44/1349567244.db2.gz BGBCUIXQWZUULV-UHFFFAOYSA-N -1 3 348.292 2.430 20 30 EEEDHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCC1(CC#N)CC1 ZINC001591990947 1349579230 /nfs/dbraw/zinc/57/92/30/1349579230.db2.gz PPQRPEWMLRFZLG-UHFFFAOYSA-N -1 3 337.362 2.390 20 30 EEEDHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCC1(CC#N)CC1 ZINC001591990947 1349579234 /nfs/dbraw/zinc/57/92/34/1349579234.db2.gz PPQRPEWMLRFZLG-UHFFFAOYSA-N -1 3 337.362 2.390 20 30 EEEDHM Cc1nn(C)c(C)c1C[C@@H](C)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001592427947 1349629776 /nfs/dbraw/zinc/62/97/76/1349629776.db2.gz XIXUIHLGVIKTSW-SNVBAGLBSA-N -1 3 336.403 2.132 20 30 EEEDHM Cc1nn(C)c(C)c1C[C@@H](C)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001592427947 1349629778 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EEEDHM COc1cc(OCc2ccc(C#N)c(F)c2)ccc1-c1nnn[n-]1 ZINC001605237021 1351113026 /nfs/dbraw/zinc/11/30/26/1351113026.db2.gz SPLVLLFVOKSIMG-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM COc1cc(OCc2ccc(C#N)c(F)c2)ccc1-c1nn[n-]n1 ZINC001605237021 1351113028 /nfs/dbraw/zinc/11/30/28/1351113028.db2.gz SPLVLLFVOKSIMG-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)N(CCC#N)CC1CC1 ZINC001605515678 1351176604 /nfs/dbraw/zinc/17/66/04/1351176604.db2.gz LNXYPDROMPCUOC-UHFFFAOYSA-N -1 3 338.415 2.178 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)N(CCC#N)CC1CC1 ZINC001605515678 1351176606 /nfs/dbraw/zinc/17/66/06/1351176606.db2.gz LNXYPDROMPCUOC-UHFFFAOYSA-N -1 3 338.415 2.178 20 30 EEEDHM N#C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccccc1F ZINC001606337542 1351294405 /nfs/dbraw/zinc/29/44/05/1351294405.db2.gz KIQKTAZZQXKAPQ-CYBMUJFWSA-N -1 3 336.330 2.327 20 30 EEEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccccc1F ZINC001606337542 1351294408 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CN(C)Cc1ccc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)cc1 ZINC000556304759 468519996 /nfs/dbraw/zinc/51/99/96/468519996.db2.gz VHUCDHPSAOIWSC-UHFFFAOYSA-N -1 3 330.413 2.010 20 30 EEEDHM OCc1nc(SCC#Cc2ccc(OC(F)(F)F)cc2)n[n-]1 ZINC000570150752 468595299 /nfs/dbraw/zinc/59/52/99/468595299.db2.gz PDYQHLQEDJDACN-UHFFFAOYSA-N -1 3 329.303 2.339 20 30 EEEDHM N#CC(CCc1ccccc1)C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000597610725 468615352 /nfs/dbraw/zinc/61/53/52/468615352.db2.gz NDKMESHEGYCIHY-GJZGRUSLSA-N -1 3 340.383 2.254 20 30 EEEDHM CC[C@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000592081789 468615564 /nfs/dbraw/zinc/61/55/64/468615564.db2.gz CWQGLGIPEAPLJR-QWRGUYRKSA-N -1 3 330.837 2.287 20 30 EEEDHM COc1ccc([C@H](CN(C)C)NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000586842734 469077662 /nfs/dbraw/zinc/07/76/62/469077662.db2.gz OOVFKVGOUHUWTE-SFHVURJKSA-N -1 3 339.395 2.305 20 30 EEEDHM C[C@@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000611022050 469142131 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Fc1ccc(NN=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c(F)c1 ZINC000737655631 576325068 /nfs/dbraw/zinc/32/50/68/576325068.db2.gz AWVCPOWSUZLUTR-UHFFFAOYSA-N -1 3 340.297 2.239 20 30 EEEDHM Fc1ccc(NN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c(F)c1 ZINC000737655631 576325069 /nfs/dbraw/zinc/32/50/69/576325069.db2.gz AWVCPOWSUZLUTR-UHFFFAOYSA-N -1 3 340.297 2.239 20 30 EEEDHM N#Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)ccc1Cl ZINC000737708725 576503567 /nfs/dbraw/zinc/50/35/67/576503567.db2.gz IDAKJRGCHWQORR-UHFFFAOYSA-N -1 3 325.719 2.039 20 30 EEEDHM N#Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)ccc1Cl ZINC000737708725 576503570 /nfs/dbraw/zinc/50/35/70/576503570.db2.gz IDAKJRGCHWQORR-UHFFFAOYSA-N -1 3 325.719 2.039 20 30 EEEDHM CC(=O)Nc1cccc(OCC/N=C\c2ccc(O)c([O-])c2O)c1 ZINC000729149625 576604959 /nfs/dbraw/zinc/60/49/59/576604959.db2.gz MTAFFJZDGSGENT-ZDLGFXPLSA-N -1 3 330.340 2.260 20 30 EEEDHM COc1cccc([O-])c1/C=N\CCOc1ccc(S(C)(=O)=O)cc1 ZINC000729936105 576696074 /nfs/dbraw/zinc/69/60/74/576696074.db2.gz 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Brc1ccc(N=NCc2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000735368417 578149693 /nfs/dbraw/zinc/14/96/93/578149693.db2.gz MCFZDFDXCRVBIA-UHFFFAOYSA-N -1 3 344.176 2.470 20 30 EEEDHM Brc1ccc(N=NCc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000735368417 578149694 /nfs/dbraw/zinc/14/96/94/578149694.db2.gz MCFZDFDXCRVBIA-UHFFFAOYSA-N -1 3 344.176 2.470 20 30 EEEDHM C=CC[C@H](C)NC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000735409933 578150311 /nfs/dbraw/zinc/15/03/11/578150311.db2.gz PAFWBPLBPGTSPD-LBPRGKRZSA-N -1 3 345.403 2.115 20 30 EEEDHM C=CC[C@H](C)NC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000735409933 578150313 /nfs/dbraw/zinc/15/03/13/578150313.db2.gz PAFWBPLBPGTSPD-LBPRGKRZSA-N -1 3 345.403 2.115 20 30 EEEDHM C#CCOc1cccc(OC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000735388059 578151408 /nfs/dbraw/zinc/15/14/08/578151408.db2.gz QDTGVNZWVWMHFV-UHFFFAOYSA-N -1 3 326.337 2.159 20 30 EEEDHM C=CC1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000735402527 578152115 /nfs/dbraw/zinc/15/21/15/578152115.db2.gz DWCKJQMRNTVETI-NSHDSACASA-N -1 3 344.419 2.302 20 30 EEEDHM C=CC1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CC1 ZINC000735402527 578152116 /nfs/dbraw/zinc/15/21/16/578152116.db2.gz DWCKJQMRNTVETI-NSHDSACASA-N -1 3 344.419 2.302 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1cccnc1 ZINC000735419957 578152885 /nfs/dbraw/zinc/15/28/85/578152885.db2.gz KVVZYOGZXDBYEF-UHFFFAOYSA-N -1 3 334.383 2.019 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1cccnc1 ZINC000735419957 578152886 /nfs/dbraw/zinc/15/28/86/578152886.db2.gz KVVZYOGZXDBYEF-UHFFFAOYSA-N -1 3 334.383 2.019 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1=COCCC1 ZINC000735419022 578152990 /nfs/dbraw/zinc/15/29/90/578152990.db2.gz OVAKEJOMVYCJMU-UHFFFAOYSA-N -1 3 325.372 2.076 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1=COCCC1 ZINC000735419022 578152992 /nfs/dbraw/zinc/15/29/92/578152992.db2.gz OVAKEJOMVYCJMU-UHFFFAOYSA-N -1 3 325.372 2.076 20 30 EEEDHM C=CCOCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000735437000 578153660 /nfs/dbraw/zinc/15/36/60/578153660.db2.gz BYZDBNPQQDUZOK-VIFPVBQESA-N -1 3 333.417 2.194 20 30 EEEDHM C=CCOCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000735437000 578153661 /nfs/dbraw/zinc/15/36/61/578153661.db2.gz BYZDBNPQQDUZOK-VIFPVBQESA-N -1 3 333.417 2.194 20 30 EEEDHM C=CCCCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC=C)c1 ZINC000735528558 578157257 /nfs/dbraw/zinc/15/72/57/578157257.db2.gz UBUOKGUARDCAMM-UHFFFAOYSA-N -1 3 327.377 2.413 20 30 EEEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C#N)cn1 ZINC000735905943 578172252 /nfs/dbraw/zinc/17/22/52/578172252.db2.gz NUHFTVSBBLLKCX-UHFFFAOYSA-N -1 3 349.354 2.173 20 30 EEEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C#N)cn1 ZINC000735905943 578172253 /nfs/dbraw/zinc/17/22/53/578172253.db2.gz NUHFTVSBBLLKCX-UHFFFAOYSA-N -1 3 349.354 2.173 20 30 EEEDHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cccc(C#N)c1 ZINC000736037060 578177906 /nfs/dbraw/zinc/17/79/06/578177906.db2.gz CVBHXQFETKAOCJ-LBPRGKRZSA-N -1 3 349.350 2.363 20 30 EEEDHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cccc(C#N)c1 ZINC000736037060 578177907 /nfs/dbraw/zinc/17/79/07/578177907.db2.gz CVBHXQFETKAOCJ-LBPRGKRZSA-N -1 3 349.350 2.363 20 30 EEEDHM C=CCN(CC=C)[C@H](CNC(=O)N1CCC(C(=O)[O-])CC1)C(C)C ZINC000736108704 578180220 /nfs/dbraw/zinc/18/02/20/578180220.db2.gz OSGMUIKFGSROAT-MRXNPFEDSA-N -1 3 337.464 2.191 20 30 EEEDHM C=C(C)CN1CCC(NC(=O)c2[nH]c(CC)c(C(=O)[O-])c2C)CC1 ZINC000736095112 578180840 /nfs/dbraw/zinc/18/08/40/578180840.db2.gz JBXNTEZEXCXWSR-UHFFFAOYSA-N -1 3 333.432 2.354 20 30 EEEDHM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736274296 578192559 /nfs/dbraw/zinc/19/25/59/578192559.db2.gz UACFRJJSTWDKNZ-ABAIWWIYSA-N -1 3 340.387 2.272 20 30 EEEDHM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736274296 578192560 /nfs/dbraw/zinc/19/25/60/578192560.db2.gz UACFRJJSTWDKNZ-ABAIWWIYSA-N -1 3 340.387 2.272 20 30 EEEDHM CCc1ccccc1OCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736702724 578218920 /nfs/dbraw/zinc/21/89/20/578218920.db2.gz WJVMKWMDYYKXDZ-UHFFFAOYSA-N -1 3 348.366 2.318 20 30 EEEDHM CCc1ccccc1OCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736702724 578218921 /nfs/dbraw/zinc/21/89/21/578218921.db2.gz WJVMKWMDYYKXDZ-UHFFFAOYSA-N -1 3 348.366 2.318 20 30 EEEDHM C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000736763240 578222506 /nfs/dbraw/zinc/22/25/06/578222506.db2.gz NNYUYSMOYBNOFB-QRHJNKNDSA-N -1 3 335.448 2.102 20 30 EEEDHM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000737402818 578255509 /nfs/dbraw/zinc/25/55/09/578255509.db2.gz ZWKSPAWFIPTRFI-GFCCVEGCSA-N -1 3 348.366 2.453 20 30 EEEDHM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000737402818 578255510 /nfs/dbraw/zinc/25/55/10/578255510.db2.gz ZWKSPAWFIPTRFI-GFCCVEGCSA-N -1 3 348.366 2.453 20 30 EEEDHM CN(CCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1)C(=O)[O-] ZINC000737415115 578256191 /nfs/dbraw/zinc/25/61/91/578256191.db2.gz GRWABKIPWYGMRK-LBPRGKRZSA-N -1 3 337.763 2.377 20 30 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343.435 2.171 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001588493475 1348909163 /nfs/dbraw/zinc/90/91/63/1348909163.db2.gz GLCBBDCJAJVXGB-PXAZEXFGSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)N[C@H](C)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588497323 1348910084 /nfs/dbraw/zinc/91/00/84/1348910084.db2.gz ZOKCKAYKCRIUQN-PXAZEXFGSA-N -1 3 343.435 2.089 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)N[C@H](C)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588497323 1348910086 /nfs/dbraw/zinc/91/00/86/1348910086.db2.gz ZOKCKAYKCRIUQN-PXAZEXFGSA-N -1 3 343.435 2.089 20 30 EEEDHM C=CC1CCN(C(=O)N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC001588527444 1348913398 /nfs/dbraw/zinc/91/33/98/1348913398.db2.gz KIZUKHVIIRXCSS-INIZCTEOSA-N -1 3 338.415 2.462 20 30 EEEDHM C=CC1CCN(C(=O)N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC001588527444 1348913403 /nfs/dbraw/zinc/91/34/03/1348913403.db2.gz KIZUKHVIIRXCSS-INIZCTEOSA-N -1 3 338.415 2.462 20 30 EEEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001588545939 1348915703 /nfs/dbraw/zinc/91/57/03/1348915703.db2.gz SDVBFWRLADOISS-AWEZNQCLSA-N -1 3 336.399 2.420 20 30 EEEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001588545939 1348915704 /nfs/dbraw/zinc/91/57/04/1348915704.db2.gz SDVBFWRLADOISS-AWEZNQCLSA-N -1 3 336.399 2.420 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CC[C@@H](OC)C1 ZINC001588638637 1348925102 /nfs/dbraw/zinc/92/51/02/1348925102.db2.gz GECXMLRGFPDGHP-JKSUJKDBSA-N -1 3 341.415 2.196 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CC[C@@H](OC)C1 ZINC001588638637 1348925106 /nfs/dbraw/zinc/92/51/06/1348925106.db2.gz GECXMLRGFPDGHP-JKSUJKDBSA-N -1 3 341.415 2.196 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1C(=O)Oc1cc(C)c(-c2nn[n-]n2)c(C)c1C ZINC001588725371 1348930631 /nfs/dbraw/zinc/93/06/31/1348930631.db2.gz CBDXJMIAMWCGBH-OLZOCXBDSA-N -1 3 328.372 2.288 20 30 EEEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1coc(C(C)C)n1 ZINC001588777340 1348934894 /nfs/dbraw/zinc/93/48/94/1348934894.db2.gz OCIAZONAGHVKHJ-UHFFFAOYSA-N -1 3 325.376 2.492 20 30 EEEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1coc(C(C)C)n1 ZINC001588777340 1348934895 /nfs/dbraw/zinc/93/48/95/1348934895.db2.gz OCIAZONAGHVKHJ-UHFFFAOYSA-N -1 3 325.376 2.492 20 30 EEEDHM C[C@H](CC#N)N(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001589786484 1349041857 /nfs/dbraw/zinc/04/18/57/1349041857.db2.gz AGKQPAJGYWUHDE-SECBINFHSA-N -1 3 338.331 2.061 20 30 EEEDHM C[C@H](CC#N)N(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001589786484 1349041862 /nfs/dbraw/zinc/04/18/62/1349041862.db2.gz AGKQPAJGYWUHDE-SECBINFHSA-N -1 3 338.331 2.061 20 30 EEEDHM C[C@@]1(C#N)CCN(c2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC001590057053 1349134574 /nfs/dbraw/zinc/13/45/74/1349134574.db2.gz YBSCDHVVWCSOMV-ZDUSSCGKSA-N -1 3 333.193 2.369 20 30 EEEDHM C[C@@H]1CC[C@@H](CNC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590227749 1349212000 /nfs/dbraw/zinc/21/20/00/1349212000.db2.gz CBHAKHHLVIMBJZ-XPKDYRNWSA-N -1 3 338.415 2.101 20 30 EEEDHM C[C@@H]1CC[C@H](CNC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590227746 1349213328 /nfs/dbraw/zinc/21/33/28/1349213328.db2.gz CBHAKHHLVIMBJZ-INWMFGNUSA-N -1 3 338.415 2.101 20 30 EEEDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001590241546 1349219638 /nfs/dbraw/zinc/21/96/38/1349219638.db2.gz WZRPBEUDDCYQID-QLJPJBMISA-N -1 3 328.351 2.208 20 30 EEEDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001590241546 1349219649 /nfs/dbraw/zinc/21/96/49/1349219649.db2.gz WZRPBEUDDCYQID-QLJPJBMISA-N -1 3 328.351 2.208 20 30 EEEDHM CCC(C#N)(CC)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590367764 1349286793 /nfs/dbraw/zinc/28/67/93/1349286793.db2.gz XYYKIXODBAKNOR-UHFFFAOYSA-N -1 3 344.331 2.148 20 30 EEEDHM CCC(C#N)(CC)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590367764 1349286798 /nfs/dbraw/zinc/28/67/98/1349286798.db2.gz XYYKIXODBAKNOR-UHFFFAOYSA-N -1 3 344.331 2.148 20 30 EEEDHM CN(Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1)[C@H]1CCC[C@H]1C#N ZINC001591154572 1349441871 /nfs/dbraw/zinc/44/18/71/1349441871.db2.gz ZPHADWBQNKEXGH-RDJZCZTQSA-N -1 3 348.414 2.312 20 30 EEEDHM CN(Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1)[C@H]1CCC[C@H]1C#N ZINC001591154572 1349441882 /nfs/dbraw/zinc/44/18/82/1349441882.db2.gz ZPHADWBQNKEXGH-RDJZCZTQSA-N -1 3 348.414 2.312 20 30 EEEDHM CON=Cc1ccc(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)cc1 ZINC001591467619 1349488859 /nfs/dbraw/zinc/48/88/59/1349488859.db2.gz SGJRDDOHBQUPRL-UHFFFAOYSA-N -1 3 340.318 2.238 20 30 EEEDHM CON=Cc1ccc(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)cc1 ZINC001591467619 1349488861 /nfs/dbraw/zinc/48/88/61/1349488861.db2.gz SGJRDDOHBQUPRL-UHFFFAOYSA-N -1 3 340.318 2.238 20 30 EEEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2COc3ccccc32)n1 ZINC001592525019 1349646651 /nfs/dbraw/zinc/64/66/51/1349646651.db2.gz QKYHKQCKKYAYJA-UHFFFAOYSA-N -1 3 327.735 2.124 20 30 EEEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2COc3ccccc32)n1 ZINC001592525019 1349646656 /nfs/dbraw/zinc/64/66/56/1349646656.db2.gz QKYHKQCKKYAYJA-UHFFFAOYSA-N -1 3 327.735 2.124 20 30 EEEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)OCC(=O)N2 ZINC001593400570 1349796548 /nfs/dbraw/zinc/79/65/48/1349796548.db2.gz QZEHVLDEAZMZGA-DAXSKMNVSA-N -1 3 347.334 2.094 20 30 EEEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)OCC(=O)N2 ZINC001593400570 1349796551 /nfs/dbraw/zinc/79/65/51/1349796551.db2.gz QZEHVLDEAZMZGA-DAXSKMNVSA-N -1 3 347.334 2.094 20 30 EEEDHM C#C[C@H](NC(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1)C(C)C ZINC001602688969 1350573428 /nfs/dbraw/zinc/57/34/28/1350573428.db2.gz NSPPSDABABIWOD-AWEZNQCLSA-N -1 3 329.379 2.057 20 30 EEEDHM C#C[C@H](NC(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1)C(C)C ZINC001602688969 1350573430 /nfs/dbraw/zinc/57/34/30/1350573430.db2.gz NSPPSDABABIWOD-AWEZNQCLSA-N -1 3 329.379 2.057 20 30 EEEDHM C#C[C@H](NC(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001602690142 1350573717 /nfs/dbraw/zinc/57/37/17/1350573717.db2.gz ZLWDOJDQAWXDMR-AWEZNQCLSA-N -1 3 343.406 2.448 20 30 EEEDHM C#C[C@H](NC(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001602690142 1350573720 /nfs/dbraw/zinc/57/37/20/1350573720.db2.gz ZLWDOJDQAWXDMR-AWEZNQCLSA-N -1 3 343.406 2.448 20 30 EEEDHM C#C[C@@H](CCC)NC(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001602689992 1350573900 /nfs/dbraw/zinc/57/39/00/1350573900.db2.gz XXTFPKVMTKEAJY-ZDUSSCGKSA-N -1 3 336.355 2.053 20 30 EEEDHM C#C[C@@H](CCC)NC(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001602689992 1350573903 /nfs/dbraw/zinc/57/39/03/1350573903.db2.gz XXTFPKVMTKEAJY-ZDUSSCGKSA-N -1 3 336.355 2.053 20 30 EEEDHM C=CC(C)(C)C(=O)NC/C=C/CNc1cccc(F)c1-c1nnn[n-]1 ZINC001602784465 1350586313 /nfs/dbraw/zinc/58/63/13/1350586313.db2.gz SSLBJAWSIHMERJ-AATRIKPKSA-N -1 3 344.394 2.302 20 30 EEEDHM C=CC(C)(C)C(=O)NC/C=C/CNc1cccc(F)c1-c1nn[n-]n1 ZINC001602784465 1350586316 /nfs/dbraw/zinc/58/63/16/1350586316.db2.gz SSLBJAWSIHMERJ-AATRIKPKSA-N -1 3 344.394 2.302 20 30 EEEDHM C=C[C@H](C)NC(=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001602797653 1350587611 /nfs/dbraw/zinc/58/76/11/1350587611.db2.gz IIBRXJXCMKSJLG-LBPRGKRZSA-N -1 3 349.398 2.178 20 30 EEEDHM C=C[C@H](C)NC(=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001602797653 1350587614 /nfs/dbraw/zinc/58/76/14/1350587614.db2.gz IIBRXJXCMKSJLG-LBPRGKRZSA-N -1 3 349.398 2.178 20 30 EEEDHM C=C[C@H](CC)CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001602802910 1350588065 /nfs/dbraw/zinc/58/80/65/1350588065.db2.gz CZXFUQILBSWUAR-NWDGAFQWSA-N -1 3 343.387 2.339 20 30 EEEDHM C=C[C@H](CC)CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001602802910 1350588067 /nfs/dbraw/zinc/58/80/67/1350588067.db2.gz CZXFUQILBSWUAR-NWDGAFQWSA-N -1 3 343.387 2.339 20 30 EEEDHM C=CCC(C)(C)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001602808183 1350589861 /nfs/dbraw/zinc/58/98/61/1350589861.db2.gz ZZGWVHBZFWGMEG-LBPRGKRZSA-N -1 3 343.435 2.123 20 30 EEEDHM C=CCC(C)(C)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001602808183 1350589866 /nfs/dbraw/zinc/58/98/66/1350589866.db2.gz ZZGWVHBZFWGMEG-LBPRGKRZSA-N -1 3 343.435 2.123 20 30 EEEDHM C=CCC[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001602832996 1350593149 /nfs/dbraw/zinc/59/31/49/1350593149.db2.gz BLQQAZJWARDGQM-CYBMUJFWSA-N -1 3 327.388 2.446 20 30 EEEDHM C=CCC[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001602832996 1350593152 /nfs/dbraw/zinc/59/31/52/1350593152.db2.gz BLQQAZJWARDGQM-CYBMUJFWSA-N -1 3 327.388 2.446 20 30 EEEDHM C=CCN(CC(=O)NC(C)(C)CC)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602850859 1350595665 /nfs/dbraw/zinc/59/56/65/1350595665.db2.gz XBEPTTPMAVUIJP-UHFFFAOYSA-N -1 3 342.447 2.160 20 30 EEEDHM C=CCN(Cc1cccc(C#N)c1)Cc1cc(-c2nnn[n-]2)ccn1 ZINC001602859770 1350597792 /nfs/dbraw/zinc/59/77/92/1350597792.db2.gz JSLSPLLVIHFZDX-UHFFFAOYSA-N -1 3 331.383 2.322 20 30 EEEDHM C=CCN(Cc1cccc(C#N)c1)Cc1cc(-c2nn[n-]n2)ccn1 ZINC001602859770 1350597794 /nfs/dbraw/zinc/59/77/94/1350597794.db2.gz JSLSPLLVIHFZDX-UHFFFAOYSA-N -1 3 331.383 2.322 20 30 EEEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cc[nH]n1 ZINC001602907920 1350603542 /nfs/dbraw/zinc/60/35/42/1350603542.db2.gz CYVRHNMJUWUAGB-UHFFFAOYSA-N -1 3 336.281 2.445 20 30 EEEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cc[nH]n1 ZINC001602907920 1350603545 /nfs/dbraw/zinc/60/35/45/1350603545.db2.gz CYVRHNMJUWUAGB-UHFFFAOYSA-N -1 3 336.281 2.445 20 30 EEEDHM CC(N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc[nH]c(=O)c1 ZINC001602908051 1350604067 /nfs/dbraw/zinc/60/40/67/1350604067.db2.gz HFZUOSFSXWXTIW-UHFFFAOYSA-N -1 3 329.751 2.457 20 30 EEEDHM CC(N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc[nH]c(=O)c1 ZINC001602908051 1350604073 /nfs/dbraw/zinc/60/40/73/1350604073.db2.gz HFZUOSFSXWXTIW-UHFFFAOYSA-N -1 3 329.751 2.457 20 30 EEEDHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N[C@@H]1CC[C@H](C#N)C1 ZINC001605682541 1351215464 /nfs/dbraw/zinc/21/54/64/1351215464.db2.gz UMBIFWXPIOBLOH-CMPLNLGQSA-N -1 3 337.362 2.389 20 30 EEEDHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N[C@@H]1CC[C@H](C#N)C1 ZINC001605682541 1351215469 /nfs/dbraw/zinc/21/54/69/1351215469.db2.gz UMBIFWXPIOBLOH-CMPLNLGQSA-N -1 3 337.362 2.389 20 30 EEEDHM Cc1oc(C#N)cc1C(=O)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC001606171566 1351281564 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CC#CCCOC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001588746510 1348932024 /nfs/dbraw/zinc/93/20/24/1348932024.db2.gz SLMACUQJTWXXNM-HNNXBMFYSA-N -1 3 328.372 2.227 20 30 EEEDHM CC#CCCOC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001588746510 1348932026 /nfs/dbraw/zinc/93/20/26/1348932026.db2.gz SLMACUQJTWXXNM-HNNXBMFYSA-N -1 3 328.372 2.227 20 30 EEEDHM CC(C)(CCC#N)CNC(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001589272109 1348978233 /nfs/dbraw/zinc/97/82/33/1348978233.db2.gz FSGBLJJEKUTCPK-UHFFFAOYSA-N -1 3 348.357 2.405 20 30 EEEDHM CC(C)(CCC#N)CNC(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001589272109 1348978236 /nfs/dbraw/zinc/97/82/36/1348978236.db2.gz FSGBLJJEKUTCPK-UHFFFAOYSA-N -1 3 348.357 2.405 20 30 EEEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1cnc(C#N)cn1 ZINC001589626458 1349012585 /nfs/dbraw/zinc/01/25/85/1349012585.db2.gz VYCVFNBOBQVEIX-UHFFFAOYSA-N -1 3 334.387 2.191 20 30 EEEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1cnc(C#N)cn1 ZINC001589626458 1349012589 /nfs/dbraw/zinc/01/25/89/1349012589.db2.gz 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/nfs/dbraw/zinc/89/26/99/1348892699.db2.gz HVRZHWNKXXWBHF-JTQLQIEISA-N -1 3 325.294 2.072 20 30 EEEDHM C#Cc1cccc(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC001588374611 1348897369 /nfs/dbraw/zinc/89/73/69/1348897369.db2.gz DCTXYSLZNWCGSL-ZHACJKMWSA-N -1 3 329.363 2.178 20 30 EEEDHM C#Cc1cccc(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC001588374611 1348897375 /nfs/dbraw/zinc/89/73/75/1348897375.db2.gz DCTXYSLZNWCGSL-ZHACJKMWSA-N -1 3 329.363 2.178 20 30 EEEDHM C#Cc1ccccc1CC(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC001588376204 1348897637 /nfs/dbraw/zinc/89/76/37/1348897637.db2.gz CWTWOLQABZCUEL-UHFFFAOYSA-N -1 3 332.363 2.442 20 30 EEEDHM C#Cc1ccccc1CC(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC001588376204 1348897642 /nfs/dbraw/zinc/89/76/42/1348897642.db2.gz CWTWOLQABZCUEL-UHFFFAOYSA-N -1 3 332.363 2.442 20 30 EEEDHM C#Cc1cccc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC001588375381 1348897868 /nfs/dbraw/zinc/89/78/68/1348897868.db2.gz SHBUFEJDFGOHEU-LBPRGKRZSA-N -1 3 333.351 2.254 20 30 EEEDHM C#Cc1cccc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC001588375381 1348897874 /nfs/dbraw/zinc/89/78/74/1348897874.db2.gz SHBUFEJDFGOHEU-LBPRGKRZSA-N -1 3 333.351 2.254 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001588400895 1348900203 /nfs/dbraw/zinc/90/02/03/1348900203.db2.gz IKAKGXZTFHSSDB-RISCZKNCSA-N -1 3 330.348 2.168 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001588400895 1348900205 /nfs/dbraw/zinc/90/02/05/1348900205.db2.gz IKAKGXZTFHSSDB-RISCZKNCSA-N -1 3 330.348 2.168 20 30 EEEDHM C=C[C@H](C(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1 ZINC001588467452 1348906897 /nfs/dbraw/zinc/90/68/97/1348906897.db2.gz JKYBPPIDZHIQCQ-ROUUACIJSA-N -1 3 345.406 2.420 20 30 EEEDHM C=C[C@H](C(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1 ZINC001588467452 1348906902 /nfs/dbraw/zinc/90/69/02/1348906902.db2.gz JKYBPPIDZHIQCQ-ROUUACIJSA-N -1 3 345.406 2.420 20 30 EEEDHM C=C[C@@](C)(CCOC)C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001588498477 1348910348 /nfs/dbraw/zinc/91/03/48/1348910348.db2.gz AHNZHDVQGCELKL-HNNXBMFYSA-N -1 3 337.330 2.312 20 30 EEEDHM C=C[C@@](C)(CCOC)C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001588498477 1348910351 /nfs/dbraw/zinc/91/03/51/1348910351.db2.gz AHNZHDVQGCELKL-HNNXBMFYSA-N -1 3 337.330 2.312 20 30 EEEDHM C=C[C@@H](CC)CC(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588523881 1348912709 /nfs/dbraw/zinc/91/27/09/1348912709.db2.gz MUMJQYQYRNKTPX-STQMWFEESA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@@H](CC)CC(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588523881 1348912714 /nfs/dbraw/zinc/91/27/14/1348912714.db2.gz MUMJQYQYRNKTPX-STQMWFEESA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N[C@H](C)CCNc1ncccc1-c1nnn[n-]1 ZINC001588520570 1348912816 /nfs/dbraw/zinc/91/28/16/1348912816.db2.gz CMFOOIBZAZQFCZ-OLZOCXBDSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N[C@H](C)CCNc1ncccc1-c1nn[n-]n1 ZINC001588520570 1348912819 /nfs/dbraw/zinc/91/28/19/1348912819.db2.gz CMFOOIBZAZQFCZ-OLZOCXBDSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CC1(OC(=O)[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3F)C2)CC1 ZINC001588527928 1348913600 /nfs/dbraw/zinc/91/36/00/1348913600.db2.gz ZOYSBGIDHCYSQX-LBPRGKRZSA-N -1 3 343.362 2.094 20 30 EEEDHM C=CC[C@H](Sc1nc2c(c(C)c1-c1nnn[n-]1)CCC2)C(=O)OC ZINC001588548843 1348915455 /nfs/dbraw/zinc/91/54/55/1348915455.db2.gz IDLOHFHMAORHFP-LBPRGKRZSA-N -1 3 345.428 2.269 20 30 EEEDHM C=CC[C@H](Sc1nc2c(c(C)c1-c1nn[n-]n1)CCC2)C(=O)OC ZINC001588548843 1348915463 /nfs/dbraw/zinc/91/54/63/1348915463.db2.gz IDLOHFHMAORHFP-LBPRGKRZSA-N -1 3 345.428 2.269 20 30 EEEDHM C=CCCCCCCNC(=O)NCc1ccc(-c2nnn[n-]2)cn1 ZINC001588594207 1348921993 /nfs/dbraw/zinc/92/19/93/1348921993.db2.gz PRVYNLGMSJSFDK-UHFFFAOYSA-N -1 3 329.408 2.197 20 30 EEEDHM C=CCCCCCCNC(=O)NCc1ccc(-c2nn[n-]n2)cn1 ZINC001588594207 1348921995 /nfs/dbraw/zinc/92/19/95/1348921995.db2.gz PRVYNLGMSJSFDK-UHFFFAOYSA-N -1 3 329.408 2.197 20 30 EEEDHM C=CCN(C(=O)Nc1cccc(-c2nnn[n-]2)c1C)[C@@H](C)COC ZINC001588626030 1348924513 /nfs/dbraw/zinc/92/45/13/1348924513.db2.gz ROLYDFPJLZQBHW-NSHDSACASA-N -1 3 330.392 2.230 20 30 EEEDHM C=CCN(C(=O)Nc1cccc(-c2nn[n-]n2)c1C)[C@@H](C)COC ZINC001588626030 1348924516 /nfs/dbraw/zinc/92/45/16/1348924516.db2.gz ROLYDFPJLZQBHW-NSHDSACASA-N -1 3 330.392 2.230 20 30 EEEDHM C=CCNC(=O)c1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588663962 1348928020 /nfs/dbraw/zinc/92/80/20/1348928020.db2.gz RKPNRCZOZURLJV-UHFFFAOYSA-N -1 3 334.383 2.395 20 30 EEEDHM C=CCNC(=O)c1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588663962 1348928022 /nfs/dbraw/zinc/92/80/22/1348928022.db2.gz RKPNRCZOZURLJV-UHFFFAOYSA-N -1 3 334.383 2.395 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001588727633 1348931244 /nfs/dbraw/zinc/93/12/44/1348931244.db2.gz FGDUTBNBOIUQAV-WFASDCNBSA-N -1 3 326.404 2.144 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001588727633 1348931247 /nfs/dbraw/zinc/93/12/47/1348931247.db2.gz FGDUTBNBOIUQAV-WFASDCNBSA-N -1 3 326.404 2.144 20 30 EEEDHM CC(C)(C#N)CCCOC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001589033224 1348953774 /nfs/dbraw/zinc/95/37/74/1348953774.db2.gz ANGUNYOLBNYWFK-UHFFFAOYSA-N -1 3 329.360 2.119 20 30 EEEDHM CC(C)(C#N)CCCOC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001589033224 1348953775 /nfs/dbraw/zinc/95/37/75/1348953775.db2.gz ANGUNYOLBNYWFK-UHFFFAOYSA-N -1 3 329.360 2.119 20 30 EEEDHM CC(C)(C#N)CNC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001589034375 1348953922 /nfs/dbraw/zinc/95/39/22/1348953922.db2.gz YKZBMERVSVLCCK-UHFFFAOYSA-N -1 3 338.415 2.344 20 30 EEEDHM CC(C)(C#N)CNC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001589034375 1348953924 /nfs/dbraw/zinc/95/39/24/1348953924.db2.gz YKZBMERVSVLCCK-UHFFFAOYSA-N -1 3 338.415 2.344 20 30 EEEDHM CC(C)(C)[C@@](C)(C#N)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001589085813 1348957429 /nfs/dbraw/zinc/95/74/29/1348957429.db2.gz JBFYAYZLFDLJFZ-QGZVFWFLSA-N -1 3 326.404 2.244 20 30 EEEDHM CC(C)(C)[C@@](C)(C#N)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001589085813 1348957428 /nfs/dbraw/zinc/95/74/28/1348957428.db2.gz JBFYAYZLFDLJFZ-QGZVFWFLSA-N -1 3 326.404 2.244 20 30 EEEDHM CC(C)(NC(=O)c1sccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC001589322267 1348983754 /nfs/dbraw/zinc/98/37/54/1348983754.db2.gz YVOMEPBJDCBPQT-UHFFFAOYSA-N -1 3 338.396 2.465 20 30 EEEDHM CC(C)(NC(=O)c1sccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC001589322267 1348983756 /nfs/dbraw/zinc/98/37/56/1348983756.db2.gz YVOMEPBJDCBPQT-UHFFFAOYSA-N -1 3 338.396 2.465 20 30 EEEDHM CC(C)[C@@](C)(C#N)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001589419271 1348989794 /nfs/dbraw/zinc/98/97/94/1348989794.db2.gz KIQOSNFYJZORTB-OAHLLOKOSA-N -1 3 330.417 2.013 20 30 EEEDHM CC(C)[C@@](C)(C#N)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001589419271 1348989796 /nfs/dbraw/zinc/98/97/96/1348989796.db2.gz KIQOSNFYJZORTB-OAHLLOKOSA-N -1 3 330.417 2.013 20 30 EEEDHM CC(C)CCN(CCC#N)C(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001589600494 1349007703 /nfs/dbraw/zinc/00/77/03/1349007703.db2.gz MFOKABSVRUDXDI-UHFFFAOYSA-N -1 3 330.367 2.408 20 30 EEEDHM CC(C)CCN(CCC#N)C(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001589600494 1349007709 /nfs/dbraw/zinc/00/77/09/1349007709.db2.gz MFOKABSVRUDXDI-UHFFFAOYSA-N -1 3 330.367 2.408 20 30 EEEDHM C[C@H]([NH2+][C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1cccc(C#N)c1[O-] ZINC001589953486 1349077504 /nfs/dbraw/zinc/07/75/04/1349077504.db2.gz FPKYNIMQOAFATD-MEDUHNTESA-N -1 3 346.394 2.262 20 30 EEEDHM C[C@H]([NH2+][C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1cccc(C#N)c1[O-] ZINC001589953486 1349077509 /nfs/dbraw/zinc/07/75/09/1349077509.db2.gz FPKYNIMQOAFATD-MEDUHNTESA-N -1 3 346.394 2.262 20 30 EEEDHM CC1(C)CC[C@@H](CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)OC1 ZINC001590090834 1349148752 /nfs/dbraw/zinc/14/87/52/1349148752.db2.gz PNXHKWKCOOJAOX-JTQLQIEISA-N -1 3 345.432 2.013 20 30 EEEDHM CC1(C)CC[C@@H](CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)OC1 ZINC001590090834 1349148760 /nfs/dbraw/zinc/14/87/60/1349148760.db2.gz PNXHKWKCOOJAOX-JTQLQIEISA-N -1 3 345.432 2.013 20 30 EEEDHM COc1ccc(C=NNC[C@H]2CCCC2(F)F)cc1-c1nnn[n-]1 ZINC001591582282 1349509811 /nfs/dbraw/zinc/50/98/11/1349509811.db2.gz FQBTZGFBKKNLMK-LLVKDONJSA-N -1 3 336.346 2.234 20 30 EEEDHM COc1ccc(C=NNC[C@H]2CCCC2(F)F)cc1-c1nn[n-]n1 ZINC001591582282 1349509815 /nfs/dbraw/zinc/50/98/15/1349509815.db2.gz FQBTZGFBKKNLMK-LLVKDONJSA-N -1 3 336.346 2.234 20 30 EEEDHM Cc1cc(C#N)nc(N2CCO[C@H](c3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC001591906566 1349554866 /nfs/dbraw/zinc/55/48/66/1349554866.db2.gz QCVUCMSMPMMDTP-INIZCTEOSA-N -1 3 347.382 2.020 20 30 EEEDHM Cc1cc(C#N)nc(N2CCO[C@H](c3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC001591906566 1349554872 /nfs/dbraw/zinc/55/48/72/1349554872.db2.gz QCVUCMSMPMMDTP-INIZCTEOSA-N -1 3 347.382 2.020 20 30 EEEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N1Cc2ccc(C#N)cc2C1 ZINC001592098076 1349590793 /nfs/dbraw/zinc/59/07/93/1349590793.db2.gz YYCWMTQSBVTDNX-UHFFFAOYSA-N -1 3 330.351 2.203 20 30 EEEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N1Cc2ccc(C#N)cc2C1 ZINC001592098076 1349590796 /nfs/dbraw/zinc/59/07/96/1349590796.db2.gz YYCWMTQSBVTDNX-UHFFFAOYSA-N -1 3 330.351 2.203 20 30 EEEDHM Clc1cncc(N=NC2CCc3ccc(-c4nnn[n-]4)cc32)n1 ZINC001592539421 1349653212 /nfs/dbraw/zinc/65/32/12/1349653212.db2.gz XRBPHUYURSKXID-UHFFFAOYSA-N -1 3 326.751 2.073 20 30 EEEDHM Clc1cncc(N=NC2CCc3ccc(-c4nn[n-]n4)cc32)n1 ZINC001592539421 1349653214 /nfs/dbraw/zinc/65/32/14/1349653214.db2.gz XRBPHUYURSKXID-UHFFFAOYSA-N -1 3 326.751 2.073 20 30 EEEDHM Cn1ncc(C2CCC2)c1C=CC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001592600745 1349667493 /nfs/dbraw/zinc/66/74/93/1349667493.db2.gz WKINPGFZUVSLSR-AATRIKPKSA-N -1 3 335.371 2.159 20 30 EEEDHM Cn1ncc(C2CCC2)c1C=CC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001592600745 1349667501 /nfs/dbraw/zinc/66/75/01/1349667501.db2.gz WKINPGFZUVSLSR-AATRIKPKSA-N -1 3 335.371 2.159 20 30 EEEDHM FC(F)(F)CNN=Cc1cccn1Cc1ccccc1-c1nnn[n-]1 ZINC001592614214 1349670513 /nfs/dbraw/zinc/67/05/13/1349670513.db2.gz GRTZTHFCIGJPRI-UHFFFAOYSA-N -1 3 349.320 2.202 20 30 EEEDHM FC(F)(F)CNN=Cc1cccn1Cc1ccccc1-c1nn[n-]n1 ZINC001592614214 1349670515 /nfs/dbraw/zinc/67/05/15/1349670515.db2.gz GRTZTHFCIGJPRI-UHFFFAOYSA-N -1 3 349.320 2.202 20 30 EEEDHM N#Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)ccc1F ZINC001592688088 1349705452 /nfs/dbraw/zinc/70/54/52/1349705452.db2.gz YLEJIUVIINDEIF-UHFFFAOYSA-N -1 3 333.286 2.001 20 30 EEEDHM N#Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)ccc1F ZINC001592688088 1349705457 /nfs/dbraw/zinc/70/54/57/1349705457.db2.gz YLEJIUVIINDEIF-UHFFFAOYSA-N -1 3 333.286 2.001 20 30 EEEDHM N#Cc1ccc2c(c1)CC[C@@H]2Nc1nc2ccccn2c1-c1nnn[n-]1 ZINC001592697747 1349707914 /nfs/dbraw/zinc/70/79/14/1349707914.db2.gz PWGAUCUYNXNAPX-AWEZNQCLSA-N -1 3 342.366 2.485 20 30 EEEDHM N#Cc1ccc2c(c1)CC[C@@H]2Nc1nc2ccccn2c1-c1nn[n-]n1 ZINC001592697747 1349707916 /nfs/dbraw/zinc/70/79/16/1349707916.db2.gz PWGAUCUYNXNAPX-AWEZNQCLSA-N -1 3 342.366 2.485 20 30 EEEDHM N#Cc1ccc2c(c1)C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C2 ZINC001592697653 1349707959 /nfs/dbraw/zinc/70/79/59/1349707959.db2.gz LWYWVVDFYSSQKJ-ZDUSSCGKSA-N -1 3 347.338 2.226 20 30 EEEDHM N#Cc1ccc2c(c1)C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C2 ZINC001592697653 1349707961 /nfs/dbraw/zinc/70/79/61/1349707961.db2.gz LWYWVVDFYSSQKJ-ZDUSSCGKSA-N -1 3 347.338 2.226 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1Oc1ccc(C=O)cc1[N+](=O)[O-] ZINC001592700686 1349708598 /nfs/dbraw/zinc/70/85/98/1349708598.db2.gz PNFGXZVKCJPLPL-UHFFFAOYSA-N -1 3 336.267 2.251 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1Oc1ccc(C=O)cc1[N+](=O)[O-] ZINC001592700686 1349708605 /nfs/dbraw/zinc/70/86/05/1349708605.db2.gz PNFGXZVKCJPLPL-UHFFFAOYSA-N -1 3 336.267 2.251 20 30 EEEDHM O=C(OCC#Cc1cccc(Cl)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001593280062 1349760475 /nfs/dbraw/zinc/76/04/75/1349760475.db2.gz CVPHDUDCNNUQSR-UHFFFAOYSA-N -1 3 327.731 2.057 20 30 EEEDHM O=C(OCC#Cc1cccc(Cl)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001593280062 1349760478 /nfs/dbraw/zinc/76/04/78/1349760478.db2.gz CVPHDUDCNNUQSR-UHFFFAOYSA-N -1 3 327.731 2.057 20 30 EEEDHM C#C[C@H](NC(=O)C(F)(F)c1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC001602688478 1350573280 /nfs/dbraw/zinc/57/32/80/1350573280.db2.gz KHOLSGADTULCPZ-LBPRGKRZSA-N -1 3 333.342 2.123 20 30 EEEDHM C#C[C@H](NC(=O)C(F)(F)c1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC001602688478 1350573284 /nfs/dbraw/zinc/57/32/84/1350573284.db2.gz KHOLSGADTULCPZ-LBPRGKRZSA-N -1 3 333.342 2.123 20 30 EEEDHM C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001602756406 1350582299 /nfs/dbraw/zinc/58/22/99/1350582299.db2.gz MYQUCYZGKHTPHO-STQMWFEESA-N -1 3 343.435 2.313 20 30 EEEDHM C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001602756406 1350582304 /nfs/dbraw/zinc/58/23/04/1350582304.db2.gz MYQUCYZGKHTPHO-STQMWFEESA-N -1 3 343.435 2.313 20 30 EEEDHM C=CC[C@@H](CC)NS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001602811985 1350590374 /nfs/dbraw/zinc/59/03/74/1350590374.db2.gz UPLCLULKCMPLHE-SNVBAGLBSA-N -1 3 341.824 2.153 20 30 EEEDHM C=CC[C@@H](CC)NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001602811985 1350590376 /nfs/dbraw/zinc/59/03/76/1350590376.db2.gz UPLCLULKCMPLHE-SNVBAGLBSA-N -1 3 341.824 2.153 20 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MQIPPEFUQHNOBE-UHFFFAOYSA-N -1 3 335.209 2.495 20 30 EEEDHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1ccc(C#N)cn1 ZINC001309417152 1331628997 /nfs/dbraw/zinc/62/89/97/1331628997.db2.gz NMTMMXGVUHLOAK-UHFFFAOYSA-N -1 3 343.364 2.187 20 30 EEEDHM C=CCCC[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCC(C)(C)O1)C(=O)OC ZINC001309864061 1331645652 /nfs/dbraw/zinc/64/56/52/1331645652.db2.gz QCQMHEJTKYHIPE-UONOGXRCSA-N -1 3 347.477 2.151 20 30 EEEDHM C=C(C)C[C@H](C)C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001609051187 1351823628 /nfs/dbraw/zinc/82/36/28/1351823628.db2.gz QSZAHBDLMRDYFF-RYUDHWBXSA-N -1 3 343.387 2.339 20 30 EEEDHM C=C(C)C[C@H](C)C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001609051187 1351823632 /nfs/dbraw/zinc/82/36/32/1351823632.db2.gz QSZAHBDLMRDYFF-RYUDHWBXSA-N -1 3 343.387 2.339 20 30 EEEDHM C[C@@]1(C#N)CCCN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC001609142441 1351859923 /nfs/dbraw/zinc/85/99/23/1351859923.db2.gz ZFSDUQISCQNDLE-HNNXBMFYSA-N -1 3 330.779 2.286 20 30 EEEDHM 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ZINC001588330511 1348890047 /nfs/dbraw/zinc/89/00/47/1348890047.db2.gz ADWOFCBLVAPOTJ-UHFFFAOYSA-N -1 3 328.759 2.226 20 30 EEEDHM C#C[C@H]1CC[C@H](NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588365361 1348896789 /nfs/dbraw/zinc/89/67/89/1348896789.db2.gz STZLWOKYHWPZMH-SAZUREKKSA-N -1 3 338.415 2.200 20 30 EEEDHM C#C[C@H]1CC[C@H](NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588365361 1348896794 /nfs/dbraw/zinc/89/67/94/1348896794.db2.gz STZLWOKYHWPZMH-SAZUREKKSA-N -1 3 338.415 2.200 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1ccc(-c2nn[n-]n2)cc1COC ZINC001588401357 1348901071 /nfs/dbraw/zinc/90/10/71/1348901071.db2.gz QFUGXIWCWFLOFX-BBRMVZONSA-N -1 3 329.404 2.406 20 30 EEEDHM C=C(C)CCC(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588415526 1348903201 /nfs/dbraw/zinc/90/32/01/1348903201.db2.gz NCUMERVSQWURRP-NWDGAFQWSA-N -1 3 343.435 2.232 20 30 EEEDHM C=C(C)CCC(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588415526 1348903204 /nfs/dbraw/zinc/90/32/04/1348903204.db2.gz NCUMERVSQWURRP-NWDGAFQWSA-N -1 3 343.435 2.232 20 30 EEEDHM C=C1CCN(C(=O)NCc2ccc(SC)c(-c3nnn[n-]3)c2)CC1 ZINC001588462287 1348907262 /nfs/dbraw/zinc/90/72/62/1348907262.db2.gz AUXARRFUTLSEQY-UHFFFAOYSA-N -1 3 344.444 2.450 20 30 EEEDHM C=C1CCN(C(=O)NCc2ccc(SC)c(-c3nn[n-]n3)c2)CC1 ZINC001588462287 1348907263 /nfs/dbraw/zinc/90/72/63/1348907263.db2.gz AUXARRFUTLSEQY-UHFFFAOYSA-N -1 3 344.444 2.450 20 30 EEEDHM C=CC(C)(C)C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001588474167 1348907361 /nfs/dbraw/zinc/90/73/61/1348907361.db2.gz DCUFNAQCYKTUEQ-ZDUSSCGKSA-N -1 3 343.435 2.027 20 30 EEEDHM C=CC(C)(C)C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001588474167 1348907364 /nfs/dbraw/zinc/90/73/64/1348907364.db2.gz DCUFNAQCYKTUEQ-ZDUSSCGKSA-N -1 3 343.435 2.027 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N[C@H](C)CNc1snc(C)c1-c1nnn[n-]1 ZINC001588524091 1348912599 /nfs/dbraw/zinc/91/25/99/1348912599.db2.gz OPYOAOOXAGUIAV-KOLCDFICSA-N -1 3 349.464 2.151 20 30 EEEDHM C=CC[C@H](CO)NC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588545789 1348914624 /nfs/dbraw/zinc/91/46/24/1348914624.db2.gz ODUBWAIKSYNCFS-LLVKDONJSA-N -1 3 343.412 2.057 20 30 EEEDHM C=CC[C@H](CO)NC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588545789 1348914626 /nfs/dbraw/zinc/91/46/26/1348914626.db2.gz ODUBWAIKSYNCFS-LLVKDONJSA-N -1 3 343.412 2.057 20 30 EEEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588565089 1348918303 /nfs/dbraw/zinc/91/83/03/1348918303.db2.gz VWBLSPHHYPUMKE-CQSZACIVSA-N -1 3 325.372 2.007 20 30 EEEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588565089 1348918308 /nfs/dbraw/zinc/91/83/08/1348918308.db2.gz VWBLSPHHYPUMKE-CQSZACIVSA-N -1 3 325.372 2.007 20 30 EEEDHM C=CCCC(=O)N[C@@H](C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588570974 1348919081 /nfs/dbraw/zinc/91/90/81/1348919081.db2.gz FYCMZNGBZNEETF-NEPJUHHUSA-N -1 3 343.435 2.232 20 30 EEEDHM C=CCCC(=O)N[C@@H](C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588570974 1348919087 /nfs/dbraw/zinc/91/90/87/1348919087.db2.gz FYCMZNGBZNEETF-NEPJUHHUSA-N -1 3 343.435 2.232 20 30 EEEDHM C=CCCC(=O)NC[C@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001588572956 1348919231 /nfs/dbraw/zinc/91/92/31/1348919231.db2.gz VZGKUBSMKKMBRL-GFCCVEGCSA-N -1 3 344.394 2.057 20 30 EEEDHM C=CCCC(=O)NC[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001588572956 1348919235 /nfs/dbraw/zinc/91/92/35/1348919235.db2.gz VZGKUBSMKKMBRL-GFCCVEGCSA-N -1 3 344.394 2.057 20 30 EEEDHM C=CCCC(C)(C)CNC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001588576145 1348919970 /nfs/dbraw/zinc/91/99/70/1348919970.db2.gz GWBLMZRPTGIQPC-UHFFFAOYSA-N -1 3 329.404 2.354 20 30 EEEDHM C=CCCC(C)(C)CNC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001588576145 1348919974 /nfs/dbraw/zinc/91/99/74/1348919974.db2.gz GWBLMZRPTGIQPC-UHFFFAOYSA-N -1 3 329.404 2.354 20 30 EEEDHM C=CCN(C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001588626307 1348924244 /nfs/dbraw/zinc/92/42/44/1348924244.db2.gz XGUYCEZVXQTZFB-MRXNPFEDSA-N -1 3 338.415 2.013 20 30 EEEDHM C=CCN(CC1CCCCC1)C(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001588627654 1348924266 /nfs/dbraw/zinc/92/42/66/1348924266.db2.gz DJVIEYGNYVDQHN-UHFFFAOYSA-N -1 3 326.404 2.470 20 30 EEEDHM C=CCN(CC1CCCCC1)C(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001588627654 1348924267 /nfs/dbraw/zinc/92/42/67/1348924267.db2.gz DJVIEYGNYVDQHN-UHFFFAOYSA-N -1 3 326.404 2.470 20 30 EEEDHM C=CCN(Cc1cn2cccnc2n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588648240 1348926120 /nfs/dbraw/zinc/92/61/20/1348926120.db2.gz IMIFHDBGLORFDY-UHFFFAOYSA-N -1 3 346.398 2.098 20 30 EEEDHM C=CCN(Cc1cn2cccnc2n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588648240 1348926123 /nfs/dbraw/zinc/92/61/23/1348926123.db2.gz IMIFHDBGLORFDY-UHFFFAOYSA-N -1 3 346.398 2.098 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NO[C@@H](C)C=C ZINC001588649263 1348926943 /nfs/dbraw/zinc/92/69/43/1348926943.db2.gz LQZQNJPSHVPDFK-LBPRGKRZSA-N -1 3 328.376 2.070 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NO[C@@H](C)C=C ZINC001588649263 1348926947 /nfs/dbraw/zinc/92/69/47/1348926947.db2.gz LQZQNJPSHVPDFK-LBPRGKRZSA-N -1 3 328.376 2.070 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C2CC2)n[nH]1 ZINC001588649005 1348927422 /nfs/dbraw/zinc/92/74/22/1348927422.db2.gz HGIHUJGYDSWYLQ-UHFFFAOYSA-N -1 3 349.398 2.296 20 30 EEEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)CC#N ZINC001589618841 1349011492 /nfs/dbraw/zinc/01/14/92/1349011492.db2.gz OFXRDZXGBILNRA-ZDUSSCGKSA-N -1 3 326.404 2.401 20 30 EEEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)CC#N ZINC001589618841 1349011490 /nfs/dbraw/zinc/01/14/90/1349011490.db2.gz OFXRDZXGBILNRA-ZDUSSCGKSA-N -1 3 326.404 2.401 20 30 EEEDHM CC(C)Cc1ccc(C(=O)Cn2cnc(C#N)c2-c2nnn[n-]2)cc1 ZINC001589661237 1349016823 /nfs/dbraw/zinc/01/68/23/1349016823.db2.gz NBSDMNAJVPPCAM-UHFFFAOYSA-N -1 3 335.371 2.016 20 30 EEEDHM C[C@@H](Cc1ccc(O)c(O)c1)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589898977 1349056000 /nfs/dbraw/zinc/05/60/00/1349056000.db2.gz BMPZMHXWARCFIU-JTQLQIEISA-N -1 3 336.355 2.193 20 30 EEEDHM C[C@@H](Cc1ccc(O)c(O)c1)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589898977 1349056005 /nfs/dbraw/zinc/05/60/05/1349056005.db2.gz BMPZMHXWARCFIU-JTQLQIEISA-N -1 3 336.355 2.193 20 30 EEEDHM CC(Cn1nc(C)cc1C)=NOCc1ccc(-c2nnn[n-]2)cc1F ZINC001589903672 1349059397 /nfs/dbraw/zinc/05/93/97/1349059397.db2.gz HGGJOGMPEMWUGP-UHFFFAOYSA-N -1 3 343.366 2.412 20 30 EEEDHM CC(Cn1nc(C)cc1C)=NOCc1ccc(-c2nn[n-]n2)cc1F ZINC001589903672 1349059399 /nfs/dbraw/zinc/05/93/99/1349059399.db2.gz HGGJOGMPEMWUGP-UHFFFAOYSA-N -1 3 343.366 2.412 20 30 EEEDHM C[C@@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590005671 1349101912 /nfs/dbraw/zinc/10/19/12/1349101912.db2.gz NGOUSTSUOXTMQD-BDJLRTHQSA-N -1 3 349.350 2.076 20 30 EEEDHM C[C@@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590005671 1349101919 /nfs/dbraw/zinc/10/19/19/1349101919.db2.gz NGOUSTSUOXTMQD-BDJLRTHQSA-N -1 3 349.350 2.076 20 30 EEEDHM CCN(C[C@@H](C)C#N)C(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001590683167 1349387831 /nfs/dbraw/zinc/38/78/31/1349387831.db2.gz YLISLVJYOCDZSE-NSHDSACASA-N -1 3 342.378 2.046 20 30 EEEDHM CCN(C[C@@H](C)C#N)C(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001590683167 1349387837 /nfs/dbraw/zinc/38/78/37/1349387837.db2.gz YLISLVJYOCDZSE-NSHDSACASA-N -1 3 342.378 2.046 20 30 EEEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2nc3c(s2)CCC3)n1 ZINC001592524924 1349646412 /nfs/dbraw/zinc/64/64/12/1349646412.db2.gz OXQFKWYPCVJOME-UHFFFAOYSA-N -1 3 346.807 2.306 20 30 EEEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2nc3c(s2)CCC3)n1 ZINC001592524924 1349646414 /nfs/dbraw/zinc/64/64/14/1349646414.db2.gz OXQFKWYPCVJOME-UHFFFAOYSA-N -1 3 346.807 2.306 20 30 EEEDHM Fc1ccc(NC(=S)NN=Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001592649947 1349696328 /nfs/dbraw/zinc/69/63/28/1349696328.db2.gz ACKIHAWQAHDALB-UHFFFAOYSA-N -1 3 341.375 2.326 20 30 EEEDHM Fc1ccc(NC(=S)NN=Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001592649947 1349696332 /nfs/dbraw/zinc/69/63/32/1349696332.db2.gz ACKIHAWQAHDALB-UHFFFAOYSA-N -1 3 341.375 2.326 20 30 EEEDHM N#C[C@@H]1CCC[C@@H](OC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC001592672102 1349703770 /nfs/dbraw/zinc/70/37/70/1349703770.db2.gz CBVQRJFAUORYLL-PSASIEDQSA-N -1 3 333.298 2.384 20 30 EEEDHM N#C[C@@H]1CCC[C@@H](OC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001592672102 1349703771 /nfs/dbraw/zinc/70/37/71/1349703771.db2.gz CBVQRJFAUORYLL-PSASIEDQSA-N -1 3 333.298 2.384 20 30 EEEDHM N#CC[C@@H](C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1ccccc1 ZINC001592671692 1349704029 /nfs/dbraw/zinc/70/40/29/1349704029.db2.gz MVANWYGVHLOATH-MRXNPFEDSA-N -1 3 344.378 2.453 20 30 EEEDHM N#CC[C@@H](C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1ccccc1 ZINC001592671692 1349704033 /nfs/dbraw/zinc/70/40/33/1349704033.db2.gz MVANWYGVHLOATH-MRXNPFEDSA-N -1 3 344.378 2.453 20 30 EEEDHM N#Cc1ccc2c(c1)CC[C@@H]2Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592697289 1349707984 /nfs/dbraw/zinc/70/79/84/1349707984.db2.gz GDMUPHGVHGOXNR-ZDUSSCGKSA-N -1 3 348.326 2.141 20 30 EEEDHM N#Cc1ccc2c(c1)CC[C@@H]2Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592697289 1349707986 /nfs/dbraw/zinc/70/79/86/1349707986.db2.gz GDMUPHGVHGOXNR-ZDUSSCGKSA-N -1 3 348.326 2.141 20 30 EEEDHM N#Cc1cccc([N+](=O)[O-])c1NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001592703298 1349709431 /nfs/dbraw/zinc/70/94/31/1349709431.db2.gz MNTFADHSNYZNEZ-UHFFFAOYSA-N -1 3 339.290 2.398 20 30 EEEDHM N#Cc1cccc([N+](=O)[O-])c1NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001592703298 1349709438 /nfs/dbraw/zinc/70/94/38/1349709438.db2.gz MNTFADHSNYZNEZ-UHFFFAOYSA-N -1 3 339.290 2.398 20 30 EEEDHM N#Cc1ncn(Cc2csc(C3CCCC3)n2)c1-c1nnn[n-]1 ZINC001592709473 1349709837 /nfs/dbraw/zinc/70/98/37/1349709837.db2.gz GZVLKEBMWLXPDY-UHFFFAOYSA-N -1 3 326.389 2.097 20 30 EEEDHM Nc1ccc(C=[NH+][N-]c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cn1 ZINC001592759561 1349713498 /nfs/dbraw/zinc/71/34/98/1349713498.db2.gz PFTLLTXCUZRXJI-UHFFFAOYSA-N -1 3 348.292 2.309 20 30 EEEDHM Oc1ccc(C=N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)c(O)c1O ZINC001593540569 1349837002 /nfs/dbraw/zinc/83/70/02/1349837002.db2.gz JQDDKIHKHAQFPB-VFJJTOLMSA-N -1 3 337.339 2.090 20 30 EEEDHM N#Cc1cccc(-c2cc(C(=O)N3CCCc4c(=O)[n-]cnc43)on2)c1 ZINC001597573839 1349928326 /nfs/dbraw/zinc/92/83/26/1349928326.db2.gz KXHJTZQFMVHEGA-UHFFFAOYSA-N -1 3 347.334 2.302 20 30 EEEDHM N#Cc1ccc(CN2CCCN(Cc3c[nH]c(C(=O)[O-])c3)CC2)cc1 ZINC001601099707 1350209762 /nfs/dbraw/zinc/20/97/62/1350209762.db2.gz AVPJXOIHIRDYKA-UHFFFAOYSA-N -1 3 338.411 2.292 20 30 EEEDHM C#CCOc1ccc(COC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC001602732164 1350578579 /nfs/dbraw/zinc/57/85/79/1350578579.db2.gz PMQQLIRQKBQPJB-UHFFFAOYSA-N -1 3 340.364 2.297 20 30 EEEDHM C=C(C)CCC(=O)N(C)[C@H](C)CNc1snc(C)c1-c1nnn[n-]1 ZINC001602756702 1350582978 /nfs/dbraw/zinc/58/29/78/1350582978.db2.gz VWGNJOLFKOWLGI-SNVBAGLBSA-N -1 3 349.464 2.247 20 30 EEEDHM C=C(C)CONC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001602763479 1350583528 /nfs/dbraw/zinc/58/35/28/1350583528.db2.gz OWPBEDGDRUDWNA-CQSZACIVSA-N -1 3 328.376 2.051 20 30 EEEDHM C=C(C)CONC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001602763479 1350583529 /nfs/dbraw/zinc/58/35/29/1350583529.db2.gz OWPBEDGDRUDWNA-CQSZACIVSA-N -1 3 328.376 2.051 20 30 EEEDHM C=CC[C@@H](CC)NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001602811786 1350589510 /nfs/dbraw/zinc/58/95/10/1350589510.db2.gz PMMYRGZYOKFNBM-GFCCVEGCSA-N -1 3 330.392 2.029 20 30 EEEDHM C=CC[C@@H](CC)NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001602811786 1350589514 /nfs/dbraw/zinc/58/95/14/1350589514.db2.gz PMMYRGZYOKFNBM-GFCCVEGCSA-N -1 3 330.392 2.029 20 30 EEEDHM C=CCCCC(=O)NC[C@H](Nc1ncccc1-c1nnn[n-]1)C(C)C ZINC001602831843 1350592902 /nfs/dbraw/zinc/59/29/02/1350592902.db2.gz GLVZNQQMSHPVLR-AWEZNQCLSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCCCC(=O)NC[C@H](Nc1ncccc1-c1nn[n-]n1)C(C)C ZINC001602831843 1350592903 /nfs/dbraw/zinc/59/29/03/1350592903.db2.gz GLVZNQQMSHPVLR-AWEZNQCLSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCCCCCCNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001602838410 1350594767 /nfs/dbraw/zinc/59/47/67/1350594767.db2.gz WQVUNVZHLCCCEH-UHFFFAOYSA-N -1 3 335.433 2.282 20 30 EEEDHM C=CCCCCCCNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001602838410 1350594769 /nfs/dbraw/zinc/59/47/69/1350594769.db2.gz WQVUNVZHLCCCEH-UHFFFAOYSA-N -1 3 335.433 2.282 20 30 EEEDHM C[C@@H]1CCCC[C@H]1NC(=S)NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001603890255 1350794914 /nfs/dbraw/zinc/79/49/14/1350794914.db2.gz JBUPHKSETBNWFV-BXUZGUMPSA-N -1 3 343.460 2.243 20 30 EEEDHM C[C@@H]1CCCC[C@H]1NC(=S)NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603890255 1350794920 /nfs/dbraw/zinc/79/49/20/1350794920.db2.gz JBUPHKSETBNWFV-BXUZGUMPSA-N -1 3 343.460 2.243 20 30 EEEDHM C[C@@H]1CCC[C@@H]1CNC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603891889 1350796151 /nfs/dbraw/zinc/79/61/51/1350796151.db2.gz XZCLLPHIHNQMRY-WQVCFCJDSA-N -1 3 338.415 2.101 20 30 EEEDHM CN(C(=O)c1cc(-c2nnn[n-]2)ccc1Cl)[C@@H]1CCC[C@H]1C#N ZINC001604650374 1350977241 /nfs/dbraw/zinc/97/72/41/1350977241.db2.gz GSESRNCIGWAKQR-GXFFZTMASA-N -1 3 330.779 2.284 20 30 EEEDHM CN(C(=O)c1cc(-c2nn[n-]n2)ccc1Cl)[C@@H]1CCC[C@H]1C#N ZINC001604650374 1350977242 /nfs/dbraw/zinc/97/72/42/1350977242.db2.gz GSESRNCIGWAKQR-GXFFZTMASA-N -1 3 330.779 2.284 20 30 EEEDHM COC(=O)c1cccc(COc2cc(-c3nnn[n-]3)ccc2C)c1C#N ZINC001604985448 1351045642 /nfs/dbraw/zinc/04/56/42/1351045642.db2.gz QNZRJISORWCAFR-UHFFFAOYSA-N -1 3 349.350 2.412 20 30 EEEDHM COC(=O)c1cccc(COc2cc(-c3nn[n-]n3)ccc2C)c1C#N ZINC001604985448 1351045648 /nfs/dbraw/zinc/04/56/48/1351045648.db2.gz QNZRJISORWCAFR-UHFFFAOYSA-N -1 3 349.350 2.412 20 30 EEEDHM COc1cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)ccc1-c1nnn[n-]1 ZINC001605195789 1351100185 /nfs/dbraw/zinc/10/01/85/1351100185.db2.gz SYPDJVVWVCCMIR-CQSZACIVSA-N -1 3 340.387 2.030 20 30 EEEDHM COc1cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)ccc1-c1nn[n-]n1 ZINC001605195789 1351100188 /nfs/dbraw/zinc/10/01/88/1351100188.db2.gz SYPDJVVWVCCMIR-CQSZACIVSA-N -1 3 340.387 2.030 20 30 EEEDHM COc1cc(C=NNc2ccc(Cl)nc2)ccc1-c1nnn[n-]1 ZINC001605205148 1351102583 /nfs/dbraw/zinc/10/25/83/1351102583.db2.gz IAJHCPCBWAZEDT-UHFFFAOYSA-N -1 3 329.751 2.370 20 30 EEEDHM COc1cc(C=NNc2ccc(Cl)nc2)ccc1-c1nn[n-]n1 ZINC001605205148 1351102584 /nfs/dbraw/zinc/10/25/84/1351102584.db2.gz IAJHCPCBWAZEDT-UHFFFAOYSA-N -1 3 329.751 2.370 20 30 EEEDHM Cc1cc(C#N)ccc1CSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC001605588940 1351195843 /nfs/dbraw/zinc/19/58/43/1351195843.db2.gz PFMKVBJFNGUTFM-UHFFFAOYSA-N -1 3 348.395 2.188 20 30 EEEDHM Cc1cc(C#N)ccc1CSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC001605588940 1351195846 /nfs/dbraw/zinc/19/58/46/1351195846.db2.gz PFMKVBJFNGUTFM-UHFFFAOYSA-N -1 3 348.395 2.188 20 30 EEEDHM N#C[C@]1(F)CCN(c2cc(C(F)(F)F)c(F)cc2-c2nnn[n-]2)C1 ZINC001606344789 1351295286 /nfs/dbraw/zinc/29/52/86/1351295286.db2.gz UCFRQKWLMFHJCJ-GFCCVEGCSA-N -1 3 344.247 2.467 20 30 EEEDHM N#C[C@]1(F)CCN(c2cc(C(F)(F)F)c(F)cc2-c2nn[n-]n2)C1 ZINC001606344789 1351295289 /nfs/dbraw/zinc/29/52/89/1351295289.db2.gz UCFRQKWLMFHJCJ-GFCCVEGCSA-N -1 3 344.247 2.467 20 30 EEEDHM N#CCc1ccc(CNc2nc3c(cc2-c2nnn[n-]2)CCC3)cc1 ZINC001606351385 1351296395 /nfs/dbraw/zinc/29/63/95/1351296395.db2.gz 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ZINC001592665522 1404708376 /nfs/dbraw/zinc/70/83/76/1404708376.db2.gz OLGNGBAEKNIOAF-ZDUSSCGKSA-N -1 3 341.334 2.300 20 30 EEEDHM N#CCOc1ccc(COC(=O)c2cscc2-c2nnn[n-]2)cc1 ZINC001592678875 1404711544 /nfs/dbraw/zinc/71/15/44/1404711544.db2.gz VNVSBHGVBGGBDU-UHFFFAOYSA-N -1 3 341.352 2.188 20 30 EEEDHM N#CCOc1ccc(COC(=O)c2cscc2-c2nn[n-]n2)cc1 ZINC001592678875 1404711552 /nfs/dbraw/zinc/71/15/52/1404711552.db2.gz VNVSBHGVBGGBDU-UHFFFAOYSA-N -1 3 341.352 2.188 20 30 EEEDHM N#CCC[C@@H](C#N)COc1cc(-c2nnn[n-]2)ccc1Br ZINC001592674756 1404712101 /nfs/dbraw/zinc/71/21/01/1404712101.db2.gz KDQRIIZTRLTMNS-VIFPVBQESA-N -1 3 347.176 2.452 20 30 EEEDHM N#CCC[C@@H](C#N)COc1cc(-c2nn[n-]n2)ccc1Br ZINC001592674756 1404712106 /nfs/dbraw/zinc/71/21/06/1404712106.db2.gz KDQRIIZTRLTMNS-VIFPVBQESA-N -1 3 347.176 2.452 20 30 EEEDHM N#CCCCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592674959 1404712456 /nfs/dbraw/zinc/71/24/56/1404712456.db2.gz NKBRZMKXNOCIIH-UHFFFAOYSA-N -1 3 344.331 2.292 20 30 EEEDHM 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EEEDHM Cc1ccc(F)cc1CSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC001609425103 1351971561 /nfs/dbraw/zinc/97/15/61/1351971561.db2.gz YZIPURPBAHWNSP-UHFFFAOYSA-N -1 3 341.375 2.455 20 30 EEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1csc(C2CCCC2)n1 ZINC001609446967 1351981254 /nfs/dbraw/zinc/98/12/54/1351981254.db2.gz YSPLJHNWCMRFBA-UHFFFAOYSA-N -1 3 340.416 2.406 20 30 EEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1csc(C2CCCC2)n1 ZINC001609446967 1351981256 /nfs/dbraw/zinc/98/12/56/1351981256.db2.gz YSPLJHNWCMRFBA-UHFFFAOYSA-N -1 3 340.416 2.406 20 30 EEEDHM Clc1cncc(N=NCCCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001609474244 1351990701 /nfs/dbraw/zinc/99/07/01/1351990701.db2.gz PHIONIBQAWXAMM-UHFFFAOYSA-N -1 3 328.767 2.341 20 30 EEEDHM Clc1cncc(N=NCCCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001609474244 1351990703 /nfs/dbraw/zinc/99/07/03/1351990703.db2.gz PHIONIBQAWXAMM-UHFFFAOYSA-N -1 3 328.767 2.341 20 30 EEEDHM N#C[C@]1(F)CCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC001609494863 1351998377 /nfs/dbraw/zinc/99/83/77/1351998377.db2.gz 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CN(C[C@@H](O)c1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1C#N ZINC001579063478 1344336160 /nfs/dbraw/zinc/33/61/60/1344336160.db2.gz CWKXQOAZXYLSJX-MRXNPFEDSA-N -1 3 338.346 2.047 20 30 EEEDHM N#Cc1cc(C(=O)NC2(c3ccc(-c4nnn[n-]4)cc3)CCC2)co1 ZINC001581865358 1344681258 /nfs/dbraw/zinc/68/12/58/1344681258.db2.gz IPNRCKHCSHKSGZ-UHFFFAOYSA-N -1 3 334.339 2.141 20 30 EEEDHM N#Cc1cc(C(=O)NC2(c3ccc(-c4nn[n-]n4)cc3)CCC2)co1 ZINC001581865358 1344681265 /nfs/dbraw/zinc/68/12/65/1344681265.db2.gz IPNRCKHCSHKSGZ-UHFFFAOYSA-N -1 3 334.339 2.141 20 30 EEEDHM N#Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)co1 ZINC001581864901 1344681684 /nfs/dbraw/zinc/68/16/84/1344681684.db2.gz UVHVPOVENIRTGU-UHFFFAOYSA-N -1 3 346.253 2.185 20 30 EEEDHM N#Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)co1 ZINC001581864901 1344681689 /nfs/dbraw/zinc/68/16/89/1344681689.db2.gz UVHVPOVENIRTGU-UHFFFAOYSA-N -1 3 346.253 2.185 20 30 EEEDHM N#Cc1ccc(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2F)s1 ZINC001581870210 1344683030 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C=C(C)CCC(=O)N[C@H](C)CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001588415129 1348903248 /nfs/dbraw/zinc/90/32/48/1348903248.db2.gz CQCLBEQJODLWQO-LLVKDONJSA-N -1 3 347.398 2.064 20 30 EEEDHM C=C(C)CCC(=O)N[C@H](C)CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001588415129 1348903251 /nfs/dbraw/zinc/90/32/51/1348903251.db2.gz CQCLBEQJODLWQO-LLVKDONJSA-N -1 3 347.398 2.064 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588441375 1348904878 /nfs/dbraw/zinc/90/48/78/1348904878.db2.gz DQISLRSXICXRGL-NILFDRSVSA-N -1 3 328.372 2.452 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588441375 1348904883 /nfs/dbraw/zinc/90/48/83/1348904883.db2.gz DQISLRSXICXRGL-NILFDRSVSA-N -1 3 328.372 2.452 20 30 EEEDHM C=CC(C)(C)CC(=O)NC[C@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001588483920 1348908321 /nfs/dbraw/zinc/90/83/21/1348908321.db2.gz UIGJRQUJLSGYLB-LBPRGKRZSA-N -1 3 343.435 2.028 20 30 EEEDHM C=CC(C)(C)CC(=O)NC[C@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001588483920 1348908324 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347.444 2.280 20 30 EEEDHM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588561137 1348916706 /nfs/dbraw/zinc/91/67/06/1348916706.db2.gz YDSULRYAWWGENT-IUODEOHRSA-N -1 3 347.444 2.280 20 30 EEEDHM C=CCN(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1[C@@H]1C[C@H]1C ZINC001588626591 1348924136 /nfs/dbraw/zinc/92/41/36/1348924136.db2.gz MCACZEIDHVZJHK-BXUZGUMPSA-N -1 3 336.403 2.328 20 30 EEEDHM C=CCN(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1[C@@H]1C[C@H]1C ZINC001588626591 1348924140 /nfs/dbraw/zinc/92/41/40/1348924140.db2.gz MCACZEIDHVZJHK-BXUZGUMPSA-N -1 3 336.403 2.328 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCOC[C@H]1C ZINC001588639043 1348925386 /nfs/dbraw/zinc/92/53/86/1348925386.db2.gz MVPREXFGNATMAY-CZUORRHYSA-N -1 3 341.415 2.054 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCOC[C@H]1C ZINC001588639043 1348925387 /nfs/dbraw/zinc/92/53/87/1348925387.db2.gz MVPREXFGNATMAY-CZUORRHYSA-N -1 3 341.415 2.054 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1conc1CC ZINC001588648763 1348927690 /nfs/dbraw/zinc/92/76/90/1348927690.db2.gz UQOZHAPWKZGGST-UHFFFAOYSA-N -1 3 338.371 2.246 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1conc1CC ZINC001588648763 1348927691 /nfs/dbraw/zinc/92/76/91/1348927691.db2.gz UQOZHAPWKZGGST-UHFFFAOYSA-N -1 3 338.371 2.246 20 30 EEEDHM CC(=NNCCc1ccncc1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588777065 1348934965 /nfs/dbraw/zinc/93/49/65/1348934965.db2.gz ALCIGDKMZJCXOH-UHFFFAOYSA-N -1 3 341.806 2.471 20 30 EEEDHM CC(=NNCCc1ccncc1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588777065 1348934968 /nfs/dbraw/zinc/93/49/68/1348934968.db2.gz ALCIGDKMZJCXOH-UHFFFAOYSA-N -1 3 341.806 2.471 20 30 EEEDHM CC(=Cc1cccnc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001588773412 1348935504 /nfs/dbraw/zinc/93/55/04/1348935504.db2.gz YYERYDXBOJYOHT-XFFZJAGNSA-N -1 3 331.339 2.175 20 30 EEEDHM CC(=Cc1cccnc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001588773412 1348935508 /nfs/dbraw/zinc/93/55/08/1348935508.db2.gz YYERYDXBOJYOHT-XFFZJAGNSA-N -1 3 331.339 2.175 20 30 EEEDHM C[C@H](C#N)CN(C(=O)c1cc(-c2nnn[n-]2)ccc1Cl)C1CC1 ZINC001588930765 1348949222 /nfs/dbraw/zinc/94/92/22/1348949222.db2.gz KNADOFIDZABERR-SECBINFHSA-N -1 3 330.779 2.284 20 30 EEEDHM C[C@H](C#N)CN(C(=O)c1cc(-c2nn[n-]n2)ccc1Cl)C1CC1 ZINC001588930765 1348949224 /nfs/dbraw/zinc/94/92/24/1348949224.db2.gz KNADOFIDZABERR-SECBINFHSA-N -1 3 330.779 2.284 20 30 EEEDHM CC(C)(CCC#N)CNc1nc2c(cc1-c1nnn[n-]1)COCC2 ZINC001589272391 1348977640 /nfs/dbraw/zinc/97/76/40/1348977640.db2.gz LEAKXTROGRZUJE-UHFFFAOYSA-N -1 3 327.392 2.076 20 30 EEEDHM CC(C)(CCC#N)CNc1nc2c(cc1-c1nn[n-]n1)COCC2 ZINC001589272391 1348977645 /nfs/dbraw/zinc/97/76/45/1348977645.db2.gz LEAKXTROGRZUJE-UHFFFAOYSA-N -1 3 327.392 2.076 20 30 EEEDHM CC(C)C(C)(C)CNC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589425635 1348989914 /nfs/dbraw/zinc/98/99/14/1348989914.db2.gz YNDWXEFCQKFRPJ-HNNXBMFYSA-N -1 3 340.431 2.347 20 30 EEEDHM CC(C)Cc1nc(C#N)c(N=NCc2csc(-c3nnn[n-]3)c2)o1 ZINC001589664673 1349016977 /nfs/dbraw/zinc/01/69/77/1349016977.db2.gz TYXFSGSHOHUBHI-UHFFFAOYSA-N -1 3 342.388 2.432 20 30 EEEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)CC#N ZINC001589788476 1349043186 /nfs/dbraw/zinc/04/31/86/1349043186.db2.gz ZFFSWGDDLKESLT-SNVBAGLBSA-N -1 3 329.364 2.078 20 30 EEEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)CC#N ZINC001589788476 1349043194 /nfs/dbraw/zinc/04/31/94/1349043194.db2.gz ZFFSWGDDLKESLT-SNVBAGLBSA-N -1 3 329.364 2.078 20 30 EEEDHM C[C@@H](COc1ccccc1)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC001589885896 1349054914 /nfs/dbraw/zinc/05/49/14/1349054914.db2.gz SVPGHPSHKWSVCY-NSHDSACASA-N -1 3 328.401 2.319 20 30 EEEDHM C[C@@H](COc1ccccc1)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC001589885896 1349054920 /nfs/dbraw/zinc/05/49/20/1349054920.db2.gz SVPGHPSHKWSVCY-NSHDSACASA-N -1 3 328.401 2.319 20 30 EEEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(C)(C)CC#N ZINC001590023286 1349114168 /nfs/dbraw/zinc/11/41/68/1349114168.db2.gz VHANTNGQUCXJIU-LLVKDONJSA-N -1 3 329.360 2.117 20 30 EEEDHM C[C@@H](O)CSc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001591731648 1349535781 /nfs/dbraw/zinc/53/57/81/1349535781.db2.gz OXIWUGSKYBKPAZ-SNVBAGLBSA-N -1 3 344.444 2.265 20 30 EEEDHM C[C@@H](O)CSc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001591731648 1349535784 /nfs/dbraw/zinc/53/57/84/1349535784.db2.gz OXIWUGSKYBKPAZ-SNVBAGLBSA-N -1 3 344.444 2.265 20 30 EEEDHM N#Cc1ccc(C=C2CCc3cc(-c4nnn[n-]4)cnc3C2=O)c(F)c1 ZINC001592692045 1349706231 /nfs/dbraw/zinc/70/62/31/1349706231.db2.gz PWILKVIERKOBFQ-AWNIVKPZSA-N -1 3 346.325 2.485 20 30 EEEDHM N#Cc1ccc(C=C2CCc3cc(-c4nn[n-]n4)cnc3C2=O)c(F)c1 ZINC001592692045 1349706234 /nfs/dbraw/zinc/70/62/34/1349706234.db2.gz PWILKVIERKOBFQ-AWNIVKPZSA-N -1 3 346.325 2.485 20 30 EEEDHM O=[N+]([O-])c1ccc(C=NOCc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC001593475430 1349809693 /nfs/dbraw/zinc/80/96/93/1349809693.db2.gz KPIWBPLRCAXJIQ-UHFFFAOYSA-N -1 3 332.251 2.058 20 30 EEEDHM O=[N+]([O-])c1ccc(C=NOCc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC001593475430 1349809696 /nfs/dbraw/zinc/80/96/96/1349809696.db2.gz KPIWBPLRCAXJIQ-UHFFFAOYSA-N -1 3 332.251 2.058 20 30 EEEDHM C#CCCN(Cc1ccc(OC)c(-c2nnn[n-]2)c1)CC(F)(F)F ZINC001602712560 1350576371 /nfs/dbraw/zinc/57/63/71/1350576371.db2.gz OAIHZIDFVPHNRM-UHFFFAOYSA-N -1 3 339.321 2.263 20 30 EEEDHM C#CCCN(Cc1ccc(OC)c(-c2nn[n-]n2)c1)CC(F)(F)F ZINC001602712560 1350576374 /nfs/dbraw/zinc/57/63/74/1350576374.db2.gz OAIHZIDFVPHNRM-UHFFFAOYSA-N -1 3 339.321 2.263 20 30 EEEDHM C#Cc1cccc(CNC(=O)c2c[nH]c3cccc(-c4nnn[n-]4)c23)c1 ZINC001602741247 1350579140 /nfs/dbraw/zinc/57/91/40/1350579140.db2.gz BLDXIQIVJLACSE-UHFFFAOYSA-N -1 3 342.362 2.259 20 30 EEEDHM C#Cc1cccc(CNC(=O)c2c[nH]c3cccc(-c4nn[n-]n4)c23)c1 ZINC001602741247 1350579144 /nfs/dbraw/zinc/57/91/44/1350579144.db2.gz BLDXIQIVJLACSE-UHFFFAOYSA-N -1 3 342.362 2.259 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1nc2ncccc2cc1-c1nnn[n-]1 ZINC001602753345 1350581292 /nfs/dbraw/zinc/58/12/92/1350581292.db2.gz OELAGZFETXIMDR-OCCSQVGLSA-N -1 3 337.387 2.203 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1nc2ncccc2cc1-c1nn[n-]n1 ZINC001602753345 1350581298 /nfs/dbraw/zinc/58/12/98/1350581298.db2.gz OELAGZFETXIMDR-OCCSQVGLSA-N -1 3 337.387 2.203 20 30 EEEDHM C=C[C@@](C)(CCOC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1NC ZINC001602793661 1350587815 /nfs/dbraw/zinc/58/78/15/1350587815.db2.gz FEBUXVWCEIFFBD-INIZCTEOSA-N -1 3 330.392 2.076 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001602795955 1350587860 /nfs/dbraw/zinc/58/78/60/1350587860.db2.gz XOGKBXFWNOMWSJ-HNNXBMFYSA-N -1 3 331.332 2.420 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001602795955 1350587865 /nfs/dbraw/zinc/58/78/65/1350587865.db2.gz XOGKBXFWNOMWSJ-HNNXBMFYSA-N -1 3 331.332 2.420 20 30 EEEDHM C=C[C@@H](CC)CC(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001602799640 1350588177 /nfs/dbraw/zinc/58/81/77/1350588177.db2.gz FBEHGWRAZKGHQG-STQMWFEESA-N -1 3 343.435 2.028 20 30 EEEDHM C=C[C@@H](CC)CC(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001602799640 1350588181 /nfs/dbraw/zinc/58/81/81/1350588181.db2.gz FBEHGWRAZKGHQG-STQMWFEESA-N -1 3 343.435 2.028 20 30 EEEDHM C=CCCO[C@@H](C)C(=O)N(c1cc(-c2nnn[n-]2)cc(C)n1)C1CC1 ZINC001602841125 1350594754 /nfs/dbraw/zinc/59/47/54/1350594754.db2.gz OIDKYPPAYOMQLR-LBPRGKRZSA-N -1 3 342.403 2.047 20 30 EEEDHM C=CCCO[C@@H](C)C(=O)N(c1cc(-c2nn[n-]n2)cc(C)n1)C1CC1 ZINC001602841125 1350594757 /nfs/dbraw/zinc/59/47/57/1350594757.db2.gz OIDKYPPAYOMQLR-LBPRGKRZSA-N -1 3 342.403 2.047 20 30 EEEDHM C=CCN(CC(F)(F)F)C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602849960 1350595737 /nfs/dbraw/zinc/59/57/37/1350595737.db2.gz KHRIRLSFLKMGKB-YVMONPNESA-N -1 3 337.305 2.457 20 30 EEEDHM C=CCN(CC(F)(F)F)C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602849960 1350595740 /nfs/dbraw/zinc/59/57/40/1350595740.db2.gz KHRIRLSFLKMGKB-YVMONPNESA-N -1 3 337.305 2.457 20 30 EEEDHM C=CCOCCCNC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001602870151 1350599002 /nfs/dbraw/zinc/59/90/02/1350599002.db2.gz IMRJSJHYBTWSTA-CYBMUJFWSA-N -1 3 344.419 2.162 20 30 EEEDHM C=CCOCCCNC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001602870151 1350599009 /nfs/dbraw/zinc/59/90/09/1350599009.db2.gz IMRJSJHYBTWSTA-CYBMUJFWSA-N -1 3 344.419 2.162 20 30 EEEDHM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001603580261 1350723357 /nfs/dbraw/zinc/72/33/57/1350723357.db2.gz FXDPVUMNIMHYAW-SJCJKPOMSA-N -1 3 326.404 2.100 20 30 EEEDHM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603580261 1350723360 /nfs/dbraw/zinc/72/33/60/1350723360.db2.gz FXDPVUMNIMHYAW-SJCJKPOMSA-N -1 3 326.404 2.100 20 30 EEEDHM CC[C@@H](CSc1nc(N)c(-c2nnn[n-]2)cc1C#N)CC(F)F ZINC001604042394 1350837020 /nfs/dbraw/zinc/83/70/20/1350837020.db2.gz PGCCZJDCEJSEGL-SSDOTTSWSA-N -1 3 339.375 2.489 20 30 EEEDHM CC[C@@H](CSc1nc(N)c(-c2nn[n-]n2)cc1C#N)CC(F)F ZINC001604042394 1350837023 /nfs/dbraw/zinc/83/70/23/1350837023.db2.gz PGCCZJDCEJSEGL-SSDOTTSWSA-N -1 3 339.375 2.489 20 30 EEEDHM COc1cc(C#N)cc(OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC001605191323 1351099448 /nfs/dbraw/zinc/09/94/48/1351099448.db2.gz MOSUJGGQVDKOLK-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM COc1cc(C#N)cc(OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC001605191323 1351099450 /nfs/dbraw/zinc/09/94/50/1351099450.db2.gz MOSUJGGQVDKOLK-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM COc1cc(C#N)cc(OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC001605191477 1351099980 /nfs/dbraw/zinc/09/99/80/1351099980.db2.gz XREKREQCIXYPDO-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM COc1cc(C#N)cc(OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC001605191477 1351099982 /nfs/dbraw/zinc/09/99/82/1351099982.db2.gz XREKREQCIXYPDO-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC001605797851 1351225197 /nfs/dbraw/zinc/22/51/97/1351225197.db2.gz LZAYYFSSUCCTRH-INIZCTEOSA-N -1 3 325.376 2.333 20 30 EEEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC001605797851 1351225199 /nfs/dbraw/zinc/22/51/99/1351225199.db2.gz LZAYYFSSUCCTRH-INIZCTEOSA-N -1 3 325.376 2.333 20 30 EEEDHM Cc1ncccc1C=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001606094423 1351269545 /nfs/dbraw/zinc/26/95/45/1351269545.db2.gz NPTRXZQXGNAIIL-FNORWQNLSA-N -1 3 331.339 2.094 20 30 EEEDHM Cc1ncccc1C=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001606094423 1351269549 /nfs/dbraw/zinc/26/95/49/1351269549.db2.gz NPTRXZQXGNAIIL-FNORWQNLSA-N -1 3 331.339 2.094 20 30 EEEDHM N#Cc1ccc2c(c1)CCN2C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001606381266 1351299093 /nfs/dbraw/zinc/29/90/93/1351299093.db2.gz LAZIQLSWEAVVBL-UHFFFAOYSA-N -1 3 344.378 2.260 20 30 EEEDHM N#Cc1ccc2c(c1)CCN2C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001606381266 1351299095 /nfs/dbraw/zinc/29/90/95/1351299095.db2.gz LAZIQLSWEAVVBL-UHFFFAOYSA-N -1 3 344.378 2.260 20 30 EEEDHM N#Cc1ccc2c(c1)CCCN2C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001606381176 1351299138 /nfs/dbraw/zinc/29/91/38/1351299138.db2.gz JACQURSBSZZLAB-UHFFFAOYSA-N -1 3 336.380 2.393 20 30 EEEDHM COC(=O)N1CCC[C@H]([C@H](C)NCc2cccc(C(=O)[O-])c2C#N)C1 ZINC001606491456 1351311678 /nfs/dbraw/zinc/31/16/78/1351311678.db2.gz IJHAOCQNYHDHSQ-JSGCOSHPSA-N -1 3 345.399 2.213 20 30 EEEDHM Cn1cc(CN2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1C(=O)[O-] ZINC001608112027 1351627904 /nfs/dbraw/zinc/62/79/04/1351627904.db2.gz FTGAOGJMYZRANF-HNNXBMFYSA-N -1 3 339.399 2.066 20 30 EEEDHM N#Cc1ccc(CNC(=O)c2c[n-]c3c(Cl)cccc3c2=O)nc1 ZINC001625745676 1352456574 /nfs/dbraw/zinc/45/65/74/1352456574.db2.gz PRAZEBZPXXOWHS-UHFFFAOYSA-N -1 3 338.754 2.378 20 30 EEEDHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)o1 ZINC001649797912 1353602274 /nfs/dbraw/zinc/60/22/74/1353602274.db2.gz QDUOPNMUBKZJSE-GFCCVEGCSA-N -1 3 334.401 2.245 20 30 EEEDHM Cn1c(C(=O)N([O-])C(=N)c2ccccc2N)ccc1C(F)(F)F ZINC001188365794 1368296362 /nfs/dbraw/zinc/29/63/62/1368296362.db2.gz QWYBCUAEHMEKHF-UHFFFAOYSA-N -1 3 326.278 2.483 20 30 EEEDHM COc1nc(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)ccc1F ZINC001190108799 1368393225 /nfs/dbraw/zinc/39/32/25/1368393225.db2.gz XBOMUPZQSQAXAV-SNVBAGLBSA-N -1 3 335.360 2.140 20 30 EEEDHM CCCCCCCCCCS(=O)(=O)N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001201836873 1368853085 /nfs/dbraw/zinc/85/30/85/1368853085.db2.gz HTSQPWVOUDYFAE-KBPBESRZSA-N -1 3 334.482 2.283 20 30 EEEDHM CCCCCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000862357707 1369531872 /nfs/dbraw/zinc/53/18/72/1369531872.db2.gz DKUASZHOSLVVOM-UHFFFAOYSA-N -1 3 328.434 2.464 20 30 EEEDHM C#CC1CCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC(C)C)CC1 ZINC001343694171 1372957967 /nfs/dbraw/zinc/95/79/67/1372957967.db2.gz LPPFATWCYOOMBP-UHFFFAOYSA-N -1 3 340.431 2.255 20 30 EEEDHM O=C(CC1(CSc2ccccc2)CC1)N[C@H]1CCCN([O-])C1=O ZINC000848134132 1373086079 /nfs/dbraw/zinc/08/60/79/1373086079.db2.gz ODXSXUQDMNRRRN-AWEZNQCLSA-N -1 3 334.441 2.445 20 30 EEEDHM C=C(Cl)CNC[C@H]1[C@H](C)CCCN1C(=O)c1n[nH]c(C)c1[O-] ZINC001374397148 1376768926 /nfs/dbraw/zinc/76/89/26/1376768926.db2.gz NPNPNMQEPKWDFW-SKDRFNHKSA-N -1 3 326.828 2.007 20 30 EEEDHM COc1ccc(NC(=O)c2cc(C#N)cs2)cc1-c1nnn[n-]1 ZINC001580042191 1403815666 /nfs/dbraw/zinc/81/56/66/1403815666.db2.gz 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C=CCN(Cc1ccccc1)C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000347812839 465243049 /nfs/dbraw/zinc/24/30/49/465243049.db2.gz SEYGYERUDIRCBW-UHFFFAOYSA-N -1 3 345.424 2.282 20 30 EEEDHM C#C[C@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C(C)C ZINC000491014833 468285924 /nfs/dbraw/zinc/28/59/24/468285924.db2.gz SZLVQPBGIQWGLA-LBPRGKRZSA-N -1 3 340.832 2.161 20 30 EEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)Cc1ccco1 ZINC000044913110 462539966 /nfs/dbraw/zinc/53/99/66/462539966.db2.gz FLBAFMGNJAYFBX-NSHDSACASA-N -1 3 327.384 2.136 20 30 EEEDHM Cn1c2ccc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cc2[nH]c1=O ZINC000113650874 462609620 /nfs/dbraw/zinc/60/96/20/462609620.db2.gz VBUWPLDJRXLFDK-LLVKDONJSA-N -1 3 331.335 2.233 20 30 EEEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000130556783 462763980 /nfs/dbraw/zinc/76/39/80/462763980.db2.gz DYEJVKRIMOHSMS-IUODEOHRSA-N -1 3 337.401 2.487 20 30 EEEDHM COC(=O)c1cc([N-]C(=O)c2sccc2C#N)cc(C(=O)OC)c1 ZINC000052027919 463059466 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N#CCOc1cccc(OC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001581858882 1344679077 /nfs/dbraw/zinc/67/90/77/1344679077.db2.gz ZQTAEFJYOLDCEL-UHFFFAOYSA-N -1 3 339.286 2.127 20 30 EEEDHM N#Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)c(Cl)n2)ccc1F ZINC001581866412 1344682263 /nfs/dbraw/zinc/68/22/63/1344682263.db2.gz BEEFYHZRHVMSRA-UHFFFAOYSA-N -1 3 343.709 2.178 20 30 EEEDHM C#C[C@@H](NCc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(F)cc1 ZINC001588328495 1348888559 /nfs/dbraw/zinc/88/85/59/1348888559.db2.gz IJMUGCRRYTXXMC-MRXNPFEDSA-N -1 3 347.357 2.118 20 30 EEEDHM C#C[C@@H](NCc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(F)cc1 ZINC001588328495 1348888564 /nfs/dbraw/zinc/88/85/64/1348888564.db2.gz IJMUGCRRYTXXMC-MRXNPFEDSA-N -1 3 347.357 2.118 20 30 EEEDHM C#C[C@@H](NC(=O)NCCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001588329812 1348889643 /nfs/dbraw/zinc/88/96/43/1348889643.db2.gz OCFCAOQCTXBGIE-QGZVFWFLSA-N -1 3 346.394 2.083 20 30 EEEDHM C#C[C@@H](NC(=O)NCCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001588329812 1348889648 /nfs/dbraw/zinc/88/96/48/1348889648.db2.gz OCFCAOQCTXBGIE-QGZVFWFLSA-N -1 3 346.394 2.083 20 30 EEEDHM C#CCSCC(=O)N(c1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC001588362980 1348895585 /nfs/dbraw/zinc/89/55/85/1348895585.db2.gz CEADDTMMBGNQDE-UHFFFAOYSA-N -1 3 327.413 2.119 20 30 EEEDHM C#CCSCC(=O)N(c1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC001588362980 1348895589 /nfs/dbraw/zinc/89/55/89/1348895589.db2.gz CEADDTMMBGNQDE-UHFFFAOYSA-N -1 3 327.413 2.119 20 30 EEEDHM C#CCN1C(=O)c2ccccc2N[C@H]1c1ccc(-c2nnn[n-]2)cc1 ZINC001588352001 1348895653 /nfs/dbraw/zinc/89/56/53/1348895653.db2.gz QTFKJAZKOADIKZ-QGZVFWFLSA-N -1 3 330.351 2.066 20 30 EEEDHM C#CCN1C(=O)c2ccccc2N[C@H]1c1ccc(-c2nn[n-]n2)cc1 ZINC001588352001 1348895658 /nfs/dbraw/zinc/89/56/58/1348895658.db2.gz QTFKJAZKOADIKZ-QGZVFWFLSA-N -1 3 330.351 2.066 20 30 EEEDHM C#Cc1ccc(CNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC001588373675 1348896416 /nfs/dbraw/zinc/89/64/16/1348896416.db2.gz QLQUWDMEFPJCBF-UHFFFAOYSA-N -1 3 337.770 2.431 20 30 EEEDHM C#Cc1ccc(CNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC001588373675 1348896422 /nfs/dbraw/zinc/89/64/22/1348896422.db2.gz QLQUWDMEFPJCBF-UHFFFAOYSA-N -1 3 337.770 2.431 20 30 EEEDHM C=C(C)C[C@@H](NCc1ccc(-c2nnn[n-]2)c(C)c1)C(=O)OCC ZINC001588410343 1348902049 /nfs/dbraw/zinc/90/20/49/1348902049.db2.gz ONNPIIBFZSYOKN-OAHLLOKOSA-N -1 3 329.404 2.163 20 30 EEEDHM C=C(C)C[C@@H](NCc1ccc(-c2nn[n-]n2)c(C)c1)C(=O)OCC ZINC001588410343 1348902052 /nfs/dbraw/zinc/90/20/52/1348902052.db2.gz ONNPIIBFZSYOKN-OAHLLOKOSA-N -1 3 329.404 2.163 20 30 EEEDHM C=C(C)CCC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001588412047 1348902060 /nfs/dbraw/zinc/90/20/60/1348902060.db2.gz QGURYHVNIHATHV-UHFFFAOYSA-N -1 3 341.419 2.021 20 30 EEEDHM C=C(C)CCC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001588412047 1348902062 /nfs/dbraw/zinc/90/20/62/1348902062.db2.gz QGURYHVNIHATHV-UHFFFAOYSA-N -1 3 341.419 2.021 20 30 EEEDHM C=C(C)CN(CC)C(=O)[C@H](C)Sc1cc(-c2nn[n-]n2)ccn1 ZINC001588425298 1348903837 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20 30 EEEDHM C=C[C@@](C)(CC)C(=O)N(C)CCCNc1ccc(-c2nnn[n-]2)nc1 ZINC001588491924 1348908967 /nfs/dbraw/zinc/90/89/67/1348908967.db2.gz LYPYONYVMVWUET-KRWDZBQOSA-N -1 3 343.435 2.124 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)N(C)CCCNc1ccc(-c2nn[n-]n2)nc1 ZINC001588491924 1348908970 /nfs/dbraw/zinc/90/89/70/1348908970.db2.gz LYPYONYVMVWUET-KRWDZBQOSA-N -1 3 343.435 2.124 20 30 EEEDHM C=CC(C)(C)CCCNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588486269 1348909555 /nfs/dbraw/zinc/90/95/55/1348909555.db2.gz FBCXCCRSWFYCOV-UHFFFAOYSA-N -1 3 335.433 2.137 20 30 EEEDHM C=CC(C)(C)CCCNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588486269 1348909560 /nfs/dbraw/zinc/90/95/60/1348909560.db2.gz FBCXCCRSWFYCOV-UHFFFAOYSA-N -1 3 335.433 2.137 20 30 EEEDHM C=C[C@H](CC)CC(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588518347 1348911869 /nfs/dbraw/zinc/91/18/69/1348911869.db2.gz ASZJBEBINRPAPA-CHWSQXEVSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@H](CC)CC(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588518347 1348911871 /nfs/dbraw/zinc/91/18/71/1348911871.db2.gz ASZJBEBINRPAPA-CHWSQXEVSA-N -1 3 343.435 2.123 20 30 EEEDHM C=CCC(F)(F)C(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC ZINC001588545760 1348914564 /nfs/dbraw/zinc/91/45/64/1348914564.db2.gz NJMQUFNCXBPCPQ-UHFFFAOYSA-N -1 3 347.329 2.386 20 30 EEEDHM C=CCC(F)(F)C(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC ZINC001588545760 1348914567 /nfs/dbraw/zinc/91/45/67/1348914567.db2.gz NJMQUFNCXBPCPQ-UHFFFAOYSA-N -1 3 347.329 2.386 20 30 EEEDHM C=CCC1(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)CCOCC1 ZINC001588556094 1348915513 /nfs/dbraw/zinc/91/55/13/1348915513.db2.gz CRBLMYNIXQBRRA-UHFFFAOYSA-N -1 3 346.362 2.422 20 30 EEEDHM C=CCC1(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)CCOCC1 ZINC001588556094 1348915518 /nfs/dbraw/zinc/91/55/18/1348915518.db2.gz CRBLMYNIXQBRRA-UHFFFAOYSA-N -1 3 346.362 2.422 20 30 EEEDHM C=CCCC(=O)N[C@H]1CCC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001588571073 1348919173 /nfs/dbraw/zinc/91/91/73/1348919173.db2.gz SXNZEGHIFOEIRW-STQMWFEESA-N -1 3 341.419 2.067 20 30 EEEDHM C=CCCC(=O)N[C@H]1CCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001588571073 1348919177 /nfs/dbraw/zinc/91/91/77/1348919177.db2.gz SXNZEGHIFOEIRW-STQMWFEESA-N -1 3 341.419 2.067 20 30 EEEDHM C=CCCC(C)(C)CNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001588575885 1348919778 /nfs/dbraw/zinc/91/97/78/1348919778.db2.gz BATJJPQOYBCBRZ-UHFFFAOYSA-N -1 3 329.404 2.354 20 30 EEEDHM C=CCCCC(=O)N1CCO[C@@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588588767 1348921853 /nfs/dbraw/zinc/92/18/53/1348921853.db2.gz ZDHLTWDZFQPIKU-OAHLLOKOSA-N -1 3 327.388 2.123 20 30 EEEDHM C=CCCCC(=O)N1CCO[C@@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588588767 1348921857 /nfs/dbraw/zinc/92/18/57/1348921857.db2.gz ZDHLTWDZFQPIKU-OAHLLOKOSA-N -1 3 327.388 2.123 20 30 EEEDHM C=CCCCN(CC)C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588601454 1348923214 /nfs/dbraw/zinc/92/32/14/1348923214.db2.gz MHDCHZVHFIQJLA-CYBMUJFWSA-N -1 3 329.404 2.449 20 30 EEEDHM C=CCCCN(CC)C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588601454 1348923217 /nfs/dbraw/zinc/92/32/17/1348923217.db2.gz MHDCHZVHFIQJLA-CYBMUJFWSA-N -1 3 329.404 2.449 20 30 EEEDHM C=CCN(C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)[C@@H](C)COC ZINC001588625731 1348924439 /nfs/dbraw/zinc/92/44/39/1348924439.db2.gz OBEZYZUVRYBQEZ-JTQLQIEISA-N -1 3 334.355 2.061 20 30 EEEDHM C=CCN(C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)[C@@H](C)COC ZINC001588625731 1348924440 /nfs/dbraw/zinc/92/44/40/1348924440.db2.gz OBEZYZUVRYBQEZ-JTQLQIEISA-N -1 3 334.355 2.061 20 30 EEEDHM C=CCN(CCc1ccccc1)C(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588635260 1348925362 /nfs/dbraw/zinc/92/53/62/1348925362.db2.gz FPSPMACWFQWVTF-UHFFFAOYSA-N -1 3 348.410 2.441 20 30 EEEDHM C=CCN(CCc1ccccc1)C(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001588635260 1348925364 /nfs/dbraw/zinc/92/53/64/1348925364.db2.gz FPSPMACWFQWVTF-UHFFFAOYSA-N -1 3 348.410 2.441 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)CCC1(C)C ZINC001588648131 1348926330 /nfs/dbraw/zinc/92/63/30/1348926330.db2.gz HJVGQWXYXDCKCS-UHFFFAOYSA-N -1 3 340.431 2.213 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C(=O)CCC1(C)C ZINC001588648131 1348926331 /nfs/dbraw/zinc/92/63/31/1348926331.db2.gz HJVGQWXYXDCKCS-UHFFFAOYSA-N -1 3 340.431 2.213 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001588728484 1348931312 /nfs/dbraw/zinc/93/13/12/1348931312.db2.gz QZLUEJFUQDFIEA-CABCVRRESA-N -1 3 340.387 2.209 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001588728484 1348931316 /nfs/dbraw/zinc/93/13/16/1348931316.db2.gz QZLUEJFUQDFIEA-CABCVRRESA-N -1 3 340.387 2.209 20 30 EEEDHM CC(=Cc1ccccn1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001588771910 1348933844 /nfs/dbraw/zinc/93/38/44/1348933844.db2.gz DHYXYLLZHZDCHN-DHZHZOJOSA-N -1 3 331.339 2.175 20 30 EEEDHM CC(=Cc1ccccn1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001588771910 1348933845 /nfs/dbraw/zinc/93/38/45/1348933845.db2.gz DHYXYLLZHZDCHN-DHZHZOJOSA-N -1 3 331.339 2.175 20 30 EEEDHM CC(N=Nc1ccc(-c2nnn[n-]2)cn1)c1cnn(CC2CCC2)c1 ZINC001588780455 1348934985 /nfs/dbraw/zinc/93/49/85/1348934985.db2.gz BFWFZFUXTQYWFZ-UHFFFAOYSA-N -1 3 337.391 2.094 20 30 EEEDHM CC(N=Nc1ccc(-c2nn[n-]n2)cn1)c1cnn(CC2CCC2)c1 ZINC001588780455 1348934987 /nfs/dbraw/zinc/93/49/87/1348934987.db2.gz BFWFZFUXTQYWFZ-UHFFFAOYSA-N -1 3 337.391 2.094 20 30 EEEDHM CC(=O)c1ccc(C#N)cc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001588911873 1348946048 /nfs/dbraw/zinc/94/60/48/1348946048.db2.gz FPNZVGRPHLMYJO-UHFFFAOYSA-N -1 3 348.366 2.432 20 30 EEEDHM C[C@@H](C#N)OCCSc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC001588934253 1348949404 /nfs/dbraw/zinc/94/94/04/1348949404.db2.gz HKIGJEYXVFKZDW-ZETCQYMHSA-N -1 3 344.322 2.301 20 30 EEEDHM C[C@@H](C#N)OCCSc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC001588934253 1348949406 /nfs/dbraw/zinc/94/94/06/1348949406.db2.gz HKIGJEYXVFKZDW-ZETCQYMHSA-N -1 3 344.322 2.301 20 30 EEEDHM CC(C)(CC#N)COC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001589267300 1348976424 /nfs/dbraw/zinc/97/64/24/1348976424.db2.gz OUCCQIIRVUQDEB-UONOGXRCSA-N -1 3 325.372 2.453 20 30 EEEDHM 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N#Cc1cccc(OC2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c1 ZINC001592700497 1404718282 /nfs/dbraw/zinc/71/82/82/1404718282.db2.gz XBSXFYFAOGHQKO-UHFFFAOYSA-N -1 3 347.382 2.181 20 30 EEEDHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CON=C[C@@H]1CCCO1 ZINC001606298486 1404779753 /nfs/dbraw/zinc/77/97/53/1404779753.db2.gz RLDRKAGWXDITCW-NSHDSACASA-N -1 3 339.302 2.150 20 30 EEEDHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CON=C[C@@H]1CCCO1 ZINC001606298486 1404779757 /nfs/dbraw/zinc/77/97/57/1404779757.db2.gz RLDRKAGWXDITCW-NSHDSACASA-N -1 3 339.302 2.150 20 30 EEEDHM Fc1ccccc1C=NOCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001606335910 1404797317 /nfs/dbraw/zinc/79/73/17/1404797317.db2.gz NHZPNYKYKXHIIP-UHFFFAOYSA-N -1 3 327.319 2.435 20 30 EEEDHM CO[C@@H](C)c1nc(C/N=C2/[N-]S(=O)(=O)c3ccccc32)cs1 ZINC001771618269 1406145117 /nfs/dbraw/zinc/14/51/17/1406145117.db2.gz RQRRUJNSWARMFZ-VIFPVBQESA-N -1 3 337.426 2.089 20 30 EEEDHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816756908 784245733 /nfs/dbraw/zinc/24/57/33/784245733.db2.gz 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CCC[C@H](CCO)C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000123785801 292283785 /nfs/dbraw/zinc/28/37/85/292283785.db2.gz MMKHJGFVMWFWHA-LLVKDONJSA-N -1 3 330.837 2.289 20 30 EEEDHM N#Cc1cccc(CS(=O)(=O)[N-]Cc2noc3c2CCCC3)c1 ZINC000377379060 154170295 /nfs/dbraw/zinc/17/02/95/154170295.db2.gz NGNJXQDIDJALDE-UHFFFAOYSA-N -1 3 331.397 2.045 20 30 EEEDHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1cccc(C(F)(F)F)c1 ZINC000322878788 160538355 /nfs/dbraw/zinc/53/83/55/160538355.db2.gz AHDPMIVZZDPGFV-UHFFFAOYSA-N -1 3 341.314 2.451 20 30 EEEDHM N#Cc1ccncc1C(=O)[N-]c1ncn(Cc2ccc(Cl)cc2)n1 ZINC000342518955 161071149 /nfs/dbraw/zinc/07/11/49/161071149.db2.gz DOUANNWQDSBHGK-UHFFFAOYSA-N -1 3 338.758 2.499 20 30 EEEDHM COc1ccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)cc1Cl ZINC000344723670 161239372 /nfs/dbraw/zinc/23/93/72/161239372.db2.gz FENOPNILZCJSEH-UHFFFAOYSA-N -1 3 326.761 2.292 20 30 EEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)[C@@H]1CCCOC1 ZINC000355546661 163226057 /nfs/dbraw/zinc/22/60/57/163226057.db2.gz 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EEEDHM CC[C@@H](C)[C@H]([N-]S(=O)(=O)CCCCC#N)C(=O)OC(C)(C)C ZINC000339446409 465279203 /nfs/dbraw/zinc/27/92/03/465279203.db2.gz UNKRXLKTTPPRTQ-OLZOCXBDSA-N -1 3 332.466 2.356 20 30 EEEDHM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000356432571 465377731 /nfs/dbraw/zinc/37/77/31/465377731.db2.gz WNSVICXICMFUJS-PWSUYJOCSA-N -1 3 330.837 2.287 20 30 EEEDHM CN1CCCC(C)(C)[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000568471957 468340574 /nfs/dbraw/zinc/34/05/74/468340574.db2.gz HACZGYZTMZFFAS-HNNXBMFYSA-N -1 3 339.436 2.096 20 30 EEEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1c2ccccc2C[C@H]1O ZINC000159864951 463308041 /nfs/dbraw/zinc/30/80/41/463308041.db2.gz IEQAXUJAPBMGEW-ZBFHGGJFSA-N -1 3 348.811 2.148 20 30 EEEDHM C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)Cc2ccccc2C)c1 ZINC000069780364 463326243 /nfs/dbraw/zinc/32/62/43/463326243.db2.gz IJDQTDRWFAJLBS-UHFFFAOYSA-N -1 3 342.420 2.034 20 30 EEEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000073970514 463675054 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C#CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001602718343 1350576896 /nfs/dbraw/zinc/57/68/96/1350576896.db2.gz SCWKVIRUVBQGCJ-UHFFFAOYSA-N -1 3 334.339 2.415 20 30 EEEDHM C#CCOc1cccc(NC(=O)c2ccc(C)c(-c3nnn[n-]3)c2)c1 ZINC001609021635 1351816733 /nfs/dbraw/zinc/81/67/33/1351816733.db2.gz OZGMWXRVJCBYDL-UHFFFAOYSA-N -1 3 333.351 2.439 20 30 EEEDHM C#CCOc1cccc(NC(=O)c2ccc(C)c(-c3nn[n-]n3)c2)c1 ZINC001609021635 1351816739 /nfs/dbraw/zinc/81/67/39/1351816739.db2.gz OZGMWXRVJCBYDL-UHFFFAOYSA-N -1 3 333.351 2.439 20 30 EEEDHM C#CCOc1ccc(COC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001609021730 1351817431 /nfs/dbraw/zinc/81/74/31/1351817431.db2.gz ZPEBWXZFCYHVRO-UHFFFAOYSA-N -1 3 348.362 2.165 20 30 EEEDHM C#CCOc1ccc(COC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001609021730 1351817433 /nfs/dbraw/zinc/81/74/33/1351817433.db2.gz ZPEBWXZFCYHVRO-UHFFFAOYSA-N -1 3 348.362 2.165 20 30 EEEDHM C=CCN(CCC#N)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001609055510 1351825430 /nfs/dbraw/zinc/82/54/30/1351825430.db2.gz 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EEEDHM C#CCN(c1nnc(-c2cnc[n-]c2=O)n1C)[C@H]1CCc2ccccc21 ZINC001339992994 1337108189 /nfs/dbraw/zinc/10/81/89/1337108189.db2.gz ZMYASSHDTCNUKQ-INIZCTEOSA-N -1 3 346.394 2.105 20 30 EEEDHM C=CCC[C@@H]1CCCN1c1nnc(CCc2nnn[n-]2)n1CC(=C)C ZINC001342201502 1337311115 /nfs/dbraw/zinc/31/11/15/1337311115.db2.gz ADHFROAFAQKXIU-CQSZACIVSA-N -1 3 342.451 2.088 20 30 EEEDHM C=CCC[C@@H]1CCCN1c1nnc(CCc2nn[n-]n2)n1CC(=C)C ZINC001342201502 1337311117 /nfs/dbraw/zinc/31/11/17/1337311117.db2.gz ADHFROAFAQKXIU-CQSZACIVSA-N -1 3 342.451 2.088 20 30 EEEDHM N#CCc1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001581859699 1344680568 /nfs/dbraw/zinc/68/05/68/1344680568.db2.gz QRJBBHJAUCQXCR-UHFFFAOYSA-N -1 3 333.355 2.254 20 30 EEEDHM N#CCc1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001581859699 1344680571 /nfs/dbraw/zinc/68/05/71/1344680571.db2.gz QRJBBHJAUCQXCR-UHFFFAOYSA-N -1 3 333.355 2.254 20 30 EEEDHM N#CCc1ccsc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001581859230 1344680585 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EEEDHM C=C[C@H](CC)CC(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001588523851 1348912376 /nfs/dbraw/zinc/91/23/76/1348912376.db2.gz MQUDQWCROPDQDJ-QWHCGFSZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@H]1CCCCN1C(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588527488 1348913674 /nfs/dbraw/zinc/91/36/74/1348913674.db2.gz LPCRTYDXQFMPCY-CVEARBPZSA-N -1 3 338.415 2.084 20 30 EEEDHM C=C[C@H]1CCCCN1C(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588527488 1348913676 /nfs/dbraw/zinc/91/36/76/1348913676.db2.gz LPCRTYDXQFMPCY-CVEARBPZSA-N -1 3 338.415 2.084 20 30 EEEDHM C=CC1CCN(C(=O)N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC001588527445 1348913743 /nfs/dbraw/zinc/91/37/43/1348913743.db2.gz KIZUKHVIIRXCSS-MRXNPFEDSA-N -1 3 338.415 2.462 20 30 EEEDHM C=CC1CCN(C(=O)N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC001588527445 1348913744 /nfs/dbraw/zinc/91/37/44/1348913744.db2.gz KIZUKHVIIRXCSS-MRXNPFEDSA-N -1 3 338.415 2.462 20 30 EEEDHM C=CCC1(C(=O)OCCNc2ncccc2-c2nnn[n-]2)CCCC1 ZINC001588556212 1348915992 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C=CCN(Cc1ccccc1)C(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588653653 1348927347 /nfs/dbraw/zinc/92/73/47/1348927347.db2.gz SCOBWVVOGIYTMW-UHFFFAOYSA-N -1 3 334.383 2.399 20 30 EEEDHM C=CCN(Cc1ccccc1)C(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588653653 1348927351 /nfs/dbraw/zinc/92/73/51/1348927351.db2.gz SCOBWVVOGIYTMW-UHFFFAOYSA-N -1 3 334.383 2.399 20 30 EEEDHM C=CCN1c2ccccc2C(=NNc2cccc(-c3nnn[n-]3)c2)C1=O ZINC001588654991 1348928465 /nfs/dbraw/zinc/92/84/65/1348928465.db2.gz TZYYQSAIVGJPTE-UHFFFAOYSA-N -1 3 345.366 2.216 20 30 EEEDHM C=CCN1c2ccccc2C(=NNc2cccc(-c3nn[n-]n3)c2)C1=O ZINC001588654991 1348928470 /nfs/dbraw/zinc/92/84/70/1348928470.db2.gz TZYYQSAIVGJPTE-UHFFFAOYSA-N -1 3 345.366 2.216 20 30 EEEDHM CC(C)(Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1coc(C#N)c1 ZINC001589307169 1348981276 /nfs/dbraw/zinc/98/12/76/1348981276.db2.gz KIWSXNAAJZDSJZ-UHFFFAOYSA-N -1 3 336.355 2.082 20 30 EEEDHM CC(C)(Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1coc(C#N)c1 ZINC001589307169 1348981282 /nfs/dbraw/zinc/98/12/82/1348981282.db2.gz KIWSXNAAJZDSJZ-UHFFFAOYSA-N -1 3 336.355 2.082 20 30 EEEDHM CC(C)(NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1cccc(-c2nnn[n-]2)c1 ZINC001589317082 1348982615 /nfs/dbraw/zinc/98/26/15/1348982615.db2.gz GSUIAPGIJNQTRN-SMDDNHRTSA-N -1 3 339.403 2.093 20 30 EEEDHM CC(C)(NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1cccc(-c2nn[n-]n2)c1 ZINC001589317082 1348982619 /nfs/dbraw/zinc/98/26/19/1348982619.db2.gz GSUIAPGIJNQTRN-SMDDNHRTSA-N -1 3 339.403 2.093 20 30 EEEDHM C[C@H](CC#N)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001589786624 1349041587 /nfs/dbraw/zinc/04/15/87/1349041587.db2.gz JKFDKMPUCNWJKK-SSDOTTSWSA-N -1 3 340.265 2.254 20 30 EEEDHM C[C@H](CC#N)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001589786624 1349041592 /nfs/dbraw/zinc/04/15/92/1349041592.db2.gz JKFDKMPUCNWJKK-SSDOTTSWSA-N -1 3 340.265 2.254 20 30 EEEDHM C[C@@H](NC(=O)c1ccc(C#N)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001589945229 1349072948 /nfs/dbraw/zinc/07/29/48/1349072948.db2.gz MXMCPDXNQIWHQV-SNVBAGLBSA-N -1 3 336.330 2.368 20 30 EEEDHM C[C@@H](NC(=O)c1ccc(C#N)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001589945229 1349072952 /nfs/dbraw/zinc/07/29/52/1349072952.db2.gz MXMCPDXNQIWHQV-SNVBAGLBSA-N -1 3 336.330 2.368 20 30 EEEDHM C[C@@]1(C#N)CN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CCO1 ZINC001590056350 1349134864 /nfs/dbraw/zinc/13/48/64/1349134864.db2.gz HWBIPANJMDBDNL-CYBMUJFWSA-N -1 3 338.293 2.004 20 30 EEEDHM CC[C@@H](NCc1nc(C#N)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC001590469847 1349345139 /nfs/dbraw/zinc/34/51/39/1349345139.db2.gz RJKVYQVMNZJJNU-CYBMUJFWSA-N -1 3 325.401 2.436 20 30 EEEDHM Cc1c(Cl)cnc(NCC#C[C@H]2CCCCO2)c1-c1nnn[n-]1 ZINC001591822074 1349540427 /nfs/dbraw/zinc/54/04/27/1349540427.db2.gz SKXIOVQZNOGUBG-LLVKDONJSA-N -1 3 332.795 2.208 20 30 EEEDHM Cc1c(Cl)cnc(NCC#C[C@H]2CCCCO2)c1-c1nn[n-]n1 ZINC001591822074 1349540435 /nfs/dbraw/zinc/54/04/35/1349540435.db2.gz SKXIOVQZNOGUBG-LLVKDONJSA-N -1 3 332.795 2.208 20 30 EEEDHM Cc1cc(C)c(-c2nnn[n-]2)c(N(C)Cc2cc(C#N)cs2)n1 ZINC001591938668 1349563333 /nfs/dbraw/zinc/56/33/33/1349563333.db2.gz BBZPOLCDONRTJI-UHFFFAOYSA-N -1 3 325.401 2.448 20 30 EEEDHM Cc1cc(C)c(-c2nn[n-]n2)c(N(C)Cc2cc(C#N)cs2)n1 ZINC001591938668 1349563335 /nfs/dbraw/zinc/56/33/35/1349563335.db2.gz BBZPOLCDONRTJI-UHFFFAOYSA-N -1 3 325.401 2.448 20 30 EEEDHM Cc1ccc(C(=O)Oc2cccc(OCC#N)c2)cc1-c1nnn[n-]1 ZINC001592132350 1349594315 /nfs/dbraw/zinc/59/43/15/1349594315.db2.gz LDCIRNBXZCRDAP-UHFFFAOYSA-N -1 3 335.323 2.297 20 30 EEEDHM Cc1ccc(C(=O)Oc2cccc(OCC#N)c2)cc1-c1nn[n-]n1 ZINC001592132350 1349594319 /nfs/dbraw/zinc/59/43/19/1349594319.db2.gz LDCIRNBXZCRDAP-UHFFFAOYSA-N -1 3 335.323 2.297 20 30 EEEDHM FC(F)(F)c1cc(-c2nnn[n-]2)ccc1N=NC1CCCOC1 ZINC001592620077 1349675525 /nfs/dbraw/zinc/67/55/25/1349675525.db2.gz MXKBLDLYNSTSPN-UHFFFAOYSA-N -1 3 326.282 2.464 20 30 EEEDHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N=NC1CCCOC1 ZINC001592620077 1349675528 /nfs/dbraw/zinc/67/55/28/1349675528.db2.gz MXKBLDLYNSTSPN-UHFFFAOYSA-N -1 3 326.282 2.464 20 30 EEEDHM N#C[C@@H]1CCCN(c2cccc(Br)c2-c2nnn[n-]2)C1 ZINC001592672671 1349704066 /nfs/dbraw/zinc/70/40/66/1349704066.db2.gz MCNBFJOXAOIYNH-VIFPVBQESA-N -1 3 333.193 2.369 20 30 EEEDHM N#C[C@@H]1CCCN(c2cccc(Br)c2-c2nn[n-]n2)C1 ZINC001592672671 1349704070 /nfs/dbraw/zinc/70/40/70/1349704070.db2.gz MCNBFJOXAOIYNH-VIFPVBQESA-N -1 3 333.193 2.369 20 30 EEEDHM N#CC1CCC(CNC(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)CC1 ZINC001592671615 1349704255 /nfs/dbraw/zinc/70/42/55/1349704255.db2.gz SHFUZJQXNWBKMS-UHFFFAOYSA-N -1 3 349.398 2.408 20 30 EEEDHM N#Cc1cc(Oc2ccc(Br)cc2-c2nnn[n-]2)ncn1 ZINC001592690163 1349706137 /nfs/dbraw/zinc/70/61/37/1349706137.db2.gz NTVPHGKINYIVIL-UHFFFAOYSA-N -1 3 344.132 2.083 20 30 EEEDHM N#Cc1cc(Oc2ccc(Br)cc2-c2nn[n-]n2)ncn1 ZINC001592690163 1349706138 /nfs/dbraw/zinc/70/61/38/1349706138.db2.gz NTVPHGKINYIVIL-UHFFFAOYSA-N -1 3 344.132 2.083 20 30 EEEDHM N#Cc1ccc(N2Cc3cccc(-c4nnn[n-]4)c3C2)c([N+](=O)[O-])c1 ZINC001592695571 1349707901 /nfs/dbraw/zinc/70/79/01/1349707901.db2.gz WKTYHUVXISXCBF-UHFFFAOYSA-N -1 3 333.311 2.167 20 30 EEEDHM N#Cc1ccc(N2Cc3cccc(-c4nn[n-]n4)c3C2)c([N+](=O)[O-])c1 ZINC001592695571 1349707903 /nfs/dbraw/zinc/70/79/03/1349707903.db2.gz WKTYHUVXISXCBF-UHFFFAOYSA-N -1 3 333.311 2.167 20 30 EEEDHM c1cc(-c2nnn[n-]2)sc1CON=C1CCC2(CC1)OCCO2 ZINC001593552100 1349845000 /nfs/dbraw/zinc/84/50/00/1349845000.db2.gz ZRGGSDBTJMGUMK-UHFFFAOYSA-N -1 3 335.389 2.118 20 30 EEEDHM C#CC1(NC(=O)N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)CCCC1 ZINC001602690915 1350573462 /nfs/dbraw/zinc/57/34/62/1350573462.db2.gz MCJJNHRRCFVAEK-OAHLLOKOSA-N -1 3 336.399 2.099 20 30 EEEDHM C#CC1(NC(=O)N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)CCCC1 ZINC001602690915 1350573466 /nfs/dbraw/zinc/57/34/66/1350573466.db2.gz MCJJNHRRCFVAEK-OAHLLOKOSA-N -1 3 336.399 2.099 20 30 EEEDHM C#C[C@@H](CC)Nc1c(-c2nnn[n-]2)cnc2c(F)c(F)c(F)cc21 ZINC001602689302 1350573629 /nfs/dbraw/zinc/57/36/29/1350573629.db2.gz QKJWKDOLVOJKLF-ZETCQYMHSA-N -1 3 332.289 2.078 20 30 EEEDHM C#C[C@@H](CC)Nc1c(-c2nn[n-]n2)cnc2c(F)c(F)c(F)cc21 ZINC001602689302 1350573634 /nfs/dbraw/zinc/57/36/34/1350573634.db2.gz QKJWKDOLVOJKLF-ZETCQYMHSA-N -1 3 332.289 2.078 20 30 EEEDHM C=C(C)C[C@H](NC(=O)[C@H](NC(C)C)c1ccc(OC)cc1)C(=O)[O-] ZINC001602749320 1350580704 /nfs/dbraw/zinc/58/07/04/1350580704.db2.gz DSRRZRVQMZFDSL-JKSUJKDBSA-N -1 3 334.416 2.270 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N1CC(Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001602752107 1350581512 /nfs/dbraw/zinc/58/15/12/1350581512.db2.gz YSMXVSOCNMGMBB-UHFFFAOYSA-N -1 3 327.388 2.059 20 30 EEEDHM C=C(C)CN(CC)C(=O)COc1cc(Cl)cc(-c2nnn[n-]2)c1 ZINC001602758737 1350582738 /nfs/dbraw/zinc/58/27/38/1350582738.db2.gz QGDHJTDEUDAQQO-UHFFFAOYSA-N -1 3 335.795 2.324 20 30 EEEDHM C=C(C)CN(CC)C(=O)COc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001602758737 1350582742 /nfs/dbraw/zinc/58/27/42/1350582742.db2.gz QGDHJTDEUDAQQO-UHFFFAOYSA-N -1 3 335.795 2.324 20 30 EEEDHM C=C[C@](C)(CCOC)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC001602794935 1350587571 /nfs/dbraw/zinc/58/75/71/1350587571.db2.gz OTFRMQNJZXHUPZ-MRXNPFEDSA-N -1 3 334.351 2.278 20 30 EEEDHM C=C[C@](C)(CCOC)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC001602794935 1350587572 /nfs/dbraw/zinc/58/75/72/1350587572.db2.gz OTFRMQNJZXHUPZ-MRXNPFEDSA-N -1 3 334.351 2.278 20 30 EEEDHM C=C[C@H](CC)CC(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001602801101 1350588465 /nfs/dbraw/zinc/58/84/65/1350588465.db2.gz RIPGINAGRCLXFO-DGCLKSJQSA-N -1 3 343.435 2.089 20 30 EEEDHM C=C[C@H](CC)CC(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001602801101 1350588469 /nfs/dbraw/zinc/58/84/69/1350588469.db2.gz RIPGINAGRCLXFO-DGCLKSJQSA-N -1 3 343.435 2.089 20 30 EEEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001602822657 1350591184 /nfs/dbraw/zinc/59/11/84/1350591184.db2.gz DHCDKMCBAGURAU-CQSZACIVSA-N -1 3 325.372 2.007 20 30 EEEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001602822657 1350591185 /nfs/dbraw/zinc/59/11/85/1350591185.db2.gz DHCDKMCBAGURAU-CQSZACIVSA-N -1 3 325.372 2.007 20 30 EEEDHM C=CCCC(=O)N1CCC(Nc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001602824368 1350591592 /nfs/dbraw/zinc/59/15/92/1350591592.db2.gz KXAFJFSHSKYCRN-UHFFFAOYSA-N -1 3 344.394 2.375 20 30 EEEDHM C=CCCC(=O)N1CCC(Nc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001602824368 1350591595 /nfs/dbraw/zinc/59/15/95/1350591595.db2.gz KXAFJFSHSKYCRN-UHFFFAOYSA-N -1 3 344.394 2.375 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)OCCOCCC ZINC001602856525 1350596988 /nfs/dbraw/zinc/59/69/88/1350596988.db2.gz MSPFWFUNJSWTNX-UHFFFAOYSA-N -1 3 345.403 2.418 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)OCCOCCC ZINC001602856525 1350596990 /nfs/dbraw/zinc/59/69/90/1350596990.db2.gz MSPFWFUNJSWTNX-UHFFFAOYSA-N -1 3 345.403 2.418 20 30 EEEDHM CCN1c2ccc(C)cc2C(=NNc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001604335568 1350918130 /nfs/dbraw/zinc/91/81/30/1350918130.db2.gz VYDDLOCNCAEIFY-UHFFFAOYSA-N -1 3 347.382 2.358 20 30 EEEDHM CN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cc(C#N)ccn1 ZINC001604658033 1350978894 /nfs/dbraw/zinc/97/88/94/1350978894.db2.gz HEGLJPVQIGWTCD-UHFFFAOYSA-N -1 3 339.746 2.063 20 30 EEEDHM CN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cc(C#N)ccn1 ZINC001604658033 1350978896 /nfs/dbraw/zinc/97/88/96/1350978896.db2.gz HEGLJPVQIGWTCD-UHFFFAOYSA-N -1 3 339.746 2.063 20 30 EEEDHM CN(CCc1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1[N+](=O)[O-] ZINC001604792215 1351005457 /nfs/dbraw/zinc/00/54/57/1351005457.db2.gz WVEGDJRFKRYKPP-UHFFFAOYSA-N -1 3 349.354 2.325 20 30 EEEDHM CN(CCc1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1[N+](=O)[O-] ZINC001604792215 1351005458 /nfs/dbraw/zinc/00/54/58/1351005458.db2.gz WVEGDJRFKRYKPP-UHFFFAOYSA-N -1 3 349.354 2.325 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](CC#N)c1ccccc1 ZINC001605175855 1351095608 /nfs/dbraw/zinc/09/56/08/1351095608.db2.gz HJQFWMYCNWZBLQ-AWEZNQCLSA-N -1 3 349.350 2.478 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](CC#N)c1ccccc1 ZINC001605175855 1351095610 /nfs/dbraw/zinc/09/56/10/1351095610.db2.gz HJQFWMYCNWZBLQ-AWEZNQCLSA-N -1 3 349.350 2.478 20 30 EEEDHM Cc1cc(C(N)=NOCc2ccc(-c3nnn[n-]3)c(F)c2)ccc1F ZINC001605633727 1351205981 /nfs/dbraw/zinc/20/59/81/1351205981.db2.gz KDXUDARYVUNWDU-UHFFFAOYSA-N -1 3 344.325 2.290 20 30 EEEDHM Cc1cc(C(N)=NOCc2ccc(-c3nn[n-]n3)c(F)c2)ccc1F ZINC001605633727 1351205983 /nfs/dbraw/zinc/20/59/83/1351205983.db2.gz KDXUDARYVUNWDU-UHFFFAOYSA-N -1 3 344.325 2.290 20 30 EEEDHM Cc1ncccc1C=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001606094200 1351269481 /nfs/dbraw/zinc/26/94/81/1351269481.db2.gz HBGSHOYGHWMRFN-DAXSKMNVSA-N -1 3 331.339 2.094 20 30 EEEDHM Cc1ncccc1C=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001606094200 1351269484 /nfs/dbraw/zinc/26/94/84/1351269484.db2.gz HBGSHOYGHWMRFN-DAXSKMNVSA-N -1 3 331.339 2.094 20 30 EEEDHM N#CC1(CNC(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)CCC1 ZINC001606344129 1351295187 /nfs/dbraw/zinc/29/51/87/1351295187.db2.gz YKWWLENMSJJVGM-UHFFFAOYSA-N -1 3 345.794 2.013 20 30 EEEDHM N#CC1(CNC(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)CCC1 ZINC001606344129 1351295190 /nfs/dbraw/zinc/29/51/90/1351295190.db2.gz YKWWLENMSJJVGM-UHFFFAOYSA-N -1 3 345.794 2.013 20 30 EEEDHM N#Cc1nc(N)n(Cc2ccc(-c3ccccc3)cc2)c1-c1nnn[n-]1 ZINC001606389427 1351300687 /nfs/dbraw/zinc/30/06/87/1351300687.db2.gz OMDHDMVQCGUVRX-UHFFFAOYSA-N -1 3 342.366 2.232 20 30 EEEDHM N#Cc1nc(N)n(Cc2ccc(-c3ccccc3)cc2)c1-c1nn[n-]n1 ZINC001606389427 1351300691 /nfs/dbraw/zinc/30/06/91/1351300691.db2.gz OMDHDMVQCGUVRX-UHFFFAOYSA-N -1 3 342.366 2.232 20 30 EEEDHM O=C(CC#Cc1ccccc1)N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001606488468 1351310604 /nfs/dbraw/zinc/31/06/04/1351310604.db2.gz LGJJZTSLKQRLEY-UHFFFAOYSA-N -1 3 329.363 2.198 20 30 EEEDHM O=C(CC#Cc1ccccc1)N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001606488468 1351310605 /nfs/dbraw/zinc/31/06/05/1351310605.db2.gz LGJJZTSLKQRLEY-UHFFFAOYSA-N -1 3 329.363 2.198 20 30 EEEDHM COc1cc(C#N)ccc1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001579888822 1403792081 /nfs/dbraw/zinc/79/20/81/1403792081.db2.gz QIZKLFJXKBYWBE-LLVKDONJSA-N -1 3 348.366 2.238 20 30 EEEDHM COc1cc(C#N)ccc1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001579888822 1403792088 /nfs/dbraw/zinc/79/20/88/1403792088.db2.gz QIZKLFJXKBYWBE-LLVKDONJSA-N -1 3 348.366 2.238 20 30 EEEDHM N#Cc1ccc(NC(=O)[C@@]2(C#N)CC3CCC2CC3)cc1-c1nnn[n-]1 ZINC001592694951 1404715630 /nfs/dbraw/zinc/71/56/30/1404715630.db2.gz ATTBJTCWOSDSSE-LJMKFJKQSA-N -1 3 347.382 2.397 20 30 EEEDHM N#Cc1ccc(NC(=O)[C@@]2(C#N)CC3CCC2CC3)cc1-c1nn[n-]n1 ZINC001592694951 1404715634 /nfs/dbraw/zinc/71/56/34/1404715634.db2.gz ATTBJTCWOSDSSE-LJMKFJKQSA-N -1 3 347.382 2.397 20 30 EEEDHM N#Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC001592693362 1404716382 /nfs/dbraw/zinc/71/63/82/1404716382.db2.gz XHGPITBMYYKREP-UHFFFAOYSA-N -1 3 344.787 2.383 20 30 EEEDHM N#Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC001592693362 1404716384 /nfs/dbraw/zinc/71/63/84/1404716384.db2.gz XHGPITBMYYKREP-UHFFFAOYSA-N -1 3 344.787 2.383 20 30 EEEDHM N#CCCN(CC1CC1)C(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001606347938 1404799870 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EEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H](OC(C)C)C1 ZINC001339655734 1337045233 /nfs/dbraw/zinc/04/52/33/1337045233.db2.gz AWBAFJWKITTWKE-GFCCVEGCSA-N -1 3 333.392 2.219 20 30 EEEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(C)C[C@H]1CC1(C)C ZINC001343581495 1337338912 /nfs/dbraw/zinc/33/89/12/1337338912.db2.gz SCQCSICVHGFOSU-GFCCVEGCSA-N -1 3 328.420 2.499 20 30 EEEDHM Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@@H](C(=O)[O-])[C@H]2C)c1 ZINC001610454766 1352224966 /nfs/dbraw/zinc/22/49/66/1352224966.db2.gz RBPVONHUABHXNL-NVXWUHKLSA-N -1 3 343.427 2.345 20 30 EEEDHM Cc1cc(NC(=O)Cc2ccccc2CC#N)cc(-c2nnn[n-]2)c1 ZINC001580980579 1344577952 /nfs/dbraw/zinc/57/79/52/1344577952.db2.gz GNVFUXGCCJVFMD-UHFFFAOYSA-N -1 3 332.367 2.422 20 30 EEEDHM Cc1cc(NC(=O)Cc2ccccc2CC#N)cc(-c2nn[n-]n2)c1 ZINC001580980579 1344577953 /nfs/dbraw/zinc/57/79/53/1344577953.db2.gz GNVFUXGCCJVFMD-UHFFFAOYSA-N -1 3 332.367 2.422 20 30 EEEDHM N#CCOc1cccc(NC(=O)c2csc(-c3nnn[n-]3)c2)c1 ZINC001581858395 1344679424 /nfs/dbraw/zinc/67/94/24/1344679424.db2.gz DMUMRJYVWQVNHX-UHFFFAOYSA-N -1 3 326.341 2.083 20 30 EEEDHM C#Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)nc1 ZINC001588373848 1348896546 /nfs/dbraw/zinc/89/65/46/1348896546.db2.gz VDEVVKQPEKEBMP-UHFFFAOYSA-N -1 3 330.351 2.373 20 30 EEEDHM C#Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)nc1 ZINC001588373848 1348896551 /nfs/dbraw/zinc/89/65/51/1348896551.db2.gz VDEVVKQPEKEBMP-UHFFFAOYSA-N -1 3 330.351 2.373 20 30 EEEDHM C=C1CN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC001588462884 1348907411 /nfs/dbraw/zinc/90/74/11/1348907411.db2.gz SMKFXELPFCEXIN-UHFFFAOYSA-N -1 3 347.378 2.458 20 30 EEEDHM C=CC(C)(C)C(=O)NC[C@@H](Nc1ncccc1-c1nnn[n-]1)C(C)C ZINC001588474032 1348907436 /nfs/dbraw/zinc/90/74/36/1348907436.db2.gz BISRNLNZNIPKBM-CYBMUJFWSA-N -1 3 343.435 2.027 20 30 EEEDHM C=CC(C)(C)C(=O)NC[C@@H](Nc1ncccc1-c1nn[n-]n1)C(C)C ZINC001588474032 1348907439 /nfs/dbraw/zinc/90/74/39/1348907439.db2.gz BISRNLNZNIPKBM-CYBMUJFWSA-N -1 3 343.435 2.027 20 30 EEEDHM C=CC(C)(C)CC(=O)NC[C@@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588483462 1348907889 /nfs/dbraw/zinc/90/78/89/1348907889.db2.gz LAHQHTOVLAOJCK-SECBINFHSA-N -1 3 349.464 2.151 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001588495411 1348910494 /nfs/dbraw/zinc/91/04/94/1348910494.db2.gz DRKWQQXQOISLND-AWEZNQCLSA-N -1 3 335.389 2.012 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001588495411 1348910497 /nfs/dbraw/zinc/91/04/97/1348910497.db2.gz DRKWQQXQOISLND-AWEZNQCLSA-N -1 3 335.389 2.012 20 30 EEEDHM C=C[C@@H](C)NC(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001588515901 1348911205 /nfs/dbraw/zinc/91/12/05/1348911205.db2.gz KNHWSJNYWHVEFB-LDYMZIIASA-N -1 3 340.309 2.344 20 30 EEEDHM C=C[C@@H](C)NC(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001588515901 1348911208 /nfs/dbraw/zinc/91/12/08/1348911208.db2.gz KNHWSJNYWHVEFB-LDYMZIIASA-N -1 3 340.309 2.344 20 30 EEEDHM C=C[C@H](NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C(=O)OC ZINC001588525843 1348913867 /nfs/dbraw/zinc/91/38/67/1348913867.db2.gz LIMDMQXRDLHHGQ-KRWDZBQOSA-N -1 3 349.394 2.351 20 30 EEEDHM C=C[C@H](NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C(=O)OC ZINC001588525843 1348913870 /nfs/dbraw/zinc/91/38/70/1348913870.db2.gz LIMDMQXRDLHHGQ-KRWDZBQOSA-N -1 3 349.394 2.351 20 30 EEEDHM C=CCC1(NC(=O)Nc2cnc(OC)c(-c3nnn[n-]3)c2)CCCC1 ZINC001588557693 1348916802 /nfs/dbraw/zinc/91/68/02/1348916802.db2.gz UEDCNEPDOKMWKR-UHFFFAOYSA-N -1 3 343.391 2.281 20 30 EEEDHM C=CCN(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1[C@@H]1C[C@@H]1C ZINC001588626594 1348924533 /nfs/dbraw/zinc/92/45/33/1348924533.db2.gz MCACZEIDHVZJHK-SMDDNHRTSA-N -1 3 336.403 2.328 20 30 EEEDHM C=CCN(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1[C@@H]1C[C@@H]1C ZINC001588626594 1348924535 /nfs/dbraw/zinc/92/45/35/1348924535.db2.gz MCACZEIDHVZJHK-SMDDNHRTSA-N -1 3 336.403 2.328 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnc(C)s1 ZINC001588648945 1348926985 /nfs/dbraw/zinc/92/69/85/1348926985.db2.gz WMVIWDJIBYOFHB-UHFFFAOYSA-N -1 3 340.412 2.460 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnc(C)s1 ZINC001588648945 1348926988 /nfs/dbraw/zinc/92/69/88/1348926988.db2.gz WMVIWDJIBYOFHB-UHFFFAOYSA-N -1 3 340.412 2.460 20 30 EEEDHM C=CCOc1cccc(NC(=O)c2cc(C)c(-c3nnn[n-]3)cn2)c1 ZINC001588689306 1348928875 /nfs/dbraw/zinc/92/88/75/1348928875.db2.gz DTNZZEDSNPNCCW-UHFFFAOYSA-N -1 3 336.355 2.387 20 30 EEEDHM C=CCOc1cccc(NC(=O)c2cc(C)c(-c3nn[n-]n3)cn2)c1 ZINC001588689306 1348928880 /nfs/dbraw/zinc/92/88/80/1348928880.db2.gz DTNZZEDSNPNCCW-UHFFFAOYSA-N -1 3 336.355 2.387 20 30 EEEDHM C=CCOCCCNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC001588683197 1348928952 /nfs/dbraw/zinc/92/89/52/1348928952.db2.gz ZENMXXQAXWMLTJ-UHFFFAOYSA-N -1 3 347.423 2.137 20 30 EEEDHM C=CCOCCCNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC001588683197 1348928954 /nfs/dbraw/zinc/92/89/54/1348928954.db2.gz ZENMXXQAXWMLTJ-UHFFFAOYSA-N -1 3 347.423 2.137 20 30 EEEDHM CC#CCCCC(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001588746431 1348932146 /nfs/dbraw/zinc/93/21/46/1348932146.db2.gz RIWMLMOXKULTKR-UHFFFAOYSA-N -1 3 328.372 2.372 20 30 EEEDHM CC#CCCCC(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001588746431 1348932150 /nfs/dbraw/zinc/93/21/50/1348932150.db2.gz RIWMLMOXKULTKR-UHFFFAOYSA-N -1 3 328.372 2.372 20 30 EEEDHM CC(C)C[C@H](C#N)NC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589536629 1349001944 /nfs/dbraw/zinc/00/19/44/1349001944.db2.gz AHNNRMVDNHPVIY-IUODEOHRSA-N -1 3 326.404 2.100 20 30 EEEDHM CC(C)C[C@H](C#N)NC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589536629 1349001947 /nfs/dbraw/zinc/00/19/47/1349001947.db2.gz AHNNRMVDNHPVIY-IUODEOHRSA-N -1 3 326.404 2.100 20 30 EEEDHM CC(C)N1c2ccccc2C(=NNc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001589709422 1349021592 /nfs/dbraw/zinc/02/15/92/1349021592.db2.gz JGBGIHQRDLJZPS-UHFFFAOYSA-N -1 3 347.382 2.438 20 30 EEEDHM CC(C)c1ccc2ncc(-c3nnn[n-]3)c(N3CCO[C@H](C#N)C3)c2c1 ZINC001589770810 1349035413 /nfs/dbraw/zinc/03/54/13/1349035413.db2.gz LXRRVFXCXXFYKI-CYBMUJFWSA-N -1 3 349.398 2.267 20 30 EEEDHM CC(C)c1ccc2ncc(-c3nn[n-]n3)c(N3CCO[C@H](C#N)C3)c2c1 ZINC001589770810 1349035417 /nfs/dbraw/zinc/03/54/17/1349035417.db2.gz LXRRVFXCXXFYKI-CYBMUJFWSA-N -1 3 349.398 2.267 20 30 EEEDHM C[C@@H](OC1CCCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001590015323 1349107698 /nfs/dbraw/zinc/10/76/98/1349107698.db2.gz DYZPAHXYRNKLHI-LLVKDONJSA-N -1 3 340.387 2.415 20 30 EEEDHM C[C@@H](OC1CCCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001590015323 1349107712 /nfs/dbraw/zinc/10/77/12/1349107712.db2.gz DYZPAHXYRNKLHI-LLVKDONJSA-N -1 3 340.387 2.415 20 30 EEEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1ccc(C#N)cc1 ZINC001590030778 1349118697 /nfs/dbraw/zinc/11/86/97/1349118697.db2.gz HOQOYDDCKDKLPS-LLVKDONJSA-N -1 3 335.323 2.111 20 30 EEEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1ccc(C#N)cc1 ZINC001590030778 1349118704 /nfs/dbraw/zinc/11/87/04/1349118704.db2.gz HOQOYDDCKDKLPS-LLVKDONJSA-N -1 3 335.323 2.111 20 30 EEEDHM CCn1cncc1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2 ZINC001590964368 1349425285 /nfs/dbraw/zinc/42/52/85/1349425285.db2.gz WMRRSMDPVMFRSO-SREVYHEPSA-N -1 3 337.387 2.035 20 30 EEEDHM CCn1cncc1C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2 ZINC001590964368 1349425289 /nfs/dbraw/zinc/42/52/89/1349425289.db2.gz WMRRSMDPVMFRSO-SREVYHEPSA-N -1 3 337.387 2.035 20 30 EEEDHM CN(C(=O)C=Cc1ccccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC001590978890 1349426461 /nfs/dbraw/zinc/42/64/61/1349426461.db2.gz YAAIDAHDFHCEKP-MDZDMXLPSA-N -1 3 330.351 2.415 20 30 EEEDHM CN(C(=O)C=Cc1ccccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC001590978890 1349426465 /nfs/dbraw/zinc/42/64/65/1349426465.db2.gz YAAIDAHDFHCEKP-MDZDMXLPSA-N -1 3 330.351 2.415 20 30 EEEDHM Cc1c(C(=O)OCCOc2ccccc2C#N)cccc1-c1nnn[n-]1 ZINC001591812580 1349538762 /nfs/dbraw/zinc/53/87/62/1349538762.db2.gz FWHOSMGUIALPLV-UHFFFAOYSA-N -1 3 349.350 2.283 20 30 EEEDHM Cc1c(C(=O)OCCOc2ccccc2C#N)cccc1-c1nn[n-]n1 ZINC001591812580 1349538773 /nfs/dbraw/zinc/53/87/73/1349538773.db2.gz FWHOSMGUIALPLV-UHFFFAOYSA-N -1 3 349.350 2.283 20 30 EEEDHM Cc1cc(C#N)nc(NC(C)(C)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001591906832 1349554556 /nfs/dbraw/zinc/55/45/56/1349554556.db2.gz KAWGUPVFHFUAMB-UHFFFAOYSA-N -1 3 334.387 2.270 20 30 EEEDHM Cc1cc(C#N)nc(NC(C)(C)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001591906832 1349554563 /nfs/dbraw/zinc/55/45/63/1349554563.db2.gz KAWGUPVFHFUAMB-UHFFFAOYSA-N -1 3 334.387 2.270 20 30 EEEDHM Cn1ncc(Cl)c1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001592601294 1349668457 /nfs/dbraw/zinc/66/84/57/1349668457.db2.gz YASLMUZEZQHRPK-POHAHGRESA-N -1 3 326.747 2.076 20 30 EEEDHM Cn1ncc(Cl)c1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001592601294 1349668460 /nfs/dbraw/zinc/66/84/60/1349668460.db2.gz YASLMUZEZQHRPK-POHAHGRESA-N -1 3 326.747 2.076 20 30 EEEDHM N#Cc1cc(Cl)ncc1NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001592688200 1349704965 /nfs/dbraw/zinc/70/49/65/1349704965.db2.gz HRYTYHSGYOCOGD-UHFFFAOYSA-N -1 3 331.748 2.101 20 30 EEEDHM N#Cc1cc(NC(=O)[C@]2(C#N)CC3CCC2CC3)ccc1-c1nnn[n-]1 ZINC001592689539 1349706957 /nfs/dbraw/zinc/70/69/57/1349706957.db2.gz JTZMUNZHYRUNTQ-LPSAFJIBSA-N -1 3 347.382 2.397 20 30 EEEDHM N#Cc1cc(NC(=O)[C@]2(C#N)CC3CCC2CC3)ccc1-c1nn[n-]n1 ZINC001592689539 1349706964 /nfs/dbraw/zinc/70/69/64/1349706964.db2.gz JTZMUNZHYRUNTQ-LPSAFJIBSA-N -1 3 347.382 2.397 20 30 EEEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCC#Cc1ccccc1 ZINC001592798396 1349714463 /nfs/dbraw/zinc/71/44/63/1349714463.db2.gz PQZGOQDBALVAMS-SEYXRHQNSA-N -1 3 330.347 2.475 20 30 EEEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCC#Cc1ccccc1 ZINC001592798396 1349714468 /nfs/dbraw/zinc/71/44/68/1349714468.db2.gz PQZGOQDBALVAMS-SEYXRHQNSA-N -1 3 330.347 2.475 20 30 EEEDHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(O)CCCCc1ccccc1 ZINC001593337496 1349783526 /nfs/dbraw/zinc/78/35/26/1349783526.db2.gz IPQFSPUSFMHSOB-UHFFFAOYSA-N -1 3 338.371 2.116 20 30 EEEDHM O=C1C=C(NNc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@H]2CCCCN12 ZINC001593377913 1349794557 /nfs/dbraw/zinc/79/45/57/1349794557.db2.gz MLCSKHUKYJJPCU-CYBMUJFWSA-N -1 3 345.794 2.073 20 30 EEEDHM O=C1C=C(NNc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@H]2CCCCN12 ZINC001593377913 1349794565 /nfs/dbraw/zinc/79/45/65/1349794565.db2.gz MLCSKHUKYJJPCU-CYBMUJFWSA-N -1 3 345.794 2.073 20 30 EEEDHM C#C[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC001602688711 1350573582 /nfs/dbraw/zinc/57/35/82/1350573582.db2.gz LCCDWQVAMMWYOK-ZDUSSCGKSA-N -1 3 338.758 2.019 20 30 EEEDHM C#C[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC001602688711 1350573584 /nfs/dbraw/zinc/57/35/84/1350573584.db2.gz LCCDWQVAMMWYOK-ZDUSSCGKSA-N -1 3 338.758 2.019 20 30 EEEDHM C#C[C@H](Nc1cc(Br)ccc1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC001602690273 1350573774 /nfs/dbraw/zinc/57/37/74/1350573774.db2.gz AKCOCQIWSTVSBI-AAEUAGOBSA-N -1 3 348.204 2.222 20 30 EEEDHM C#C[C@H](Nc1cc(Br)ccc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001602690273 1350573776 /nfs/dbraw/zinc/57/37/76/1350573776.db2.gz AKCOCQIWSTVSBI-AAEUAGOBSA-N -1 3 348.204 2.222 20 30 EEEDHM C=C[C@H](CC)CC(=O)NCCN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001602799725 1350588540 /nfs/dbraw/zinc/58/85/40/1350588540.db2.gz GSEBENBWORWXAP-GFCCVEGCSA-N -1 3 346.410 2.161 20 30 EEEDHM C=C[C@H](CC)CC(=O)NCCN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001602799725 1350588542 /nfs/dbraw/zinc/58/85/42/1350588542.db2.gz GSEBENBWORWXAP-GFCCVEGCSA-N -1 3 346.410 2.161 20 30 EEEDHM C=C[C@@H](COC)NC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001602803571 1350588812 /nfs/dbraw/zinc/58/88/12/1350588812.db2.gz OEKPGKHKHHGDHY-NSHDSACASA-N -1 3 328.376 2.067 20 30 EEEDHM C=C[C@@H](COC)NC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001602803571 1350588816 /nfs/dbraw/zinc/58/88/16/1350588816.db2.gz OEKPGKHKHHGDHY-NSHDSACASA-N -1 3 328.376 2.067 20 30 EEEDHM C=CC[C@H](NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1ccncc1 ZINC001602816201 1350590413 /nfs/dbraw/zinc/59/04/13/1350590413.db2.gz KNUBLJYMURQHOQ-HNNXBMFYSA-N -1 3 338.346 2.448 20 30 EEEDHM C=CC[C@H](NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccncc1 ZINC001602816201 1350590415 /nfs/dbraw/zinc/59/04/15/1350590415.db2.gz KNUBLJYMURQHOQ-HNNXBMFYSA-N -1 3 338.346 2.448 20 30 EEEDHM C=CCOCCCCOC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001602870124 1350598753 /nfs/dbraw/zinc/59/87/53/1350598753.db2.gz IDCXAEPQCMHFLG-MDZDMXLPSA-N -1 3 328.372 2.406 20 30 EEEDHM C=CCOCCCCOC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001602870124 1350598754 /nfs/dbraw/zinc/59/87/54/1350598754.db2.gz IDCXAEPQCMHFLG-MDZDMXLPSA-N -1 3 328.372 2.406 20 30 EEEDHM CC(=[NH+][N-]c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(N)nc1 ZINC001602907895 1350603584 /nfs/dbraw/zinc/60/35/84/1350603584.db2.gz BYNUSCJOKZZWPW-UHFFFAOYSA-N -1 3 328.767 2.333 20 30 EEEDHM CC(=NNC1C[C@H](C)O[C@@H](C)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC001602906374 1350604408 /nfs/dbraw/zinc/60/44/08/1350604408.db2.gz MQPOXIRYQFGPEA-UWVGGRQHSA-N -1 3 332.383 2.275 20 30 EEEDHM CC(=NNC1C[C@H](C)O[C@@H](C)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC001602906374 1350604410 /nfs/dbraw/zinc/60/44/10/1350604410.db2.gz MQPOXIRYQFGPEA-UWVGGRQHSA-N -1 3 332.383 2.275 20 30 EEEDHM CC(C)CCCCNC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603279618 1350677935 /nfs/dbraw/zinc/67/79/35/1350677935.db2.gz SMCQIEVDKJRTIK-INIZCTEOSA-N -1 3 340.431 2.491 20 30 EEEDHM CCn1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(C2CC2)n1 ZINC001604605429 1350968292 /nfs/dbraw/zinc/96/82/92/1350968292.db2.gz WXWGATWYILMAIU-UHFFFAOYSA-N -1 3 348.370 2.084 20 30 EEEDHM CCn1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(C2CC2)n1 ZINC001604605429 1350968294 /nfs/dbraw/zinc/96/82/94/1350968294.db2.gz WXWGATWYILMAIU-UHFFFAOYSA-N -1 3 348.370 2.084 20 30 EEEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@]1(C#N)CC12CCCC2 ZINC001604802941 1351009143 /nfs/dbraw/zinc/00/91/43/1351009143.db2.gz AXMVXGWIMNDVPM-GOSISDBHSA-N -1 3 336.399 2.299 20 30 EEEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@]1(C#N)CC12CCCC2 ZINC001604802941 1351009146 /nfs/dbraw/zinc/00/91/46/1351009146.db2.gz AXMVXGWIMNDVPM-GOSISDBHSA-N -1 3 336.399 2.299 20 30 EEEDHM Cn1cc(C=NOCCC2CC2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001606238162 1351286635 /nfs/dbraw/zinc/28/66/35/1351286635.db2.gz YDYSCUHBDQKFHA-UHFFFAOYSA-N -1 3 337.387 2.418 20 30 EEEDHM Cn1cc(C=NOCCC2CC2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001606238162 1351286638 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C#Cc1ccc(CNC(=O)c2c(C)cc(-c3nn[n-]n3)cc2C)cc1 ZINC001573290248 946901035 /nfs/dbraw/zinc/90/10/35/946901035.db2.gz ICBAOISMBNFDFC-UHFFFAOYSA-N -1 3 331.379 2.395 20 30 EEEDHM C#Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)c(C)n2)c(Cl)c1 ZINC001573291347 946916416 /nfs/dbraw/zinc/91/64/16/946916416.db2.gz ZOSUUGFGNMEONE-UHFFFAOYSA-N -1 3 338.758 2.457 20 30 EEEDHM C#Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c(C)n2)c(Cl)c1 ZINC001573291347 946916422 /nfs/dbraw/zinc/91/64/22/946916422.db2.gz ZOSUUGFGNMEONE-UHFFFAOYSA-N -1 3 338.758 2.457 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)N[C@H](C)CNc1snc(C)c1-c1nnn[n-]1 ZINC001573309103 947190776 /nfs/dbraw/zinc/19/07/76/947190776.db2.gz COMXBPCNZKPISX-PSLIRLAXSA-N -1 3 349.464 2.151 20 30 EEEDHM C=CCN1CC[C@@H](N2CCC(c3ccccc3C(=O)[O-])CC2)C1=O ZINC001602722625 971386879 /nfs/dbraw/zinc/38/68/79/971386879.db2.gz CIUOBYLVFVXJNX-QGZVFWFLSA-N -1 3 328.412 2.351 20 30 EEEDHM Cc1ccc(CNC(=O)c2cc(-c3nnn[n-]3)ccc2F)cc1C#N ZINC001570933663 948903782 /nfs/dbraw/zinc/90/37/82/948903782.db2.gz 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EEEDHM C=CCCCC(=O)NC[C@H](CC)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588586486 1348920821 /nfs/dbraw/zinc/92/08/21/1348920821.db2.gz IEZULTKDAWNVGH-ZDUSSCGKSA-N -1 3 343.435 2.233 20 30 EEEDHM C=CCCO[C@H](C)C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588608443 1348922701 /nfs/dbraw/zinc/92/27/01/1348922701.db2.gz MGPDEUTWXFHINA-WBMJQRKESA-N -1 3 341.415 2.342 20 30 EEEDHM C=CCCO[C@H](C)C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588608443 1348922702 /nfs/dbraw/zinc/92/27/02/1348922702.db2.gz MGPDEUTWXFHINA-WBMJQRKESA-N -1 3 341.415 2.342 20 30 EEEDHM C=CCCCCCNS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588596701 1348922891 /nfs/dbraw/zinc/92/28/91/1348922891.db2.gz YHSDEGDMYGRZFV-UHFFFAOYSA-N -1 3 335.433 2.033 20 30 EEEDHM C=CCCCCCNS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588596701 1348922894 /nfs/dbraw/zinc/92/28/94/1348922894.db2.gz YHSDEGDMYGRZFV-UHFFFAOYSA-N -1 3 335.433 2.033 20 30 EEEDHM C=CCN(CC(F)(F)F)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588627871 1348924541 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Cc1cccc(N(CCC#N)C(=O)CNC2(CC(=O)[O-])CC2)c1C ZINC001600538596 1350076800 /nfs/dbraw/zinc/07/68/00/1350076800.db2.gz VTYISFGVNJJCDF-UHFFFAOYSA-N -1 3 329.400 2.147 20 30 EEEDHM C#C[C@@H](CC)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001602690402 1350573728 /nfs/dbraw/zinc/57/37/28/1350573728.db2.gz UYEYIAMAVJEDHL-AWEZNQCLSA-N -1 3 348.366 2.196 20 30 EEEDHM C#C[C@@H](CC)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001602690402 1350573732 /nfs/dbraw/zinc/57/37/32/1350573732.db2.gz UYEYIAMAVJEDHL-AWEZNQCLSA-N -1 3 348.366 2.196 20 30 EEEDHM C#C[C@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC001602689318 1350573908 /nfs/dbraw/zinc/57/39/08/1350573908.db2.gz QSCWKZRJULWYDQ-AWEZNQCLSA-N -1 3 326.404 2.056 20 30 EEEDHM C#C[C@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001602689318 1350573910 /nfs/dbraw/zinc/57/39/10/1350573910.db2.gz QSCWKZRJULWYDQ-AWEZNQCLSA-N -1 3 326.404 2.056 20 30 EEEDHM C#CCC(CC#C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1Cl ZINC001602697790 1350575223 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ZINC001609493217 1351997552 /nfs/dbraw/zinc/99/75/52/1351997552.db2.gz DEBPWFYDTODULG-HNAYVOBHSA-N -1 3 348.410 2.444 20 30 EEEDHM N#Cc1ccc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC001609499083 1351999705 /nfs/dbraw/zinc/99/97/05/1351999705.db2.gz NQSNEORIBKTJGU-UHFFFAOYSA-N -1 3 336.330 2.449 20 30 EEEDHM N#Cc1ccc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001609499083 1351999707 /nfs/dbraw/zinc/99/97/07/1351999707.db2.gz NQSNEORIBKTJGU-UHFFFAOYSA-N -1 3 336.330 2.449 20 30 EEEDHM O=C1C(=Cc2nc(-c3nnn[n-]3)cs2)CCc2cc(O)ccc21 ZINC001609585799 1352027976 /nfs/dbraw/zinc/02/79/76/1352027976.db2.gz FVIPMFPTXNBDDS-RMKNXTFCSA-N -1 3 325.353 2.241 20 30 EEEDHM C=CC[C@@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C(=O)[O-] ZINC001334183409 1336218618 /nfs/dbraw/zinc/21/86/18/1336218618.db2.gz XIAQAEOZMWOJER-CVEARBPZSA-N -1 3 331.416 2.152 20 30 EEEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H](CF)C1 ZINC001339854786 1337085448 /nfs/dbraw/zinc/08/54/48/1337085448.db2.gz LYTIYJXOYCYNBE-GFCCVEGCSA-N -1 3 332.383 2.121 20 30 EEEDHM C[C@@]1(C(=O)[O-])CCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC001610394331 1352215625 /nfs/dbraw/zinc/21/56/25/1352215625.db2.gz WGCCHFDNPNRUKP-DIFFPNOSSA-N -1 3 343.408 2.412 20 30 EEEDHM CN(CCc1cccc(-c2nnn[n-]2)c1)C(=O)c1cscc1C#N ZINC001579236297 1344356388 /nfs/dbraw/zinc/35/63/88/1344356388.db2.gz RCLOSEBDFDYMMO-UHFFFAOYSA-N -1 3 338.396 2.115 20 30 EEEDHM CN(CCc1cccc(-c2nn[n-]n2)c1)C(=O)c1cscc1C#N ZINC001579236297 1344356392 /nfs/dbraw/zinc/35/63/92/1344356392.db2.gz RCLOSEBDFDYMMO-UHFFFAOYSA-N -1 3 338.396 2.115 20 30 EEEDHM Cc1ccc(CNC(=O)NCc2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC001581197107 1344596580 /nfs/dbraw/zinc/59/65/80/1344596580.db2.gz NYGVZYWOHXNKRB-UHFFFAOYSA-N -1 3 347.382 2.046 20 30 EEEDHM Cc1ccc(CNC(=O)NCc2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC001581197107 1344596583 /nfs/dbraw/zinc/59/65/83/1344596583.db2.gz NYGVZYWOHXNKRB-UHFFFAOYSA-N -1 3 347.382 2.046 20 30 EEEDHM N#Cc1ccc(F)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC001581871251 1344682949 /nfs/dbraw/zinc/68/29/49/1344682949.db2.gz NEMPJESGRHMRCH-UHFFFAOYSA-N -1 3 326.266 2.269 20 30 EEEDHM N#Cc1ccc(F)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC001581871251 1344682954 /nfs/dbraw/zinc/68/29/54/1344682954.db2.gz NEMPJESGRHMRCH-UHFFFAOYSA-N -1 3 326.266 2.269 20 30 EEEDHM N#Cc1ccc(CNC(=O)Nc2sccc2-c2nnn[n-]2)s1 ZINC001581870064 1344683105 /nfs/dbraw/zinc/68/31/05/1344683105.db2.gz SSWDCXXZNZPYPZ-UHFFFAOYSA-N -1 3 331.386 2.183 20 30 EEEDHM N#Cc1ccc(CNC(=O)Nc2sccc2-c2nn[n-]n2)s1 ZINC001581870064 1344683110 /nfs/dbraw/zinc/68/31/10/1344683110.db2.gz SSWDCXXZNZPYPZ-UHFFFAOYSA-N -1 3 331.386 2.183 20 30 EEEDHM C#C[C@@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588329344 1348887900 /nfs/dbraw/zinc/88/79/00/1348887900.db2.gz DUNSCIMWSKLXEY-MRXNPFEDSA-N -1 3 332.367 2.040 20 30 EEEDHM C#C[C@@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588329344 1348887902 /nfs/dbraw/zinc/88/79/02/1348887902.db2.gz DUNSCIMWSKLXEY-MRXNPFEDSA-N -1 3 332.367 2.040 20 30 EEEDHM C#CC[C@@H]1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OCC)C1 ZINC001588336720 1348892974 /nfs/dbraw/zinc/89/29/74/1348892974.db2.gz DYWLEKODQRHGOR-GFCCVEGCSA-N -1 3 340.387 2.143 20 30 EEEDHM C#CC[C@@H]1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OCC)C1 ZINC001588336720 1348892976 /nfs/dbraw/zinc/89/29/76/1348892976.db2.gz DYWLEKODQRHGOR-GFCCVEGCSA-N -1 3 340.387 2.143 20 30 EEEDHM C#CCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC001588362085 1348895022 /nfs/dbraw/zinc/89/50/22/1348895022.db2.gz SYTMKPSCDNLHGL-UHFFFAOYSA-N -1 3 349.350 2.140 20 30 EEEDHM C#CCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC001588362085 1348895024 /nfs/dbraw/zinc/89/50/24/1348895024.db2.gz SYTMKPSCDNLHGL-UHFFFAOYSA-N -1 3 349.350 2.140 20 30 EEEDHM C#Cc1ccc(CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588373808 1348896930 /nfs/dbraw/zinc/89/69/30/1348896930.db2.gz SXNDNJMZNNDRSI-UHFFFAOYSA-N -1 3 349.419 2.257 20 30 EEEDHM C#Cc1ccc(CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588373808 1348896932 /nfs/dbraw/zinc/89/69/32/1348896932.db2.gz SXNDNJMZNNDRSI-UHFFFAOYSA-N -1 3 349.419 2.257 20 30 EEEDHM C=C(C)CN(C)C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588425402 1348904391 /nfs/dbraw/zinc/90/43/91/1348904391.db2.gz DCNRXQXSBLCXMP-OAHLLOKOSA-N -1 3 326.404 2.462 20 30 EEEDHM C=C(C)CN(C)C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588425402 1348904393 /nfs/dbraw/zinc/90/43/93/1348904393.db2.gz DCNRXQXSBLCXMP-OAHLLOKOSA-N -1 3 326.404 2.462 20 30 EEEDHM C=C(CO)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588444233 1348906362 /nfs/dbraw/zinc/90/63/62/1348906362.db2.gz RWPRECSWKUDTEZ-UHFFFAOYSA-N -1 3 337.339 2.146 20 30 EEEDHM C=C(CO)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588444233 1348906366 /nfs/dbraw/zinc/90/63/66/1348906366.db2.gz RWPRECSWKUDTEZ-UHFFFAOYSA-N -1 3 337.339 2.146 20 30 EEEDHM C=C[C@@](C)(O)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC001588499859 1348910695 /nfs/dbraw/zinc/91/06/95/1348910695.db2.gz NWHPIFMAJRVCNO-GOSISDBHSA-N -1 3 343.431 2.178 20 30 EEEDHM C=C[C@@](C)(O)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC001588499859 1348910706 /nfs/dbraw/zinc/91/07/06/1348910706.db2.gz NWHPIFMAJRVCNO-GOSISDBHSA-N -1 3 343.431 2.178 20 30 EEEDHM C=CCC(C)(C)CNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001588539713 1348914823 /nfs/dbraw/zinc/91/48/23/1348914823.db2.gz WBGNCUHZOPLVDD-UHFFFAOYSA-N -1 3 344.419 2.147 20 30 EEEDHM C=CCC1(C(=O)Nc2cnc(OC)c(-c3nnn[n-]3)c2)CCCC1 ZINC001588556349 1348915838 /nfs/dbraw/zinc/91/58/38/1348915838.db2.gz JUFSHSMCIUJUNW-UHFFFAOYSA-N -1 3 328.376 2.345 20 30 EEEDHM C=CCCC(=O)COc1nc2c(cc1-c1nnn[n-]1)CCCCC2 ZINC001588563763 1348917848 /nfs/dbraw/zinc/91/78/48/1348917848.db2.gz ARRFSEAAJLXTQT-UHFFFAOYSA-N -1 3 327.388 2.445 20 30 EEEDHM C=CCCC(=O)COc1nc2c(cc1-c1nn[n-]n1)CCCCC2 ZINC001588563763 1348917850 /nfs/dbraw/zinc/91/78/50/1348917850.db2.gz ARRFSEAAJLXTQT-UHFFFAOYSA-N -1 3 327.388 2.445 20 30 EEEDHM C=CCCC(C)(C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588577014 1348919939 /nfs/dbraw/zinc/91/99/39/1348919939.db2.gz AGXICIRQQCVXJM-UHFFFAOYSA-N -1 3 339.396 2.029 20 30 EEEDHM C=CCCO[C@@H](C)C(=O)Nc1c(-c2nnn[n-]2)c(C)c2ccccn21 ZINC001588610555 1348923652 /nfs/dbraw/zinc/92/36/52/1348923652.db2.gz HMZUBAODGJUREZ-LBPRGKRZSA-N -1 3 340.387 2.348 20 30 EEEDHM C=CCCO[C@@H](C)C(=O)Nc1c(-c2nn[n-]n2)c(C)c2ccccn21 ZINC001588610555 1348923654 /nfs/dbraw/zinc/92/36/54/1348923654.db2.gz HMZUBAODGJUREZ-LBPRGKRZSA-N -1 3 340.387 2.348 20 30 EEEDHM C=CCOc1cccnc1C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588688704 1348928775 /nfs/dbraw/zinc/92/87/75/1348928775.db2.gz OCTDCVQDGZSIOA-UHFFFAOYSA-N -1 3 340.318 2.218 20 30 EEEDHM C=CCOc1cccnc1C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588688704 1348928780 /nfs/dbraw/zinc/92/87/80/1348928780.db2.gz OCTDCVQDGZSIOA-UHFFFAOYSA-N -1 3 340.318 2.218 20 30 EEEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(-n2cnnc2)c1 ZINC001588780525 1348934945 /nfs/dbraw/zinc/93/49/45/1348934945.db2.gz CZQITEUHNPNICJ-UHFFFAOYSA-N -1 3 345.370 2.284 20 30 EEEDHM CC(C)(C(=O)O[C@H](CC#N)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589059569 1348955492 /nfs/dbraw/zinc/95/54/92/1348955492.db2.gz YQLMYNWENDARHJ-CQSZACIVSA-N -1 3 325.372 2.380 20 30 EEEDHM CC(C)(C(=O)O[C@H](CC#N)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589059569 1348955496 /nfs/dbraw/zinc/95/54/96/1348955496.db2.gz YQLMYNWENDARHJ-CQSZACIVSA-N -1 3 325.372 2.380 20 30 EEEDHM CC(C)(NC(=O)c1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001589318959 1348983270 /nfs/dbraw/zinc/98/32/70/1348983270.db2.gz DUKDXLWAWBKODR-UHFFFAOYSA-N -1 3 332.367 2.403 20 30 EEEDHM CC(C)(NC(=O)c1cccc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001589318959 1348983275 /nfs/dbraw/zinc/98/32/75/1348983275.db2.gz DUKDXLWAWBKODR-UHFFFAOYSA-N -1 3 332.367 2.403 20 30 EEEDHM CC(C)C#CC(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001589394164 1348988778 /nfs/dbraw/zinc/98/87/78/1348988778.db2.gz SUPZEFKOPIACKL-UHFFFAOYSA-N -1 3 339.277 2.363 20 30 EEEDHM CC(C)C#CC(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001589394164 1348988782 /nfs/dbraw/zinc/98/87/82/1348988782.db2.gz SUPZEFKOPIACKL-UHFFFAOYSA-N -1 3 339.277 2.363 20 30 EEEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC[C@H](O)CC(C)(C)C#N ZINC001589754355 1349030087 /nfs/dbraw/zinc/03/00/87/1349030087.db2.gz KVGXPWHRCWMDHN-CYBMUJFWSA-N -1 3 344.419 2.367 20 30 EEEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC[C@H](O)CC(C)(C)C#N ZINC001589754355 1349030090 /nfs/dbraw/zinc/03/00/90/1349030090.db2.gz KVGXPWHRCWMDHN-CYBMUJFWSA-N -1 3 344.419 2.367 20 30 EEEDHM C[C@@H](NC(=O)NCC1(C#N)CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC001589933487 1349068040 /nfs/dbraw/zinc/06/80/40/1349068040.db2.gz KMIGVVFTCNQSIS-GFCCVEGCSA-N -1 3 339.403 2.311 20 30 EEEDHM C[C@@H](NC(=O)NCC1(C#N)CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC001589933487 1349068054 /nfs/dbraw/zinc/06/80/54/1349068054.db2.gz KMIGVVFTCNQSIS-GFCCVEGCSA-N -1 3 339.403 2.311 20 30 EEEDHM C[C@]1(C#N)CCCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001590055715 1349135889 /nfs/dbraw/zinc/13/58/89/1349135889.db2.gz WOLNNBKSXXBLOR-OAHLLOKOSA-N -1 3 329.339 2.163 20 30 EEEDHM C[C@]1(C#N)CCCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001590055715 1349135891 /nfs/dbraw/zinc/13/58/91/1349135891.db2.gz WOLNNBKSXXBLOR-OAHLLOKOSA-N -1 3 329.339 2.163 20 30 EEEDHM CC[C@H](C#N)N(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001590368022 1349287239 /nfs/dbraw/zinc/28/72/39/1349287239.db2.gz RPQHAVKUUODJKF-CQSZACIVSA-N -1 3 342.403 2.176 20 30 EEEDHM CC[C@H](C#N)N(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001590368022 1349287244 /nfs/dbraw/zinc/28/72/44/1349287244.db2.gz RPQHAVKUUODJKF-CQSZACIVSA-N -1 3 342.403 2.176 20 30 EEEDHM CCN(C[C@@H](C)C#N)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001590682795 1349387448 /nfs/dbraw/zinc/38/74/48/1349387448.db2.gz PPZNTKUZSZMMRP-LBPRGKRZSA-N -1 3 344.444 2.108 20 30 EEEDHM CCN(C[C@@H](C)C#N)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001590682795 1349387454 /nfs/dbraw/zinc/38/74/54/1349387454.db2.gz PPZNTKUZSZMMRP-LBPRGKRZSA-N -1 3 344.444 2.108 20 30 EEEDHM COC(=O)c1coc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)c1 ZINC001591307572 1349459712 /nfs/dbraw/zinc/45/97/12/1349459712.db2.gz MCQQCNGTWJTQCY-WZUFQYTHSA-N -1 3 336.307 2.069 20 30 EEEDHM COC(=O)c1coc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)c1 ZINC001591307572 1349459718 /nfs/dbraw/zinc/45/97/18/1349459718.db2.gz MCQQCNGTWJTQCY-WZUFQYTHSA-N -1 3 336.307 2.069 20 30 EEEDHM COc1cc(C=NN[C@@H]2CC(C)(C)OC2(C)C)ccc1-c1nnn[n-]1 ZINC001591522096 1349497138 /nfs/dbraw/zinc/49/71/38/1349497138.db2.gz AETFJCINWIOHOX-CQSZACIVSA-N -1 3 344.419 2.145 20 30 EEEDHM COc1cc(C=NN[C@@H]2CC(C)(C)OC2(C)C)ccc1-c1nn[n-]n1 ZINC001591522096 1349497145 /nfs/dbraw/zinc/49/71/45/1349497145.db2.gz AETFJCINWIOHOX-CQSZACIVSA-N -1 3 344.419 2.145 20 30 EEEDHM Cc1cc([C@](C)(O)CNc2c(C#N)cccc2-c2nnn[n-]2)c(C)o1 ZINC001591940046 1349564460 /nfs/dbraw/zinc/56/44/60/1349564460.db2.gz JJVNGBQXCXCZTC-QGZVFWFLSA-N -1 3 338.371 2.268 20 30 EEEDHM Cc1cc([C@](C)(O)CNc2c(C#N)cccc2-c2nn[n-]n2)c(C)o1 ZINC001591940046 1349564468 /nfs/dbraw/zinc/56/44/68/1349564468.db2.gz JJVNGBQXCXCZTC-QGZVFWFLSA-N -1 3 338.371 2.268 20 30 EEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CCCc1c(F)cccc1F ZINC001592340918 1349623030 /nfs/dbraw/zinc/62/30/30/1349623030.db2.gz LSGQPZJJYQMSQE-UHFFFAOYSA-N -1 3 329.314 2.154 20 30 EEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CCCc1c(F)cccc1F ZINC001592340918 1349623031 /nfs/dbraw/zinc/62/30/31/1349623031.db2.gz LSGQPZJJYQMSQE-UHFFFAOYSA-N -1 3 329.314 2.154 20 30 EEEDHM N#Cc1ccc([N+](=O)[O-])c(N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC001592697690 1349707434 /nfs/dbraw/zinc/70/74/34/1349707434.db2.gz NMVOGDWNTZEQTR-UHFFFAOYSA-N -1 3 333.311 2.341 20 30 EEEDHM N#Cc1ccc([N+](=O)[O-])c(N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC001592697690 1349707439 /nfs/dbraw/zinc/70/74/39/1349707439.db2.gz NMVOGDWNTZEQTR-UHFFFAOYSA-N -1 3 333.311 2.341 20 30 EEEDHM N#Cc1ccc2c(c1)N(CCOc1cccc(-c3nnn[n-]3)c1)CC2 ZINC001592698346 1349707651 /nfs/dbraw/zinc/70/76/51/1349707651.db2.gz XTNSSEPWHRZBBD-UHFFFAOYSA-N -1 3 332.367 2.180 20 30 EEEDHM N#Cc1ccc2c(c1)N(CCOc1cccc(-c3nn[n-]n3)c1)CC2 ZINC001592698346 1349707657 /nfs/dbraw/zinc/70/76/57/1349707657.db2.gz XTNSSEPWHRZBBD-UHFFFAOYSA-N -1 3 332.367 2.180 20 30 EEEDHM N#Cc1cccc([C@H](OC(=O)C2CCN(C3CC3)CC2)C(=O)[O-])c1 ZINC001601117770 1350213706 /nfs/dbraw/zinc/21/37/06/1350213706.db2.gz DKWCGNCTWZRWTD-INIZCTEOSA-N -1 3 328.368 2.102 20 30 EEEDHM C#C[C@H](CC)Nc1c(-c2nnn[n-]2)cnc2c(OC)cc(OC)cc21 ZINC001602687793 1350572848 /nfs/dbraw/zinc/57/28/48/1350572848.db2.gz DXDJLBQEULSULX-SNVBAGLBSA-N -1 3 338.371 2.256 20 30 EEEDHM C#C[C@H](CC)Nc1c(-c2nn[n-]n2)cnc2c(OC)cc(OC)cc21 ZINC001602687793 1350572852 /nfs/dbraw/zinc/57/28/52/1350572852.db2.gz DXDJLBQEULSULX-SNVBAGLBSA-N -1 3 338.371 2.256 20 30 EEEDHM C#CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)C1 ZINC001602699943 1350575508 /nfs/dbraw/zinc/57/55/08/1350575508.db2.gz NWCZUFIMZSQJAM-XOKHGSTOSA-N -1 3 335.411 2.232 20 30 EEEDHM C#CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)C1 ZINC001602699943 1350575514 /nfs/dbraw/zinc/57/55/14/1350575514.db2.gz NWCZUFIMZSQJAM-XOKHGSTOSA-N -1 3 335.411 2.232 20 30 EEEDHM C#Cc1ccc(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)nc1 ZINC001602741601 1350578980 /nfs/dbraw/zinc/57/89/80/1350578980.db2.gz QDKJWAVVIQIMAK-UHFFFAOYSA-N -1 3 346.394 2.291 20 30 EEEDHM C=C[C@](C)(CC)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001602795956 1350587741 /nfs/dbraw/zinc/58/77/41/1350587741.db2.gz XOGKBXFWNOMWSJ-OAHLLOKOSA-N -1 3 331.332 2.420 20 30 EEEDHM C=C[C@](C)(CC)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001602795956 1350587744 /nfs/dbraw/zinc/58/77/44/1350587744.db2.gz XOGKBXFWNOMWSJ-OAHLLOKOSA-N -1 3 331.332 2.420 20 30 EEEDHM C=CC[C@H]1CCN(C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001602823102 1350591850 /nfs/dbraw/zinc/59/18/50/1350591850.db2.gz JMIHBANWNRDMRY-OLZOCXBDSA-N -1 3 327.388 2.059 20 30 EEEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001602825148 1350592206 /nfs/dbraw/zinc/59/22/06/1350592206.db2.gz VGYDDAUIEFIOQO-CZUORRHYSA-N -1 3 341.415 2.497 20 30 EEEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)COc1cccc(-c2nn[n-]n2)c1 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EEEDHM C=C(C)Cn1c(CCc2nn[n-]n2)nnc1N1CCC[C@@H](CC)CC1 ZINC001524309064 1120052681 /nfs/dbraw/zinc/05/26/81/1120052681.db2.gz RCLSROYAYSWLSK-CQSZACIVSA-N -1 3 344.467 2.169 20 30 EEEDHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1ccc(F)cc1C#N ZINC000077565786 201182588 /nfs/dbraw/zinc/18/25/88/201182588.db2.gz IWEBWNHDQIPVNT-UHFFFAOYSA-N -1 3 333.344 2.168 20 30 EEEDHM N#C[C@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccc(Cl)cc1 ZINC000426994496 241361456 /nfs/dbraw/zinc/36/14/56/241361456.db2.gz HLUVEKFTZBAMRQ-HNNXBMFYSA-N -1 3 343.770 2.156 20 30 EEEDHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000451645708 243187563 /nfs/dbraw/zinc/18/75/63/243187563.db2.gz FSQFEQYYQCQMBU-QMMMGPOBSA-N -1 3 342.364 2.256 20 30 EEEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(O)CCCCC2)c(Cl)c1 ZINC000227302121 205183081 /nfs/dbraw/zinc/18/30/81/205183081.db2.gz WBHCQZLPCABTTB-UHFFFAOYSA-N -1 3 328.821 2.185 20 30 EEEDHM C#CCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000158966211 205376580 /nfs/dbraw/zinc/37/65/80/205376580.db2.gz 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N#CCCC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccccc1 ZINC001609494735 1351998767 /nfs/dbraw/zinc/99/87/67/1351998767.db2.gz MFWPWMIVVTZDEZ-ZDUSSCGKSA-N -1 3 335.371 2.360 20 30 EEEDHM N#CCCC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccccc1 ZINC001609494735 1351998770 /nfs/dbraw/zinc/99/87/70/1351998770.db2.gz MFWPWMIVVTZDEZ-ZDUSSCGKSA-N -1 3 335.371 2.360 20 30 EEEDHM O=C(Nc1ccc2c(c1)C(=O)CCCC2)N[C@H]1CCCN([O-])C1=O ZINC001336832377 1336601803 /nfs/dbraw/zinc/60/18/03/1336601803.db2.gz GSHBKIRTBKIRMR-AWEZNQCLSA-N -1 3 331.372 2.097 20 30 EEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001338883080 1336926078 /nfs/dbraw/zinc/92/60/78/1336926078.db2.gz BCLACNABDAGAGL-ZDUSSCGKSA-N -1 3 345.403 2.078 20 30 EEEDHM C#C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)C(C)(C)C ZINC001338997969 1336942468 /nfs/dbraw/zinc/94/24/68/1336942468.db2.gz LPAFJSWOHIOTSN-ZDUSSCGKSA-N -1 3 342.848 2.489 20 30 EEEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(C)(F)CC1 ZINC001339068543 1336953365 /nfs/dbraw/zinc/95/33/65/1336953365.db2.gz JGBYELLWEMIARO-UHFFFAOYSA-N -1 3 332.383 2.264 20 30 EEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H](c2ccco2)C1 ZINC001339658155 1337046656 /nfs/dbraw/zinc/04/66/56/1337046656.db2.gz RDJIMZZRGAYEBR-NSHDSACASA-N -1 3 327.344 2.412 20 30 EEEDHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)ccc1F)c1ccc(C#N)cc1 ZINC001575320192 1343776073 /nfs/dbraw/zinc/77/60/73/1343776073.db2.gz RJTBTFJQTGMXJW-SNVBAGLBSA-N -1 3 336.330 2.368 20 30 EEEDHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)ccc1F)c1ccc(C#N)cc1 ZINC001575320192 1343776083 /nfs/dbraw/zinc/77/60/83/1343776083.db2.gz RJTBTFJQTGMXJW-SNVBAGLBSA-N -1 3 336.330 2.368 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)Nc1cccc(CC#N)n1 ZINC001580612444 1344543475 /nfs/dbraw/zinc/54/34/75/1344543475.db2.gz PBRAFJPCDRNWOH-UHFFFAOYSA-N -1 3 333.355 2.197 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)Nc1cccc(CC#N)n1 ZINC001580612444 1344543479 /nfs/dbraw/zinc/54/34/79/1344543479.db2.gz PBRAFJPCDRNWOH-UHFFFAOYSA-N -1 3 333.355 2.197 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)CCc1cccc(C#N)c1 ZINC001580619633 1344544333 /nfs/dbraw/zinc/54/43/33/1344544333.db2.gz DJGWLSUVIWGSBY-UHFFFAOYSA-N -1 3 346.394 2.362 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)CCc1cccc(C#N)c1 ZINC001580619633 1344544334 /nfs/dbraw/zinc/54/43/34/1344544334.db2.gz DJGWLSUVIWGSBY-UHFFFAOYSA-N -1 3 346.394 2.362 20 30 EEEDHM C#C[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC001588328205 1348888117 /nfs/dbraw/zinc/88/81/17/1348888117.db2.gz AUWBXHYNPZSZLT-CYBMUJFWSA-N -1 3 337.343 2.393 20 30 EEEDHM C#C[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC001588328205 1348888123 /nfs/dbraw/zinc/88/81/23/1348888123.db2.gz AUWBXHYNPZSZLT-CYBMUJFWSA-N -1 3 337.343 2.393 20 30 EEEDHM C#CC[C@H](COC)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001588334486 1348890586 /nfs/dbraw/zinc/89/05/86/1348890586.db2.gz YMFPHNHPYNMADN-SNVBAGLBSA-N -1 3 336.193 2.079 20 30 EEEDHM C#CC[C@H](COC)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001588334486 1348890591 /nfs/dbraw/zinc/89/05/91/1348890591.db2.gz YMFPHNHPYNMADN-SNVBAGLBSA-N -1 3 336.193 2.079 20 30 EEEDHM C#CCOCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)C(C)(C)CC2 ZINC001588362532 1348894945 /nfs/dbraw/zinc/89/49/45/1348894945.db2.gz JAIZGJOSMLPVML-UHFFFAOYSA-N -1 3 345.428 2.130 20 30 EEEDHM C#CCOCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)C(C)(C)CC2 ZINC001588362532 1348894951 /nfs/dbraw/zinc/89/49/51/1348894951.db2.gz JAIZGJOSMLPVML-UHFFFAOYSA-N -1 3 345.428 2.130 20 30 EEEDHM C#Cc1cncc(C(=O)Nc2c(-c3nnn[n-]3)c(C)c3ccccn32)c1 ZINC001588379620 1348898190 /nfs/dbraw/zinc/89/81/90/1348898190.db2.gz JXSRCFVBXYWBDP-UHFFFAOYSA-N -1 3 343.350 2.056 20 30 EEEDHM C#Cc1cncc(C(=O)Nc2c(-c3nn[n-]n3)c(C)c3ccccn32)c1 ZINC001588379620 1348898193 /nfs/dbraw/zinc/89/81/93/1348898193.db2.gz JXSRCFVBXYWBDP-UHFFFAOYSA-N -1 3 343.350 2.056 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNc1nnc(CC)c(CC)c1-c1nnn[n-]1 ZINC001588400836 1348900499 /nfs/dbraw/zinc/90/04/99/1348900499.db2.gz HJEJBFFPQTTZMD-XHDPSFHLSA-N -1 3 343.435 2.175 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNc1nnc(CC)c(CC)c1-c1nn[n-]n1 ZINC001588400836 1348900501 /nfs/dbraw/zinc/90/05/01/1348900501.db2.gz HJEJBFFPQTTZMD-XHDPSFHLSA-N -1 3 343.435 2.175 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001588400792 1348900511 /nfs/dbraw/zinc/90/05/11/1348900511.db2.gz GFNBOENHASNNAY-IINYFYTJSA-N -1 3 330.348 2.168 20 30 EEEDHM C=C(C)C(C)(C)C(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001588395388 1348900558 /nfs/dbraw/zinc/90/05/58/1348900558.db2.gz HOLPLUVKYPZNJK-LBPRGKRZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C(C)C(C)(C)C(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001588395388 1348900561 /nfs/dbraw/zinc/90/05/61/1348900561.db2.gz HOLPLUVKYPZNJK-LBPRGKRZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C(CC)CNC(=O)NCc1ccc(SC)c(-c2nnn[n-]2)c1 ZINC001588441286 1348904774 /nfs/dbraw/zinc/90/47/74/1348904774.db2.gz CEHHYLPZIJFJQT-UHFFFAOYSA-N -1 3 332.433 2.354 20 30 EEEDHM C=C(CC)CNC(=O)NCc1ccc(SC)c(-c2nn[n-]n2)c1 ZINC001588441286 1348904778 /nfs/dbraw/zinc/90/47/78/1348904778.db2.gz CEHHYLPZIJFJQT-UHFFFAOYSA-N -1 3 332.433 2.354 20 30 EEEDHM C=CC(C)(C)C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC001588480942 1348908000 /nfs/dbraw/zinc/90/80/00/1348908000.db2.gz GBZZDOBHJQBHBL-UHFFFAOYSA-N -1 3 349.778 2.214 20 30 EEEDHM C=CC(C)(C)C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC001588480942 1348908002 /nfs/dbraw/zinc/90/80/02/1348908002.db2.gz GBZZDOBHJQBHBL-UHFFFAOYSA-N -1 3 349.778 2.214 20 30 EEEDHM C=CC(C)(C)CCCNS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588487016 1348909126 /nfs/dbraw/zinc/90/91/26/1348909126.db2.gz NPUZPUNWGGHOOO-UHFFFAOYSA-N -1 3 349.460 2.279 20 30 EEEDHM C=CC(C)(C)CCCNS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588487016 1348909130 /nfs/dbraw/zinc/90/91/30/1348909130.db2.gz NPUZPUNWGGHOOO-UHFFFAOYSA-N -1 3 349.460 2.279 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588518728 1348911616 /nfs/dbraw/zinc/91/16/16/1348911616.db2.gz JZSXXSZIFVYABJ-OLZOCXBDSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588518728 1348911620 /nfs/dbraw/zinc/91/16/20/1348911620.db2.gz JZSXXSZIFVYABJ-OLZOCXBDSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@@H](CC)CC(=O)NCC[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001588524343 1348912543 /nfs/dbraw/zinc/91/25/43/1348912543.db2.gz QIAJTFNQUVTDPB-OLZOCXBDSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@@H](CC)CC(=O)NCC[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001588524343 1348912544 /nfs/dbraw/zinc/91/25/44/1348912544.db2.gz QIAJTFNQUVTDPB-OLZOCXBDSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCCCC(=O)NCC[C@@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588590561 1348922031 /nfs/dbraw/zinc/92/20/31/1348922031.db2.gz ROFCDXZFABNDIY-SNVBAGLBSA-N -1 3 349.464 2.295 20 30 EEEDHM C=CCCCC(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588588406 1348922135 /nfs/dbraw/zinc/92/21/35/1348922135.db2.gz MUEVGNRAQXKWHK-AWEZNQCLSA-N -1 3 341.419 2.021 20 30 EEEDHM C=CCCCC(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588588406 1348922137 /nfs/dbraw/zinc/92/21/37/1348922137.db2.gz MUEVGNRAQXKWHK-AWEZNQCLSA-N -1 3 341.419 2.021 20 30 EEEDHM C[C@@H](ON=Cc1cccs1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001590020632 1349110846 /nfs/dbraw/zinc/11/08/46/1349110846.db2.gz NTLTVBYVHXUEEZ-SNVBAGLBSA-N -1 3 342.384 2.306 20 30 EEEDHM C[C@@H](ON=Cc1cccs1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001590020632 1349110851 /nfs/dbraw/zinc/11/08/51/1349110851.db2.gz NTLTVBYVHXUEEZ-SNVBAGLBSA-N -1 3 342.384 2.306 20 30 EEEDHM CCC#C[C@@H](C)Sc1nc(C(=O)OCC)ccc1-c1nnn[n-]1 ZINC001590355686 1349281749 /nfs/dbraw/zinc/28/17/49/1349281749.db2.gz UAJKTSQXCNNVSW-SNVBAGLBSA-N -1 3 331.401 2.332 20 30 EEEDHM CCC#C[C@@H](C)Sc1nc(C(=O)OCC)ccc1-c1nn[n-]n1 ZINC001590355686 1349281755 /nfs/dbraw/zinc/28/17/55/1349281755.db2.gz UAJKTSQXCNNVSW-SNVBAGLBSA-N -1 3 331.401 2.332 20 30 EEEDHM CC[C@@]1(C)CCN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590490423 1349353988 /nfs/dbraw/zinc/35/39/88/1349353988.db2.gz YAYOKRKVYHGQCI-YJBOKZPZSA-N -1 3 338.415 2.198 20 30 EEEDHM CCCNC(=S)NN=C1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001590637842 1349381450 /nfs/dbraw/zinc/38/14/50/1349381450.db2.gz GFURYBHHRNRNGL-UHFFFAOYSA-N -1 3 343.460 2.171 20 30 EEEDHM CCCNC(=S)NN=C1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001590637842 1349381455 /nfs/dbraw/zinc/38/14/55/1349381455.db2.gz GFURYBHHRNRNGL-UHFFFAOYSA-N -1 3 343.460 2.171 20 30 EEEDHM CNc1ccc(C#N)cc1NC(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001591225680 1349451214 /nfs/dbraw/zinc/45/12/14/1349451214.db2.gz YHMUSDNUEQFIPG-UHFFFAOYSA-N -1 3 333.355 2.341 20 30 EEEDHM CNc1ccc(C#N)cc1NC(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001591225680 1349451222 /nfs/dbraw/zinc/45/12/22/1349451222.db2.gz YHMUSDNUEQFIPG-UHFFFAOYSA-N -1 3 333.355 2.341 20 30 EEEDHM Cc1cc(C#N)nc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC001591906602 1349554663 /nfs/dbraw/zinc/55/46/63/1349554663.db2.gz RZUQUYASRARNPJ-UHFFFAOYSA-N -1 3 344.382 2.131 20 30 EEEDHM Cc1cc(C#N)nc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC001591906602 1349554669 /nfs/dbraw/zinc/55/46/69/1349554669.db2.gz RZUQUYASRARNPJ-UHFFFAOYSA-N -1 3 344.382 2.131 20 30 EEEDHM Cc1cc(CN=Nc2nc(-c3cccnc3)no2)ccc1-c1nnn[n-]1 ZINC001591958475 1349567592 /nfs/dbraw/zinc/56/75/92/1349567592.db2.gz FKBXPAOAEIQISP-UHFFFAOYSA-N -1 3 347.342 2.066 20 30 EEEDHM Cc1cc(CN=Nc2nc(-c3cccnc3)no2)ccc1-c1nn[n-]n1 ZINC001591958475 1349567601 /nfs/dbraw/zinc/56/76/01/1349567601.db2.gz FKBXPAOAEIQISP-UHFFFAOYSA-N -1 3 347.342 2.066 20 30 EEEDHM N#CC1(c2ccc(C(=O)Nc3cc(-c4nnn[n-]4)ccn3)cc2)CC1 ZINC001592671155 1349704450 /nfs/dbraw/zinc/70/44/50/1349704450.db2.gz GOROXNYYYRGTCB-UHFFFAOYSA-N -1 3 331.339 2.069 20 30 EEEDHM N#CC1(c2ccc(C(=O)Nc3cc(-c4nn[n-]n4)ccn3)cc2)CC1 ZINC001592671155 1349704452 /nfs/dbraw/zinc/70/44/52/1349704452.db2.gz GOROXNYYYRGTCB-UHFFFAOYSA-N -1 3 331.339 2.069 20 30 EEEDHM N#Cc1cc(NC(=O)CCCC2CCOCC2)ccc1-c1nnn[n-]1 ZINC001592689373 1349705181 /nfs/dbraw/zinc/70/51/81/1349705181.db2.gz YJVCYWSSCHOFBU-UHFFFAOYSA-N -1 3 340.387 2.274 20 30 EEEDHM N#Cc1cc(NC(=O)CCCC2CCOCC2)ccc1-c1nn[n-]n1 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20 30 EEEDHM C=CCCC(=O)NC1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001602826444 1350591986 /nfs/dbraw/zinc/59/19/86/1350591986.db2.gz HFMFEWVCHQJNIA-UHFFFAOYSA-N -1 3 344.394 2.057 20 30 EEEDHM C=CCCC(=O)NC1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001602826444 1350591990 /nfs/dbraw/zinc/59/19/90/1350591990.db2.gz HFMFEWVCHQJNIA-UHFFFAOYSA-N -1 3 344.394 2.057 20 30 EEEDHM C=CCCCC(=O)NC[C@@H](Nc1ncccc1-c1nnn[n-]1)C(C)C ZINC001602831844 1350592882 /nfs/dbraw/zinc/59/28/82/1350592882.db2.gz GLVZNQQMSHPVLR-CQSZACIVSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCCCC(=O)NC[C@@H](Nc1ncccc1-c1nn[n-]n1)C(C)C ZINC001602831844 1350592884 /nfs/dbraw/zinc/59/28/84/1350592884.db2.gz GLVZNQQMSHPVLR-CQSZACIVSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCCCC(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001602832340 1350593090 /nfs/dbraw/zinc/59/30/90/1350593090.db2.gz PCKAMCZJBQWVKI-AWEZNQCLSA-N -1 3 341.419 2.021 20 30 EEEDHM C=CCCCC(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001602832340 1350593096 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EEEDHM C[C@@H]1CC2(CC(N=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)C2)CO1 ZINC001603870478 1350788131 /nfs/dbraw/zinc/78/81/31/1350788131.db2.gz DOHZCVJGLNFCFT-ZSYIFEHUSA-N -1 3 333.783 2.272 20 30 EEEDHM C[C@@H]1CC2(CC(N=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)C2)CO1 ZINC001603870478 1350788133 /nfs/dbraw/zinc/78/81/33/1350788133.db2.gz DOHZCVJGLNFCFT-ZSYIFEHUSA-N -1 3 333.783 2.272 20 30 EEEDHM CCC(C#N)(CC)C(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1 ZINC001603978326 1350817649 /nfs/dbraw/zinc/81/76/49/1350817649.db2.gz XKUSHZSIXCIJPI-UHFFFAOYSA-N -1 3 326.404 2.198 20 30 EEEDHM CCC(C#N)(CC)C(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001603978326 1350817651 /nfs/dbraw/zinc/81/76/51/1350817651.db2.gz XKUSHZSIXCIJPI-UHFFFAOYSA-N -1 3 326.404 2.198 20 30 EEEDHM CC[C@@H](C)NN=C(C)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC001604007640 1350827949 /nfs/dbraw/zinc/82/79/49/1350827949.db2.gz QOJLWAZLEAAPBS-LLVKDONJSA-N -1 3 338.419 2.473 20 30 EEEDHM CO[C@@H]1CCC[C@H](CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1 ZINC001605030514 1351061529 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EEEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824737949 607787707 /nfs/dbraw/zinc/78/77/07/607787707.db2.gz LNWJFPGXBMLIRK-GFCCVEGCSA-N -1 3 348.366 2.169 20 30 EEEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824737949 607787708 /nfs/dbraw/zinc/78/77/08/607787708.db2.gz LNWJFPGXBMLIRK-GFCCVEGCSA-N -1 3 348.366 2.169 20 30 EEEDHM CCCCCNC(=S)NN=C(C)c1ccc(-c2nnn[n-]2)s1 ZINC000825275959 608094582 /nfs/dbraw/zinc/09/45/82/608094582.db2.gz JRQSRZPQJUFCNA-UHFFFAOYSA-N -1 3 337.478 2.307 20 30 EEEDHM N#Cc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)s1 ZINC000826384966 608452133 /nfs/dbraw/zinc/45/21/33/608452133.db2.gz RMVLMTULWMTGPF-UHFFFAOYSA-N -1 3 329.316 2.296 20 30 EEEDHM N#Cc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)s1 ZINC000826384966 608452135 /nfs/dbraw/zinc/45/21/35/608452135.db2.gz RMVLMTULWMTGPF-UHFFFAOYSA-N -1 3 329.316 2.296 20 30 EEEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(N)cc1 ZINC000823958363 608535544 /nfs/dbraw/zinc/53/55/44/608535544.db2.gz 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C=CCN(Cc1ccccc1F)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000823919714 609200420 /nfs/dbraw/zinc/20/04/20/609200420.db2.gz OCPMDFJFYUUSGS-UHFFFAOYSA-N -1 3 326.335 2.162 20 30 EEEDHM C[C@@H](NC(=O)Cc1ccccc1CC#N)c1cccc(-c2nnn[n-]2)c1 ZINC000824477988 609233469 /nfs/dbraw/zinc/23/34/69/609233469.db2.gz FBUUFSMHGDQZFV-CYBMUJFWSA-N -1 3 346.394 2.353 20 30 EEEDHM C[C@@H](NC(=O)Cc1ccccc1CC#N)c1cccc(-c2nn[n-]n2)c1 ZINC000824477988 609233470 /nfs/dbraw/zinc/23/34/70/609233470.db2.gz FBUUFSMHGDQZFV-CYBMUJFWSA-N -1 3 346.394 2.353 20 30 EEEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(C)(C)C#N ZINC000825317765 609412461 /nfs/dbraw/zinc/41/24/61/609412461.db2.gz AJIKLQASCFGKCK-UHFFFAOYSA-N -1 3 341.419 2.338 20 30 EEEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(C)(C)C#N ZINC000825317765 609412462 /nfs/dbraw/zinc/41/24/62/609412462.db2.gz AJIKLQASCFGKCK-UHFFFAOYSA-N -1 3 341.419 2.338 20 30 EEEDHM Oc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(O)c1O ZINC000826510685 609474793 /nfs/dbraw/zinc/47/47/93/609474793.db2.gz 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N#Cc1cc([O-])cc(C(=O)OC[C@@H]2CN(c3ccccc3)C(=O)O2)c1 ZINC000811184161 1199914999 /nfs/dbraw/zinc/91/49/99/1199914999.db2.gz IAGFSJBBSYOYBW-INIZCTEOSA-N -1 3 338.319 2.446 20 30 EEEDHM CC(C)Oc1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c(F)c1 ZINC000878504529 1200510256 /nfs/dbraw/zinc/51/02/56/1200510256.db2.gz LHAAUSAXGDGLDY-CYBMUJFWSA-N -1 3 325.340 2.115 20 30 EEEDHM C=CCC1(C(=O)NCCCN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001095728830 1208324292 /nfs/dbraw/zinc/32/42/92/1208324292.db2.gz XSRLBYAIZLRJJC-UHFFFAOYSA-N -1 3 348.403 2.384 20 30 EEEDHM C#CCCN1CCc2ccccc2[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000948910221 1209447826 /nfs/dbraw/zinc/44/78/26/1209447826.db2.gz METJXBCHKUROAC-KRWDZBQOSA-N -1 3 335.407 2.140 20 30 EEEDHM C=CCN1CCc2ccccc2[C@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC000948950636 1209469740 /nfs/dbraw/zinc/46/97/40/1209469740.db2.gz NABJHBDIPCDTNL-MRXNPFEDSA-N -1 3 338.411 2.006 20 30 EEEDHM Cc1cc(NCCC[C@@H](C)NC(=O)c2ccccc2[O-])c(C#N)cn1 ZINC001114841949 1215751621 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COc1cc(F)c(S(=O)(=O)[N-]C2(C#N)CCCCC2)cc1F ZINC000903615861 1241178478 /nfs/dbraw/zinc/17/84/78/1241178478.db2.gz QFVUNWAHSLDTAM-UHFFFAOYSA-N -1 3 330.356 2.478 20 30 EEEDHM N#Cc1ccc(N2C[C@@H]3CCC[C@]3(NC(=O)c3ccccc3[O-])C2)cn1 ZINC001055492138 1250312862 /nfs/dbraw/zinc/31/28/62/1250312862.db2.gz ZNUHYBSSTIZBDD-XOBRGWDASA-N -1 3 348.406 2.448 20 30 EEEDHM C[C@H]1[C@@H](NC(=O)c2ccccc2[O-])CCCN1c1ccc(C#N)nc1 ZINC001069334325 1252758899 /nfs/dbraw/zinc/75/88/99/1252758899.db2.gz LYNGPZMWNCMANY-GUYCJALGSA-N -1 3 336.395 2.446 20 30 EEEDHM CN(CC#N)C(=O)CCCCCCCNC(=O)c1ccccc1[O-] ZINC001185930725 1278871734 /nfs/dbraw/zinc/87/17/34/1278871734.db2.gz LKRAHKONUWLGQA-UHFFFAOYSA-N -1 3 331.416 2.445 20 30 EEEDHM CC(C)(C#N)c1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cn1 ZINC001186992009 1279351280 /nfs/dbraw/zinc/35/12/80/1279351280.db2.gz QAPKBBJTHYUPLU-UHFFFAOYSA-N -1 3 333.355 2.315 20 30 EEEDHM CC(C)(C#N)c1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cn1 ZINC001186992009 1279351289 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EEEDHM C=C(CC)COC(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588443998 1348906266 /nfs/dbraw/zinc/90/62/66/1348906266.db2.gz DWZJDKHLUKEASY-UHFFFAOYSA-N -1 3 327.266 2.404 20 30 EEEDHM C=CC(C)(C)C(=O)N[C@H](C)[C@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588476372 1348908456 /nfs/dbraw/zinc/90/84/56/1348908456.db2.gz VWEBUOKFJHVKJS-DTWKUNHWSA-N -1 3 349.464 2.149 20 30 EEEDHM C=C[C@](C)(CC)C(=O)N[C@H](C)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588497324 1348910172 /nfs/dbraw/zinc/91/01/72/1348910172.db2.gz ZOKCKAYKCRIUQN-SJKOYZFVSA-N -1 3 343.435 2.089 20 30 EEEDHM C=C[C@](C)(CC)C(=O)N[C@H](C)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588497324 1348910174 /nfs/dbraw/zinc/91/01/74/1348910174.db2.gz ZOKCKAYKCRIUQN-SJKOYZFVSA-N -1 3 343.435 2.089 20 30 EEEDHM C=C[C@](C)(CC)C(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001588493926 1348910590 /nfs/dbraw/zinc/91/05/90/1348910590.db2.gz MNEPESHEGRTYDW-MRXNPFEDSA-N -1 3 348.476 2.079 20 30 EEEDHM C=C[C@@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001588527279 1348913650 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/nfs/dbraw/zinc/92/29/04/1348922904.db2.gz RENKZNFUDZHPSC-UHFFFAOYSA-N -1 3 325.376 2.394 20 30 EEEDHM C=CCn1c(CCC)nnc1N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588703166 1348929900 /nfs/dbraw/zinc/92/99/00/1348929900.db2.gz KXZQQQAZAQSWQD-UHFFFAOYSA-N -1 3 336.403 2.117 20 30 EEEDHM C=CCn1c(CCC)nnc1N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588703166 1348929904 /nfs/dbraw/zinc/92/99/04/1348929904.db2.gz KXZQQQAZAQSWQD-UHFFFAOYSA-N -1 3 336.403 2.117 20 30 EEEDHM C=CCn1c(CC)nnc1N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588704351 1348930132 /nfs/dbraw/zinc/93/01/32/1348930132.db2.gz YPRXCXCFBKRBHB-GFCCVEGCSA-N -1 3 338.419 2.404 20 30 EEEDHM C=CCn1c(CC)nnc1N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588704351 1348930136 /nfs/dbraw/zinc/93/01/36/1348930136.db2.gz YPRXCXCFBKRBHB-GFCCVEGCSA-N -1 3 338.419 2.404 20 30 EEEDHM CC(=[NH+][N-]c1cccc(-c2nn[n-]n2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001588780526 1348935232 /nfs/dbraw/zinc/93/52/32/1348935232.db2.gz DDRHYRMGMJUBTH-UHFFFAOYSA-N -1 3 338.331 2.193 20 30 EEEDHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCCOc1ccc(C#N)cc1 ZINC001588910657 1348945933 /nfs/dbraw/zinc/94/59/33/1348945933.db2.gz ZPDLTLDJMRIABM-UHFFFAOYSA-N -1 3 348.366 2.432 20 30 EEEDHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NCCOc1ccc(C#N)cc1 ZINC001588910657 1348945934 /nfs/dbraw/zinc/94/59/34/1348945934.db2.gz ZPDLTLDJMRIABM-UHFFFAOYSA-N -1 3 348.366 2.432 20 30 EEEDHM C[C@@]1(C#N)CCN(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)C1 ZINC001590054045 1349133940 /nfs/dbraw/zinc/13/39/40/1349133940.db2.gz GXUJYHAONPBTQK-HNNXBMFYSA-N -1 3 334.330 2.204 20 30 EEEDHM C[C@@]1(C#N)CCN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)C1 ZINC001590054045 1349133948 /nfs/dbraw/zinc/13/39/48/1349133948.db2.gz GXUJYHAONPBTQK-HNNXBMFYSA-N -1 3 334.330 2.204 20 30 EEEDHM CC1(C#N)CCN(c2nc(Br)ccc2-c2nnn[n-]2)CC1 ZINC001590056417 1349135185 /nfs/dbraw/zinc/13/51/85/1349135185.db2.gz KHZUBSSZEPCYLY-UHFFFAOYSA-N -1 3 348.208 2.154 20 30 EEEDHM CC1(C#N)CCN(c2nc(Br)ccc2-c2nn[n-]n2)CC1 ZINC001590056417 1349135187 /nfs/dbraw/zinc/13/51/87/1349135187.db2.gz KHZUBSSZEPCYLY-UHFFFAOYSA-N -1 3 348.208 2.154 20 30 EEEDHM C[C@@H]1[C@H](C)CN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)[C@H]1C ZINC001590284910 1349246473 /nfs/dbraw/zinc/24/64/73/1349246473.db2.gz NTEVBOLVRIGCOL-FOCJUVANSA-N -1 3 338.415 2.052 20 30 EEEDHM CCC(N=Nc1ncccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001590358729 1349283191 /nfs/dbraw/zinc/28/31/91/1349283191.db2.gz FDJYBOLGKSJKET-UHFFFAOYSA-N -1 3 338.331 2.396 20 30 EEEDHM CCC(N=Nc1ncccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001590358729 1349283201 /nfs/dbraw/zinc/28/32/01/1349283201.db2.gz FDJYBOLGKSJKET-UHFFFAOYSA-N -1 3 338.331 2.396 20 30 EEEDHM CN(C)c1cc(C(=O)O[C@@H]2CCCC[C@H]2C#N)cc(-c2nnn[n-]2)c1 ZINC001591028965 1349431537 /nfs/dbraw/zinc/43/15/37/1349431537.db2.gz MPZDOJVSEPOOAP-XHDPSFHLSA-N -1 3 340.387 2.172 20 30 EEEDHM CN(C)c1cc(C(=O)O[C@@H]2CCCC[C@H]2C#N)cc(-c2nn[n-]n2)c1 ZINC001591028965 1349431542 /nfs/dbraw/zinc/43/15/42/1349431542.db2.gz MPZDOJVSEPOOAP-XHDPSFHLSA-N -1 3 340.387 2.172 20 30 EEEDHM COc1cc(OC(=O)c2sccc2CC#N)ccc1-c1nnn[n-]1 ZINC001591548864 1349505353 /nfs/dbraw/zinc/50/53/53/1349505353.db2.gz NVZPACPXIRQBMF-UHFFFAOYSA-N -1 3 341.352 2.222 20 30 EEEDHM COc1cc(OC(=O)c2sccc2CC#N)ccc1-c1nn[n-]n1 ZINC001591548864 1349505357 /nfs/dbraw/zinc/50/53/57/1349505357.db2.gz NVZPACPXIRQBMF-UHFFFAOYSA-N -1 3 341.352 2.222 20 30 EEEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CCOC23CCCC3)n1 ZINC001592525621 1349646422 /nfs/dbraw/zinc/64/64/22/1349646422.db2.gz ZWLNLDVMOMBMIM-UHFFFAOYSA-N -1 3 333.783 2.416 20 30 EEEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CCOC23CCCC3)n1 ZINC001592525621 1349646424 /nfs/dbraw/zinc/64/64/24/1349646424.db2.gz ZWLNLDVMOMBMIM-UHFFFAOYSA-N -1 3 333.783 2.416 20 30 EEEDHM N#CC1CCC(CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC001592671652 1349703784 /nfs/dbraw/zinc/70/37/84/1349703784.db2.gz TYJOVYIOYNSUNW-UHFFFAOYSA-N -1 3 346.341 2.205 20 30 EEEDHM N#CC1CCC(CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC001592671652 1349703786 /nfs/dbraw/zinc/70/37/86/1349703786.db2.gz TYJOVYIOYNSUNW-UHFFFAOYSA-N -1 3 346.341 2.205 20 30 EEEDHM N#Cc1ccc(OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(F)c1 ZINC001592696019 1349708078 /nfs/dbraw/zinc/70/80/78/1349708078.db2.gz YDKHJAZDAMREKF-UHFFFAOYSA-N -1 3 340.274 2.365 20 30 EEEDHM N#Cc1ccc(OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(F)c1 ZINC001592696019 1349708081 /nfs/dbraw/zinc/70/80/81/1349708081.db2.gz YDKHJAZDAMREKF-UHFFFAOYSA-N -1 3 340.274 2.365 20 30 EEEDHM O=C(C=Cc1nc2c(s1)CCCC2)c1cc(-c2nnn[n-]2)ccn1 ZINC001592804366 1349716287 /nfs/dbraw/zinc/71/62/87/1349716287.db2.gz XEFFXEMLEJOAGH-AATRIKPKSA-N -1 3 338.396 2.493 20 30 EEEDHM O=C(C=Cc1nc2c(s1)CCCC2)c1cc(-c2nn[n-]n2)ccn1 ZINC001592804366 1349716292 /nfs/dbraw/zinc/71/62/92/1349716292.db2.gz XEFFXEMLEJOAGH-AATRIKPKSA-N -1 3 338.396 2.493 20 30 EEEDHM Cn1c(CNC2(c3ccc(C#N)cc3)CCOCC2)ccc1C(=O)[O-] ZINC001600916299 1350168069 /nfs/dbraw/zinc/16/80/69/1350168069.db2.gz HHRABGQMDIHCMY-UHFFFAOYSA-N -1 3 339.395 2.390 20 30 EEEDHM N#CCOc1ccc(Cl)cc1CN[C@@]1(CC(=O)[O-])CCCOC1 ZINC001601073971 1350202854 /nfs/dbraw/zinc/20/28/54/1350202854.db2.gz FICMYXFKABKFNG-MRXNPFEDSA-N -1 3 338.791 2.356 20 30 EEEDHM C#CCCCCCCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001602711146 1350576115 /nfs/dbraw/zinc/57/61/15/1350576115.db2.gz KBKYJKSBVMHVLR-UHFFFAOYSA-N -1 3 347.444 2.071 20 30 EEEDHM C#CCCCCCCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001602711146 1350576121 /nfs/dbraw/zinc/57/61/21/1350576121.db2.gz KBKYJKSBVMHVLR-UHFFFAOYSA-N -1 3 347.444 2.071 20 30 EEEDHM C#CCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)C1CC1 ZINC001602712036 1350576212 /nfs/dbraw/zinc/57/62/12/1350576212.db2.gz BEYWWRQOPFCASV-UHFFFAOYSA-N -1 3 348.414 2.137 20 30 EEEDHM C#CCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)C1CC1 ZINC001602712036 1350576216 /nfs/dbraw/zinc/57/62/16/1350576216.db2.gz BEYWWRQOPFCASV-UHFFFAOYSA-N -1 3 348.414 2.137 20 30 EEEDHM C#Cc1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)c(OC)c2)c1 ZINC001602741390 1350578943 /nfs/dbraw/zinc/57/89/43/1350578943.db2.gz JOGZOUUNWQLJOF-UHFFFAOYSA-N -1 3 348.366 2.178 20 30 EEEDHM C#Cc1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)c(OC)c2)c1 ZINC001602741390 1350578944 /nfs/dbraw/zinc/57/89/44/1350578944.db2.gz JOGZOUUNWQLJOF-UHFFFAOYSA-N -1 3 348.366 2.178 20 30 EEEDHM C=C(C)C[C@H](C)C(=O)OCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC001602753780 1350581762 /nfs/dbraw/zinc/58/17/62/1350581762.db2.gz UEFKLPHCCLMCDA-NSHDSACASA-N -1 3 344.371 2.299 20 30 EEEDHM C=C(C)C[C@H](C)C(=O)OCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC001602753780 1350581764 /nfs/dbraw/zinc/58/17/64/1350581764.db2.gz UEFKLPHCCLMCDA-NSHDSACASA-N -1 3 344.371 2.299 20 30 EEEDHM C=CC(C)(C)CCNC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001602787041 1350586365 /nfs/dbraw/zinc/58/63/65/1350586365.db2.gz WWEITPYOWNUEHB-UHFFFAOYSA-N -1 3 344.419 2.277 20 30 EEEDHM C=CC(C)(C)CCNC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001602787041 1350586369 /nfs/dbraw/zinc/58/63/69/1350586369.db2.gz WWEITPYOWNUEHB-UHFFFAOYSA-N -1 3 344.419 2.277 20 30 EEEDHM C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001602788705 1350587108 /nfs/dbraw/zinc/58/71/08/1350587108.db2.gz MTRTYMASSCAUFT-GFCCVEGCSA-N -1 3 328.821 2.413 20 30 EEEDHM C=CCN(CCOC)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC001602851872 1350596648 /nfs/dbraw/zinc/59/66/48/1350596648.db2.gz AFVQSTHDDXAJIG-UHFFFAOYSA-N -1 3 347.423 2.090 20 30 EEEDHM C=CCN(CCOC)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC001602851872 1350596652 /nfs/dbraw/zinc/59/66/52/1350596652.db2.gz AFVQSTHDDXAJIG-UHFFFAOYSA-N -1 3 347.423 2.090 20 30 EEEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)[nH]2)nnc1N(C)[C@H](C)CCC ZINC001602876541 1350599619 /nfs/dbraw/zinc/59/96/19/1350599619.db2.gz YUHIJBSEEXYZHJ-LLVKDONJSA-N -1 3 341.423 2.264 20 30 EEEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)[nH]2)nnc1N(C)[C@H](C)CCC ZINC001602876541 1350599622 /nfs/dbraw/zinc/59/96/22/1350599622.db2.gz YUHIJBSEEXYZHJ-LLVKDONJSA-N -1 3 341.423 2.264 20 30 EEEDHM Cc1nc(Cl)cc(N=NC(C)c2ccccc2-c2nnn[n-]2)n1 ZINC001602907916 1350604094 /nfs/dbraw/zinc/60/40/94/1350604094.db2.gz CXIFWVOZFFVERO-UHFFFAOYSA-N -1 3 328.767 2.455 20 30 EEEDHM Cc1nc(Cl)cc(N=NC(C)c2ccccc2-c2nn[n-]n2)n1 ZINC001602907916 1350604099 /nfs/dbraw/zinc/60/40/99/1350604099.db2.gz CXIFWVOZFFVERO-UHFFFAOYSA-N -1 3 328.767 2.455 20 30 EEEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H]1CC[C@@H](C#N)C1 ZINC001603576939 1350722974 /nfs/dbraw/zinc/72/29/74/1350722974.db2.gz DNSDIULUNMFEPE-UXIGCNINSA-N -1 3 325.372 2.281 20 30 EEEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CC[C@@H](C#N)C1 ZINC001603576939 1350722976 /nfs/dbraw/zinc/72/29/76/1350722976.db2.gz DNSDIULUNMFEPE-UXIGCNINSA-N -1 3 325.372 2.281 20 30 EEEDHM CC1(C#N)CCN(C(=O)c2c[nH]c3cccc(-c4nnn[n-]4)c23)CC1 ZINC001603736102 1350755058 /nfs/dbraw/zinc/75/50/58/1350755058.db2.gz DXDUTWBVLRBYGT-UHFFFAOYSA-N -1 3 335.371 2.114 20 30 EEEDHM CC1(C#N)CCN(C(=O)c2c[nH]c3cccc(-c4nn[n-]n4)c23)CC1 ZINC001603736102 1350755061 /nfs/dbraw/zinc/75/50/61/1350755061.db2.gz DXDUTWBVLRBYGT-UHFFFAOYSA-N -1 3 335.371 2.114 20 30 EEEDHM CN(C(=O)c1cc(-c2nnn[n-]2)ccc1Cl)[C@@H]1CCC[C@@H]1C#N ZINC001604650376 1350977167 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CCOC(=O)[C@H](Cc1ccccc1)/N=C\c1c([O-])c(C)ncc1CO ZINC000920174762 770615012 /nfs/dbraw/zinc/61/50/12/770615012.db2.gz POJFIXLWHKSLHF-QREGZJMFSA-N -1 3 342.395 2.181 20 30 EEEDHM Cc1ncc(CO)c(/C=N\CC(=O)Nc2ccc(Cl)cc2)c1[O-] ZINC000920172181 770615890 /nfs/dbraw/zinc/61/58/90/770615890.db2.gz ANXBGPLEFZEYCW-WSVATBPTSA-N -1 3 333.775 2.299 20 30 EEEDHM O=S1(=O)NC(=NN=Cc2ccc([O-])c(Cl)c2)c2ccccc21 ZINC000921257684 773246727 /nfs/dbraw/zinc/24/67/27/773246727.db2.gz OJNLVBQRCZKZMQ-UHFFFAOYSA-N -1 3 335.772 2.118 20 30 EEEDHM O=S1(=O)[N-]C(=NN=Cc2ccc(O)c(Cl)c2)c2ccccc21 ZINC000921257684 773246733 /nfs/dbraw/zinc/24/67/33/773246733.db2.gz OJNLVBQRCZKZMQ-UHFFFAOYSA-N -1 3 335.772 2.118 20 30 EEEDHM Cc1nsc(N[C@H]2CCN(C(=O)c3ccccc3[O-])C2)c1C#N ZINC001058832399 774551736 /nfs/dbraw/zinc/55/17/36/774551736.db2.gz OPOHKSWATUIMOU-NSHDSACASA-N -1 3 328.397 2.355 20 30 EEEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000908647457 785603899 /nfs/dbraw/zinc/60/38/99/785603899.db2.gz CTLGMAGQTFVTPL-CQSZACIVSA-N -1 3 325.368 2.475 20 30 EEEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccccc1C(=O)c1ccccc1 ZINC000820482455 785941073 /nfs/dbraw/zinc/94/10/73/785941073.db2.gz KICGPNPZADITEQ-INIZCTEOSA-N -1 3 338.363 2.028 20 30 EEEDHM O=C(CSc1ccc2ccccc2c1)N[C@H]1CCCN([O-])C1=O ZINC000820482878 785942294 /nfs/dbraw/zinc/94/22/94/785942294.db2.gz SUDPPMVNHMUJQY-HNNXBMFYSA-N -1 3 330.409 2.428 20 30 EEEDHM C=CCC(CC=C)C(=O)N[C@@H](C)CCCCNCc1n[nH]c(=O)[n-]1 ZINC001170963098 786721506 /nfs/dbraw/zinc/72/15/06/786721506.db2.gz NUELSGZVCUHMFV-ZDUSSCGKSA-N -1 3 335.452 2.043 20 30 EEEDHM C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001062258125 787733481 /nfs/dbraw/zinc/73/34/81/787733481.db2.gz KVCADGXKWSGSPX-LSDHHAIUSA-N -1 3 346.427 2.094 20 30 EEEDHM CCCCCCCCNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825271971 788562239 /nfs/dbraw/zinc/56/22/39/788562239.db2.gz SKNPRGHYWVJGGG-OAHLLOKOSA-N -1 3 331.420 2.377 20 30 EEEDHM CCCCCCCCNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 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C=C[C@H](CC)CC(=O)N(C)CCCNc1ncccc1-c1nn[n-]n1 ZINC001588519137 1348912682 /nfs/dbraw/zinc/91/26/82/1348912682.db2.gz SQWSMZFSEMKIDH-CYBMUJFWSA-N -1 3 343.435 2.124 20 30 EEEDHM C=C[C@@H]1CCCCN1C(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588527490 1348913927 /nfs/dbraw/zinc/91/39/27/1348913927.db2.gz LPCRTYDXQFMPCY-HZPDHXFCSA-N -1 3 338.415 2.084 20 30 EEEDHM C=C[C@@H]1CCCCN1C(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588527490 1348913928 /nfs/dbraw/zinc/91/39/28/1348913928.db2.gz LPCRTYDXQFMPCY-HZPDHXFCSA-N -1 3 338.415 2.084 20 30 EEEDHM C=CC[C@@H]1CCN(C(=O)[C@H](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588565243 1348917702 /nfs/dbraw/zinc/91/77/02/1348917702.db2.gz XDXKQIUANCHRQP-UKRRQHHQSA-N -1 3 325.416 2.470 20 30 EEEDHM C=CC[C@@H]1CCN(C(=O)[C@H](C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588565243 1348917706 /nfs/dbraw/zinc/91/77/06/1348917706.db2.gz XDXKQIUANCHRQP-UKRRQHHQSA-N -1 3 325.416 2.470 20 30 EEEDHM C=CC[C@@H]1CCN(C(=O)NCCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588564564 1348917788 /nfs/dbraw/zinc/91/77/88/1348917788.db2.gz OHSALJVBDUKCHB-CQSZACIVSA-N -1 3 326.404 2.017 20 30 EEEDHM C=CC[C@@H]1CCN(C(=O)NCCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588564564 1348917790 /nfs/dbraw/zinc/91/77/90/1348917790.db2.gz OHSALJVBDUKCHB-CQSZACIVSA-N -1 3 326.404 2.017 20 30 EEEDHM C=CCCC(=O)N[C@H]1CCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001588571070 1348918925 /nfs/dbraw/zinc/91/89/25/1348918925.db2.gz SXNZEGHIFOEIRW-QWHCGFSZSA-N -1 3 341.419 2.067 20 30 EEEDHM C=CCCC(=O)N[C@H]1CCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001588571070 1348918928 /nfs/dbraw/zinc/91/89/28/1348918928.db2.gz SXNZEGHIFOEIRW-QWHCGFSZSA-N -1 3 341.419 2.067 20 30 EEEDHM C=CCCCC(=O)N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC001588588115 1348920850 /nfs/dbraw/zinc/92/08/50/1348920850.db2.gz DLFRVVKCRAVHOI-UHFFFAOYSA-N -1 3 344.394 2.011 20 30 EEEDHM C=CCCCC(=O)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC001588588115 1348920852 /nfs/dbraw/zinc/92/08/52/1348920852.db2.gz DLFRVVKCRAVHOI-UHFFFAOYSA-N -1 3 344.394 2.011 20 30 EEEDHM C=CCn1c(Cc2cccc(-c3nnn[n-]3)c2)nnc1N(C)CCC ZINC001588709039 1348930377 /nfs/dbraw/zinc/93/03/77/1348930377.db2.gz NTWQXVDHONRUPD-UHFFFAOYSA-N -1 3 338.419 2.081 20 30 EEEDHM C=CCn1c(Cc2cccc(-c3nn[n-]n3)c2)nnc1N(C)CCC ZINC001588709039 1348930381 /nfs/dbraw/zinc/93/03/81/1348930381.db2.gz NTWQXVDHONRUPD-UHFFFAOYSA-N -1 3 338.419 2.081 20 30 EEEDHM CC(=NN[C@H]1CCOC1(C)C)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588776403 1348934931 /nfs/dbraw/zinc/93/49/31/1348934931.db2.gz LXLAOBXALLUKIQ-ZDUSSCGKSA-N -1 3 334.811 2.401 20 30 EEEDHM CC(=NN[C@H]1CCOC1(C)C)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588776403 1348934935 /nfs/dbraw/zinc/93/49/35/1348934935.db2.gz LXLAOBXALLUKIQ-ZDUSSCGKSA-N -1 3 334.811 2.401 20 30 EEEDHM CC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588776605 1348935513 /nfs/dbraw/zinc/93/55/13/1348935513.db2.gz WJCRCKDTAJIZFU-DDFAGTSDSA-N -1 3 332.383 2.275 20 30 EEEDHM CC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588776605 1348935515 /nfs/dbraw/zinc/93/55/15/1348935515.db2.gz WJCRCKDTAJIZFU-DDFAGTSDSA-N -1 3 332.383 2.275 20 30 EEEDHM CC(=O)c1cc(C#N)ccc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588895193 1348942777 /nfs/dbraw/zinc/94/27/77/1348942777.db2.gz ZKSWRNHBESHUAK-UHFFFAOYSA-N -1 3 346.350 2.122 20 30 EEEDHM CC(=O)c1cc(C#N)ccc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588895193 1348942779 /nfs/dbraw/zinc/94/27/79/1348942779.db2.gz ZKSWRNHBESHUAK-UHFFFAOYSA-N -1 3 346.350 2.122 20 30 EEEDHM CC(C)(C(=O)N1CCC(C#N)CC1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589037756 1348954042 /nfs/dbraw/zinc/95/40/42/1348954042.db2.gz GRUYKDHTBUILRG-UHFFFAOYSA-N -1 3 342.378 2.046 20 30 EEEDHM CC(C)(C(=O)N1CCC(C#N)CC1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589037756 1348954045 /nfs/dbraw/zinc/95/40/45/1348954045.db2.gz GRUYKDHTBUILRG-UHFFFAOYSA-N -1 3 342.378 2.046 20 30 EEEDHM C[C@@H](SCCC#N)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC001590032666 1349118526 /nfs/dbraw/zinc/11/85/26/1349118526.db2.gz CTDHWISYDCQFOC-MRVPVSSYSA-N -1 3 348.457 2.391 20 30 EEEDHM C[C@@H](SCCC#N)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC001590032666 1349118529 /nfs/dbraw/zinc/11/85/29/1349118529.db2.gz CTDHWISYDCQFOC-MRVPVSSYSA-N -1 3 348.457 2.391 20 30 EEEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C#Cc1ccccc1 ZINC001590040189 1349122056 /nfs/dbraw/zinc/12/20/56/1349122056.db2.gz HPQKNXVPDZRMBX-CQSZACIVSA-N -1 3 331.379 2.438 20 30 EEEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C#Cc1ccccc1 ZINC001590040189 1349122062 /nfs/dbraw/zinc/12/20/62/1349122062.db2.gz HPQKNXVPDZRMBX-CQSZACIVSA-N -1 3 331.379 2.438 20 30 EEEDHM CCCCCCCC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001590592732 1349376175 /nfs/dbraw/zinc/37/61/75/1349376175.db2.gz GTBRTRDOKMPZPN-CYBMUJFWSA-N -1 3 348.451 2.047 20 30 EEEDHM CCCCCCCC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001590592732 1349376180 /nfs/dbraw/zinc/37/61/80/1349376180.db2.gz GTBRTRDOKMPZPN-CYBMUJFWSA-N -1 3 348.451 2.047 20 30 EEEDHM CCOC(=O)C(C)(C)ON=C(C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001590749731 1349396176 /nfs/dbraw/zinc/39/61/76/1349396176.db2.gz MYSAYGDVJCYJDV-UHFFFAOYSA-N -1 3 335.339 2.088 20 30 EEEDHM CCOC(=O)C(C)(C)ON=C(C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001590749731 1349396184 /nfs/dbraw/zinc/39/61/84/1349396184.db2.gz MYSAYGDVJCYJDV-UHFFFAOYSA-N -1 3 335.339 2.088 20 30 EEEDHM Cn1c(Cl)nc(Cl)c1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC001592553659 1349656575 /nfs/dbraw/zinc/65/65/75/1349656575.db2.gz IUNWCMKQJZREEO-UHFFFAOYSA-N -1 3 337.174 2.353 20 30 EEEDHM Cn1c(Cl)nc(Cl)c1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC001592553659 1349656579 /nfs/dbraw/zinc/65/65/79/1349656579.db2.gz IUNWCMKQJZREEO-UHFFFAOYSA-N -1 3 337.174 2.353 20 30 EEEDHM N#CC1CCC(CNC(=S)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC001592671834 1349703777 /nfs/dbraw/zinc/70/37/77/1349703777.db2.gz YHMTXVWPGMNTJL-UHFFFAOYSA-N -1 3 341.444 2.483 20 30 EEEDHM N#CC1CCC(CNC(=S)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC001592671834 1349703778 /nfs/dbraw/zinc/70/37/78/1349703778.db2.gz YHMTXVWPGMNTJL-UHFFFAOYSA-N -1 3 341.444 2.483 20 30 EEEDHM N#Cc1cc(N2CCC(Nc3ccccc3-c3nnn[n-]3)CC2)ccn1 ZINC001592689640 1349707020 /nfs/dbraw/zinc/70/70/20/1349707020.db2.gz PRZFRNHCTAFDBC-UHFFFAOYSA-N -1 3 346.398 2.214 20 30 EEEDHM N#Cc1cc(N2CCC(Nc3ccccc3-c3nn[n-]n3)CC2)ccn1 ZINC001592689640 1349707024 /nfs/dbraw/zinc/70/70/24/1349707024.db2.gz PRZFRNHCTAFDBC-UHFFFAOYSA-N -1 3 346.398 2.214 20 30 EEEDHM C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001602756365 1350582058 /nfs/dbraw/zinc/58/20/58/1350582058.db2.gz LWUUJKYDTLJTJI-STQMWFEESA-N -1 3 343.435 2.313 20 30 EEEDHM C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001602756365 1350582060 /nfs/dbraw/zinc/58/20/60/1350582060.db2.gz LWUUJKYDTLJTJI-STQMWFEESA-N -1 3 343.435 2.313 20 30 EEEDHM C=C(C)CCC(=O)NC/C=C\CNc1snc(C)c1-c1nnn[n-]1 ZINC001602759592 1350582679 /nfs/dbraw/zinc/58/26/79/1350582679.db2.gz LMMSIVKSNYHWPF-PLNGDYQASA-N -1 3 347.448 2.072 20 30 EEEDHM C=C(C)CONC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001602763169 1350583202 /nfs/dbraw/zinc/58/32/02/1350583202.db2.gz DWAQQGYUKSJQTE-UHFFFAOYSA-N -1 3 330.392 2.294 20 30 EEEDHM C=C(C)CONC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001602763169 1350583203 /nfs/dbraw/zinc/58/32/03/1350583203.db2.gz DWAQQGYUKSJQTE-UHFFFAOYSA-N -1 3 330.392 2.294 20 30 EEEDHM C=CCCC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)CC(C)C ZINC001602825253 1350591682 /nfs/dbraw/zinc/59/16/82/1350591682.db2.gz VSAOLJLAFQGJRN-CQSZACIVSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCCC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)CC(C)C ZINC001602825253 1350591688 /nfs/dbraw/zinc/59/16/88/1350591688.db2.gz VSAOLJLAFQGJRN-CQSZACIVSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCN(Cc1ccccc1)C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001602859806 1350597586 /nfs/dbraw/zinc/59/75/86/1350597586.db2.gz LHDYQAYEIGQCIO-UHFFFAOYSA-N -1 3 349.394 2.460 20 30 EEEDHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(NCc2ccc(C#N)cn2)n1 ZINC001603116399 1350643826 /nfs/dbraw/zinc/64/38/26/1350643826.db2.gz ZNAUUPLIULNTHM-UHFFFAOYSA-N -1 3 334.387 2.438 20 30 EEEDHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(NCc2ccc(C#N)cn2)n1 ZINC001603116399 1350643829 /nfs/dbraw/zinc/64/38/29/1350643829.db2.gz ZNAUUPLIULNTHM-UHFFFAOYSA-N -1 3 334.387 2.438 20 30 EEEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCC#CC(C)(C)C ZINC001603717804 1350748739 /nfs/dbraw/zinc/74/87/39/1350748739.db2.gz KWAFWBRVCMPICI-GFCCVEGCSA-N -1 3 328.372 2.227 20 30 EEEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCC#CC(C)(C)C ZINC001603717804 1350748740 /nfs/dbraw/zinc/74/87/40/1350748740.db2.gz KWAFWBRVCMPICI-GFCCVEGCSA-N -1 3 328.372 2.227 20 30 EEEDHM CC1(C)CO[C@H](CCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1 ZINC001603789778 1350768393 /nfs/dbraw/zinc/76/83/93/1350768393.db2.gz SVGPINJGPMXMDE-CYBMUJFWSA-N -1 3 340.387 2.272 20 30 EEEDHM CC1(C)CO[C@H](CCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1 ZINC001603789778 1350768396 /nfs/dbraw/zinc/76/83/96/1350768396.db2.gz SVGPINJGPMXMDE-CYBMUJFWSA-N -1 3 340.387 2.272 20 30 EEEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC1(CC#N)CC1 ZINC001604454521 1350941313 /nfs/dbraw/zinc/94/13/13/1350941313.db2.gz ZGBCRDCDHFMLIT-UHFFFAOYSA-N -1 3 341.375 2.081 20 30 EEEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC1(CC#N)CC1 ZINC001604454521 1350941314 /nfs/dbraw/zinc/94/13/14/1350941314.db2.gz ZGBCRDCDHFMLIT-UHFFFAOYSA-N -1 3 341.375 2.081 20 30 EEEDHM Cc1c(C(=O)Nc2ccc(OCC#N)cc2)cccc1-c1nnn[n-]1 ZINC001605480923 1351168110 /nfs/dbraw/zinc/16/81/10/1351168110.db2.gz VQELGXPMBGVZRD-UHFFFAOYSA-N -1 3 334.339 2.330 20 30 EEEDHM Cc1c(C(=O)Nc2ccc(OCC#N)cc2)cccc1-c1nn[n-]n1 ZINC001605480923 1351168113 /nfs/dbraw/zinc/16/81/13/1351168113.db2.gz VQELGXPMBGVZRD-UHFFFAOYSA-N -1 3 334.339 2.330 20 30 EEEDHM Cc1ccc(S[C@@H](C)C(=O)NC2(C#N)CCC2)c(-c2nnn[n-]2)c1 ZINC001605881817 1351245010 /nfs/dbraw/zinc/24/50/10/1351245010.db2.gz LTNWNNIDPOVNKF-NSHDSACASA-N -1 3 342.428 2.218 20 30 EEEDHM Cc1ccc(S[C@@H](C)C(=O)NC2(C#N)CCC2)c(-c2nn[n-]n2)c1 ZINC001605881817 1351245013 /nfs/dbraw/zinc/24/50/13/1351245013.db2.gz LTNWNNIDPOVNKF-NSHDSACASA-N -1 3 342.428 2.218 20 30 EEEDHM 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N#Cc1cc(C(=O)N2CCc3c2cccc3-c2nn[n-]n2)ccc1F ZINC001581864205 1344681582 /nfs/dbraw/zinc/68/15/82/1344681582.db2.gz LRVLWJDAQGXMNJ-UHFFFAOYSA-N -1 3 334.314 2.080 20 30 EEEDHM N#Cc1cccc(NC2CN(c3cc(F)ccc3-c3nnn[n-]3)C2)c1 ZINC001581875757 1344684219 /nfs/dbraw/zinc/68/42/19/1344684219.db2.gz NYASTNZPRMGPQA-UHFFFAOYSA-N -1 3 335.346 2.178 20 30 EEEDHM N#Cc1cccc(NC2CN(c3cc(F)ccc3-c3nn[n-]n3)C2)c1 ZINC001581875757 1344684224 /nfs/dbraw/zinc/68/42/24/1344684224.db2.gz NYASTNZPRMGPQA-UHFFFAOYSA-N -1 3 335.346 2.178 20 30 EEEDHM C#C[C@@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC001588326442 1348887352 /nfs/dbraw/zinc/88/73/52/1348887352.db2.gz LZPIWTXRCJZPTE-GFCCVEGCSA-N -1 3 333.351 2.411 20 30 EEEDHM C#C[C@@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC001588326442 1348887359 /nfs/dbraw/zinc/88/73/59/1348887359.db2.gz LZPIWTXRCJZPTE-GFCCVEGCSA-N -1 3 333.351 2.411 20 30 EEEDHM C#C[C@H](NC(=O)NCCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001588329811 1348890003 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C#CCCCCCC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001588345541 1348892423 /nfs/dbraw/zinc/89/24/23/1348892423.db2.gz DUOIEVMBOSPTLC-UHFFFAOYSA-N -1 3 343.343 2.402 20 30 EEEDHM C#CCCCCCC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001588345541 1348892426 /nfs/dbraw/zinc/89/24/26/1348892426.db2.gz DUOIEVMBOSPTLC-UHFFFAOYSA-N -1 3 343.343 2.402 20 30 EEEDHM C#Cc1ccccc1CC(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC001588376212 1348897949 /nfs/dbraw/zinc/89/79/49/1348897949.db2.gz DGFYIVZAWWWGLR-UHFFFAOYSA-N -1 3 336.326 2.273 20 30 EEEDHM C#Cc1ccccc1CC(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC001588376212 1348897954 /nfs/dbraw/zinc/89/79/54/1348897954.db2.gz DGFYIVZAWWWGLR-UHFFFAOYSA-N -1 3 336.326 2.273 20 30 EEEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001588400893 1348900589 /nfs/dbraw/zinc/90/05/89/1348900589.db2.gz IKAKGXZTFHSSDB-BXUZGUMPSA-N -1 3 330.348 2.168 20 30 EEEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001588400893 1348900593 /nfs/dbraw/zinc/90/05/93/1348900593.db2.gz IKAKGXZTFHSSDB-BXUZGUMPSA-N -1 3 330.348 2.168 20 30 EEEDHM C=C[C@](C)(CCOC)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588496359 1348910128 /nfs/dbraw/zinc/91/01/28/1348910128.db2.gz PWFRYGPEODSCHY-SJKOYZFVSA-N -1 3 329.404 2.273 20 30 EEEDHM C=C[C@](C)(CCOC)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588496359 1348910129 /nfs/dbraw/zinc/91/01/29/1348910129.db2.gz PWFRYGPEODSCHY-SJKOYZFVSA-N -1 3 329.404 2.273 20 30 EEEDHM C=C[C@H](CC)CC(=O)NC[C@@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001588521419 1348912761 /nfs/dbraw/zinc/91/27/61/1348912761.db2.gz NEGYMJRRXHVOIG-CHWSQXEVSA-N -1 3 343.435 2.028 20 30 EEEDHM C=C[C@H](CC)CC(=O)NC[C@@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001588521419 1348912765 /nfs/dbraw/zinc/91/27/65/1348912765.db2.gz NEGYMJRRXHVOIG-CHWSQXEVSA-N -1 3 343.435 2.028 20 30 EEEDHM C=CCC(C)(C)CNS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001588539607 1348914777 /nfs/dbraw/zinc/91/47/77/1348914777.db2.gz RBRBZLNDMGKGSY-UHFFFAOYSA-N -1 3 335.433 2.056 20 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C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)c1noc(C)n1 ZINC001588647675 1348926070 /nfs/dbraw/zinc/92/60/70/1348926070.db2.gz AFWNZPUIMYXYRZ-LLVKDONJSA-N -1 3 325.376 2.307 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)c1noc(C)n1 ZINC001588647675 1348926072 /nfs/dbraw/zinc/92/60/72/1348926072.db2.gz AFWNZPUIMYXYRZ-LLVKDONJSA-N -1 3 325.376 2.307 20 30 EEEDHM C=CCNC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC001588662783 1348927853 /nfs/dbraw/zinc/92/78/53/1348927853.db2.gz AFKCIXOFSRFFPX-UHFFFAOYSA-N -1 3 335.367 2.362 20 30 EEEDHM C=CCNC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC001588662783 1348927856 /nfs/dbraw/zinc/92/78/56/1348927856.db2.gz AFKCIXOFSRFFPX-UHFFFAOYSA-N -1 3 335.367 2.362 20 30 EEEDHM C=CCN(Cc1cccs1)C(=O)c1cnccc1-c1nnn[n-]1 ZINC001588653700 1348928238 /nfs/dbraw/zinc/92/82/38/1348928238.db2.gz VDGOROPTBQUKOK-UHFFFAOYSA-N -1 3 326.385 2.152 20 30 EEEDHM C=CCN(Cc1cccs1)C(=O)c1cnccc1-c1nn[n-]n1 ZINC001588653700 1348928242 /nfs/dbraw/zinc/92/82/42/1348928242.db2.gz 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C=CCCCC(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C[C@@H]1C ZINC001602832573 1350592991 /nfs/dbraw/zinc/59/29/91/1350592991.db2.gz TWBUYDRFINIXOP-JSGCOSHPSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCCC(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C[C@@H]1C ZINC001602832573 1350592995 /nfs/dbraw/zinc/59/29/95/1350592995.db2.gz TWBUYDRFINIXOP-JSGCOSHPSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCC(C)(C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001602833491 1350593534 /nfs/dbraw/zinc/59/35/34/1350593534.db2.gz NORKQLONYSYYOI-UHFFFAOYSA-N -1 3 335.433 2.198 20 30 EEEDHM C=CCCC(C)(C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001602833491 1350593540 /nfs/dbraw/zinc/59/35/40/1350593540.db2.gz NORKQLONYSYYOI-UHFFFAOYSA-N -1 3 335.433 2.198 20 30 EEEDHM C=CCCCCCNC(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001602837614 1350593780 /nfs/dbraw/zinc/59/37/80/1350593780.db2.gz AMMYJEOPOYABRL-UHFFFAOYSA-N -1 3 328.420 2.455 20 30 EEEDHM C=CCCCCCNC(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001602837614 1350593781 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EEEDHM Cc1ncc(CO)c(C=NCc2cc3c([nH]c2=O)CCCC3)c1[O-] ZINC000864349454 1369594765 /nfs/dbraw/zinc/59/47/65/1369594765.db2.gz YEAQTHUNPMUNFF-OCKHKDLRSA-N -1 3 327.384 2.186 20 30 EEEDHM CC[C@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H](C)C(=O)OC ZINC000836111791 1372689101 /nfs/dbraw/zinc/68/91/01/1372689101.db2.gz SBQXLPSGQQUGNU-ABAIWWIYSA-N -1 3 348.399 2.339 20 30 EEEDHM C=C(Cl)CN(C)[C@H](C)CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001394099420 1390612822 /nfs/dbraw/zinc/61/28/22/1390612822.db2.gz WVNNSTTYLUFMMC-LLVKDONJSA-N -1 3 340.855 2.417 20 30 EEEDHM C=CCCC(=O)N(C)[C@@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001753434463 1406740945 /nfs/dbraw/zinc/74/09/45/1406740945.db2.gz WITYZAGNPHPFIX-OAHLLOKOSA-N -1 3 330.432 2.059 20 30 EEEDHM Cc1cc(O)ccc1NC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592055769 1403990446 /nfs/dbraw/zinc/99/04/46/1403990446.db2.gz DXUDIASERVPRPD-CQSZACIVSA-N -1 3 348.366 2.202 20 30 EEEDHM Cc1cc(O)ccc1NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001592055769 1403990454 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/nfs/dbraw/zinc/49/35/31/1322493531.db2.gz YSFCRPIAFWEGAW-CYBMUJFWSA-N -1 3 345.403 2.364 20 30 EEEDHM CC[C@H](CC#N)NCc1ccc(-c2nnn[n-]2)cc1Br ZINC001590419702 1349315533 /nfs/dbraw/zinc/31/55/33/1349315533.db2.gz PQNPNEWZSXMRGV-LLVKDONJSA-N -1 3 335.209 2.411 20 30 EEEDHM CC[C@H](CC#N)NCc1ccc(-c2nn[n-]n2)cc1Br ZINC001590419702 1349315537 /nfs/dbraw/zinc/31/55/37/1349315537.db2.gz PQNPNEWZSXMRGV-LLVKDONJSA-N -1 3 335.209 2.411 20 30 EEEDHM N#CCCCC[C@H](N)C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001601064753 1350200749 /nfs/dbraw/zinc/20/07/49/1350200749.db2.gz IGTFAZJMOHKEIU-IRXDYDNUSA-N -1 3 339.395 2.493 20 30 EEEDHM COc1cc(OCc2cccc(C#N)c2F)cc(-c2nnn[n-]2)c1 ZINC001605236161 1351112460 /nfs/dbraw/zinc/11/24/60/1351112460.db2.gz DFOYOBPOUGYIHB-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM COc1cc(OCc2cccc(C#N)c2F)cc(-c2nn[n-]n2)c1 ZINC001605236161 1351112463 /nfs/dbraw/zinc/11/24/63/1351112463.db2.gz DFOYOBPOUGYIHB-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM C#CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)c(C)n1)c1ccccc1 ZINC001609020320 1351816256 /nfs/dbraw/zinc/81/62/56/1351816256.db2.gz YHYDCYMNLMLQCH-OAHLLOKOSA-N -1 3 332.367 2.065 20 30 EEEDHM C#CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)c(C)n1)c1ccccc1 ZINC001609020320 1351816258 /nfs/dbraw/zinc/81/62/58/1351816258.db2.gz YHYDCYMNLMLQCH-OAHLLOKOSA-N -1 3 332.367 2.065 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)N(C)CCOCc1ccc(-c2nnn[n-]2)cc1 ZINC001609052057 1351824826 /nfs/dbraw/zinc/82/48/26/1351824826.db2.gz JTIRQIKXVMPPOL-SFHVURJKSA-N -1 3 343.431 2.444 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)N(C)CCOCc1ccc(-c2nn[n-]n2)cc1 ZINC001609052057 1351824829 /nfs/dbraw/zinc/82/48/29/1351824829.db2.gz JTIRQIKXVMPPOL-SFHVURJKSA-N -1 3 343.431 2.444 20 30 EEEDHM C[C@@H](C#N)CN(C)C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609067558 1351830065 /nfs/dbraw/zinc/83/00/65/1351830065.db2.gz VPDUSTABIMTSTD-XHDPSFHLSA-N -1 3 339.403 2.045 20 30 EEEDHM C[C@@H](C#N)CN(C)C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609067558 1351830067 /nfs/dbraw/zinc/83/00/67/1351830067.db2.gz VPDUSTABIMTSTD-XHDPSFHLSA-N -1 3 339.403 2.045 20 30 EEEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC001609350721 1351942136 /nfs/dbraw/zinc/94/21/36/1351942136.db2.gz PCZTXZOFKMMCBH-INIZCTEOSA-N -1 3 341.375 2.033 20 30 EEEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC001609350721 1351942138 /nfs/dbraw/zinc/94/21/38/1351942138.db2.gz PCZTXZOFKMMCBH-INIZCTEOSA-N -1 3 341.375 2.033 20 30 EEEDHM Cc1nsc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1C#N ZINC001609464929 1351987275 /nfs/dbraw/zinc/98/72/75/1351987275.db2.gz IVLWTWVBGRLKQB-SREVYHEPSA-N -1 3 337.368 2.155 20 30 EEEDHM Cc1nsc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1C#N ZINC001609464929 1351987278 /nfs/dbraw/zinc/98/72/78/1351987278.db2.gz IVLWTWVBGRLKQB-SREVYHEPSA-N -1 3 337.368 2.155 20 30 EEEDHM N#C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)cc1 ZINC001609493097 1351997658 /nfs/dbraw/zinc/99/76/58/1351997658.db2.gz IJEXVIXDNYLHJJ-ZDUSSCGKSA-N -1 3 336.330 2.327 20 30 EEEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)cc1 ZINC001609493097 1351997663 /nfs/dbraw/zinc/99/76/63/1351997663.db2.gz IJEXVIXDNYLHJJ-ZDUSSCGKSA-N -1 3 336.330 2.327 20 30 EEEDHM N#C[C@@]1(C(=O)N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)CC12CCCC2 ZINC001609493216 1351997865 /nfs/dbraw/zinc/99/78/65/1351997865.db2.gz DEBPWFYDTODULG-DNVCBOLYSA-N -1 3 348.410 2.444 20 30 EEEDHM N#C[C@@]1(C(=O)N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)CC12CCCC2 ZINC001609493216 1351997867 /nfs/dbraw/zinc/99/78/67/1351997867.db2.gz DEBPWFYDTODULG-DNVCBOLYSA-N -1 3 348.410 2.444 20 30 EEEDHM N#CCOc1cccc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC001609496030 1351998690 /nfs/dbraw/zinc/99/86/90/1351998690.db2.gz FWEBMKQAXFEWBX-UHFFFAOYSA-N -1 3 349.354 2.091 20 30 EEEDHM N#CCOc1cccc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC001609496030 1351998693 /nfs/dbraw/zinc/99/86/93/1351998693.db2.gz FWEBMKQAXFEWBX-UHFFFAOYSA-N -1 3 349.354 2.091 20 30 EEEDHM C#C[C@@H](CCC)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001353653228 1338313194 /nfs/dbraw/zinc/31/31/94/1338313194.db2.gz CZPUKUJBSAUPHG-JTQLQIEISA-N -1 3 328.821 2.243 20 30 EEEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001356133255 1338796887 /nfs/dbraw/zinc/79/68/87/1338796887.db2.gz GGDJJABMNCVBHL-VXGBXAGGSA-N -1 3 328.420 2.417 20 30 EEEDHM CC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1noc(C)n1 ZINC001435427899 1341987529 /nfs/dbraw/zinc/98/75/29/1341987529.db2.gz XJZANHIXPSHFTO-AWEZNQCLSA-N -1 3 343.387 2.167 20 30 EEEDHM CCN(C(=O)c1ncc(-c2nnn[n-]2)cc1C)c1ccc(C#N)cc1 ZINC001577841320 1344204958 /nfs/dbraw/zinc/20/49/58/1344204958.db2.gz DLPVGWKWWCYFRR-UHFFFAOYSA-N -1 3 333.355 2.109 20 30 EEEDHM CCN(C(=O)c1ncc(-c2nn[n-]n2)cc1C)c1ccc(C#N)cc1 ZINC001577841320 1344204965 /nfs/dbraw/zinc/20/49/65/1344204965.db2.gz DLPVGWKWWCYFRR-UHFFFAOYSA-N -1 3 333.355 2.109 20 30 EEEDHM CSc1ccc(CNc2nc(C)cc(C#N)n2)cc1-c1nnn[n-]1 ZINC001580234801 1344495382 /nfs/dbraw/zinc/49/53/82/1344495382.db2.gz HDDXMZJNFSBRTF-UHFFFAOYSA-N -1 3 338.400 2.171 20 30 EEEDHM CSc1ccc(CNc2nc(C)cc(C#N)n2)cc1-c1nn[n-]n1 ZINC001580234801 1344495387 /nfs/dbraw/zinc/49/53/87/1344495387.db2.gz HDDXMZJNFSBRTF-UHFFFAOYSA-N -1 3 338.400 2.171 20 30 EEEDHM N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC001581857125 1344678368 /nfs/dbraw/zinc/67/83/68/1344678368.db2.gz QKCUIBCDYWMEKA-XHSDSOJGSA-N -1 3 336.399 2.169 20 30 EEEDHM N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC001581857125 1344678372 /nfs/dbraw/zinc/67/83/72/1344678372.db2.gz QKCUIBCDYWMEKA-XHSDSOJGSA-N -1 3 336.399 2.169 20 30 EEEDHM N#CCc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001581858582 1344679628 /nfs/dbraw/zinc/67/96/28/1344679628.db2.gz MSFZVTVSEWICQQ-UHFFFAOYSA-N -1 3 333.355 2.254 20 30 EEEDHM N#CCc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001581858582 1344679632 /nfs/dbraw/zinc/67/96/32/1344679632.db2.gz MSFZVTVSEWICQQ-UHFFFAOYSA-N -1 3 333.355 2.254 20 30 EEEDHM N#C[C@H]1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Br)C1 ZINC001581860080 1344680175 /nfs/dbraw/zinc/68/01/75/1344680175.db2.gz JXVNIEWSQZDODR-IONNQARKSA-N -1 3 334.181 2.128 20 30 EEEDHM N#C[C@H]1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Br)C1 ZINC001581860080 1344680180 /nfs/dbraw/zinc/68/01/80/1344680180.db2.gz JXVNIEWSQZDODR-IONNQARKSA-N -1 3 334.181 2.128 20 30 EEEDHM N#Cc1cccc(ONC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC001581875574 1344683715 /nfs/dbraw/zinc/68/37/15/1344683715.db2.gz FXUSWICWLGFJEI-UHFFFAOYSA-N -1 3 340.730 2.116 20 30 EEEDHM N#Cc1cccc(ONC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC001581875574 1344683721 /nfs/dbraw/zinc/68/37/21/1344683721.db2.gz FXUSWICWLGFJEI-UHFFFAOYSA-N -1 3 340.730 2.116 20 30 EEEDHM C#C[C@](C)(CC)NC(=O)Nc1cc(C)c(N(C)C)cc1-c1nnn[n-]1 ZINC001588325305 1348887153 /nfs/dbraw/zinc/88/71/53/1348887153.db2.gz JUDOKGVMBUXPCS-QGZVFWFLSA-N -1 3 341.419 2.165 20 30 EEEDHM C#C[C@](C)(CC)NC(=O)Nc1cc(C)c(N(C)C)cc1-c1nn[n-]n1 ZINC001588325305 1348887160 /nfs/dbraw/zinc/88/71/60/1348887160.db2.gz JUDOKGVMBUXPCS-QGZVFWFLSA-N -1 3 341.419 2.165 20 30 EEEDHM C#C[C@@H](NC(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001588329299 1348888591 /nfs/dbraw/zinc/88/85/91/1348888591.db2.gz CPOTTYCWQSMDEJ-SWLSCSKDSA-N -1 3 326.404 2.227 20 30 EEEDHM C#C[C@@H](NC(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001588329299 1348888595 /nfs/dbraw/zinc/88/85/95/1348888595.db2.gz CPOTTYCWQSMDEJ-SWLSCSKDSA-N -1 3 326.404 2.227 20 30 EEEDHM C#CCn1ccc(CN(CC)[C@@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC001588364216 1348896609 /nfs/dbraw/zinc/89/66/09/1348896609.db2.gz ZSSMKQPVDYSNBF-AWEZNQCLSA-N -1 3 335.415 2.280 20 30 EEEDHM C=C[C@@](C)(CCOC)C(=O)N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001588495729 1348910271 /nfs/dbraw/zinc/91/02/71/1348910271.db2.gz ISOVVEPMLYXFSB-HNNXBMFYSA-N -1 3 335.433 2.115 20 30 EEEDHM C=C[C@@](C)(CCOC)C(=O)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001588495729 1348910274 /nfs/dbraw/zinc/91/02/74/1348910274.db2.gz ISOVVEPMLYXFSB-HNNXBMFYSA-N -1 3 335.433 2.115 20 30 EEEDHM C=C[C@@H](CC)CC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001588526637 1348913449 /nfs/dbraw/zinc/91/34/49/1348913449.db2.gz ZVKVDHRUFVISRQ-JTQLQIEISA-N -1 3 331.332 2.420 20 30 EEEDHM C=C[C@@H](CC)CC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001588526637 1348913454 /nfs/dbraw/zinc/91/34/54/1348913454.db2.gz ZVKVDHRUFVISRQ-JTQLQIEISA-N -1 3 331.332 2.420 20 30 EEEDHM C=CCC1(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)CCOCC1 ZINC001588551782 1348915404 /nfs/dbraw/zinc/91/54/04/1348915404.db2.gz HOYOBGOKTZWKRC-UHFFFAOYSA-N -1 3 339.399 2.129 20 30 EEEDHM C=CCC1(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)CCOCC1 ZINC001588551782 1348915410 /nfs/dbraw/zinc/91/54/10/1348915410.db2.gz HOYOBGOKTZWKRC-UHFFFAOYSA-N -1 3 339.399 2.129 20 30 EEEDHM C=CCC1(CNC(=O)COc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC001588557772 1348916771 /nfs/dbraw/zinc/91/67/71/1348916771.db2.gz UPDRMDHYWKZZHO-UHFFFAOYSA-N -1 3 341.415 2.498 20 30 EEEDHM C=CCC1(CNC(=O)COc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC001588557772 1348916772 /nfs/dbraw/zinc/91/67/72/1348916772.db2.gz UPDRMDHYWKZZHO-UHFFFAOYSA-N -1 3 341.415 2.498 20 30 EEEDHM C=CCCCNC(=O)Nc1cc(C)c(N(C)C)cc1-c1nnn[n-]1 ZINC001588600669 1348922674 /nfs/dbraw/zinc/92/26/74/1348922674.db2.gz KLXCQRPNUAXRTH-UHFFFAOYSA-N -1 3 329.408 2.329 20 30 EEEDHM C=CCCCNC(=O)Nc1cc(C)c(N(C)C)cc1-c1nn[n-]n1 ZINC001588600669 1348922676 /nfs/dbraw/zinc/92/26/76/1348922676.db2.gz KLXCQRPNUAXRTH-UHFFFAOYSA-N -1 3 329.408 2.329 20 30 EEEDHM C=CCCn1cc(COc2ccc(-c3nnn[n-]3)cc2OCC)nn1 ZINC001588626081 1348924425 /nfs/dbraw/zinc/92/44/25/1348924425.db2.gz SBNCIFYNLXWWSG-UHFFFAOYSA-N -1 3 341.375 2.012 20 30 EEEDHM C=CCCn1cc(COc2ccc(-c3nn[n-]n3)cc2OCC)nn1 ZINC001588626081 1348924428 /nfs/dbraw/zinc/92/44/28/1348924428.db2.gz SBNCIFYNLXWWSG-UHFFFAOYSA-N -1 3 341.375 2.012 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)c1nnc(CCC)n1C ZINC001588652137 1348926854 /nfs/dbraw/zinc/92/68/54/1348926854.db2.gz LEEOXAIPAMPALG-UHFFFAOYSA-N -1 3 338.419 2.140 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)c1nnc(CCC)n1C ZINC001588652137 1348926858 /nfs/dbraw/zinc/92/68/58/1348926858.db2.gz LEEOXAIPAMPALG-UHFFFAOYSA-N -1 3 338.419 2.140 20 30 EEEDHM C=CCN1CC[C@@H](Sc2c(Cl)cccc2-c2nnn[n-]2)C1=O ZINC001588657472 1348928095 /nfs/dbraw/zinc/92/80/95/1348928095.db2.gz OAIRMAOHLFWECG-LLVKDONJSA-N -1 3 335.820 2.399 20 30 EEEDHM C=CCN1CC[C@@H](Sc2c(Cl)cccc2-c2nn[n-]n2)C1=O ZINC001588657472 1348928099 /nfs/dbraw/zinc/92/80/99/1348928099.db2.gz OAIRMAOHLFWECG-LLVKDONJSA-N -1 3 335.820 2.399 20 30 EEEDHM C=CCSCCNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001588688504 1348929078 /nfs/dbraw/zinc/92/90/78/1348929078.db2.gz HRPPQAHDBNMFEP-UHFFFAOYSA-N -1 3 349.485 2.135 20 30 EEEDHM C=CCSCCNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001588688504 1348929081 /nfs/dbraw/zinc/92/90/81/1348929081.db2.gz HRPPQAHDBNMFEP-UHFFFAOYSA-N -1 3 349.485 2.135 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588725380 1348931047 /nfs/dbraw/zinc/93/10/47/1348931047.db2.gz CKIRDBGDCICPKJ-ZANVPECISA-N -1 3 348.794 2.233 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588725380 1348931050 /nfs/dbraw/zinc/93/10/50/1348931050.db2.gz CKIRDBGDCICPKJ-ZANVPECISA-N -1 3 348.794 2.233 20 30 EEEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cc(N)ccc1F ZINC001588777466 1348935310 /nfs/dbraw/zinc/93/53/10/1348935310.db2.gz ZLBPTNNRJNODAH-UHFFFAOYSA-N -1 3 325.351 2.102 20 30 EEEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cc(N)ccc1F ZINC001588777466 1348935315 /nfs/dbraw/zinc/93/53/15/1348935315.db2.gz ZLBPTNNRJNODAH-UHFFFAOYSA-N -1 3 325.351 2.102 20 30 EEEDHM C[C@@H](C#N)CN(C)C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC001588931264 1348949090 /nfs/dbraw/zinc/94/90/90/1348949090.db2.gz WCAXFMYBUCGZFT-ZETCQYMHSA-N -1 3 339.186 2.405 20 30 EEEDHM C[C@@H](C#N)CN(C)C(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC001588931264 1348949094 /nfs/dbraw/zinc/94/90/94/1348949094.db2.gz WCAXFMYBUCGZFT-ZETCQYMHSA-N -1 3 339.186 2.405 20 30 EEEDHM CC(C)[C@H](NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001589468266 1348991899 /nfs/dbraw/zinc/99/18/99/1348991899.db2.gz XUIYISYRZXCYGC-HOTGVXAUSA-N -1 3 338.415 2.100 20 30 EEEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001590022534 1349113230 /nfs/dbraw/zinc/11/32/30/1349113230.db2.gz DSPYLODGCPPOKZ-NSHDSACASA-N -1 3 334.339 2.144 20 30 EEEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001590022534 1349113235 /nfs/dbraw/zinc/11/32/35/1349113235.db2.gz DSPYLODGCPPOKZ-NSHDSACASA-N -1 3 334.339 2.144 20 30 EEEDHM CC1(C)CCCN(C(=O)c2ccc(-c3nnn[n-]3)cc2F)[C@H]1C#N ZINC001590095790 1349152761 /nfs/dbraw/zinc/15/27/61/1349152761.db2.gz AQYIZYCIHVFQOD-ZDUSSCGKSA-N -1 3 328.351 2.160 20 30 EEEDHM CC1(C)CCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2F)[C@H]1C#N ZINC001590095790 1349152764 /nfs/dbraw/zinc/15/27/64/1349152764.db2.gz AQYIZYCIHVFQOD-ZDUSSCGKSA-N -1 3 328.351 2.160 20 30 EEEDHM COc1cc(C=NN[C@H]2CC(C)(C)OC2(C)C)ccc1-c1nnn[n-]1 ZINC001591522095 1349496870 /nfs/dbraw/zinc/49/68/70/1349496870.db2.gz AETFJCINWIOHOX-AWEZNQCLSA-N -1 3 344.419 2.145 20 30 EEEDHM COc1cc(C=NN[C@H]2CC(C)(C)OC2(C)C)ccc1-c1nn[n-]n1 ZINC001591522095 1349496873 /nfs/dbraw/zinc/49/68/73/1349496873.db2.gz AETFJCINWIOHOX-AWEZNQCLSA-N -1 3 344.419 2.145 20 30 EEEDHM COc1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)ccc1OCC#N ZINC001591522793 1349496887 /nfs/dbraw/zinc/49/68/87/1349496887.db2.gz MKLMNDXKXVUSRU-UHFFFAOYSA-N -1 3 349.354 2.224 20 30 EEEDHM COc1cc(OC)c2ncc(-c3nnn[n-]3)c(NC[C@H](C)C#N)c2c1 ZINC001591550384 1349503810 /nfs/dbraw/zinc/50/38/10/1349503810.db2.gz ARBBANOHHBNKFV-SECBINFHSA-N -1 3 339.359 2.004 20 30 EEEDHM COc1cc(OC)c2ncc(-c3nn[n-]n3)c(NC[C@H](C)C#N)c2c1 ZINC001591550384 1349503817 /nfs/dbraw/zinc/50/38/17/1349503817.db2.gz ARBBANOHHBNKFV-SECBINFHSA-N -1 3 339.359 2.004 20 30 EEEDHM COc1cc(OC(=O)c2ccc(C#N)cc2F)ccc1-c1nnn[n-]1 ZINC001591548700 1349504186 /nfs/dbraw/zinc/50/41/86/1349504186.db2.gz WHFOTANTIQYYQS-UHFFFAOYSA-N -1 3 339.286 2.105 20 30 EEEDHM COc1cc(OC(=O)c2ccc(C#N)cc2F)ccc1-c1nn[n-]n1 ZINC001591548700 1349504195 /nfs/dbraw/zinc/50/41/95/1349504195.db2.gz WHFOTANTIQYYQS-UHFFFAOYSA-N -1 3 339.286 2.105 20 30 EEEDHM Clc1cccc(N=NC2CCCc3cc(-c4nnn[n-]4)cnc32)n1 ZINC001592534935 1349650350 /nfs/dbraw/zinc/65/03/50/1349650350.db2.gz HMDJISNMRXWSAO-UHFFFAOYSA-N -1 3 340.778 2.463 20 30 EEEDHM Clc1cccc(N=NC2CCCc3cc(-c4nn[n-]n4)cnc32)n1 ZINC001592534935 1349650351 /nfs/dbraw/zinc/65/03/51/1349650351.db2.gz HMDJISNMRXWSAO-UHFFFAOYSA-N -1 3 340.778 2.463 20 30 EEEDHM FC(F)(F)c1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)[nH]1 ZINC001592619906 1349675068 /nfs/dbraw/zinc/67/50/68/1349675068.db2.gz LNMLSPGOVOZKAR-UHFFFAOYSA-N -1 3 335.293 2.337 20 30 EEEDHM FC(F)(F)c1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)[nH]1 ZINC001592619906 1349675070 /nfs/dbraw/zinc/67/50/70/1349675070.db2.gz LNMLSPGOVOZKAR-UHFFFAOYSA-N -1 3 335.293 2.337 20 30 EEEDHM Oc1ccc(C=N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)c(O)c1O ZINC001593540568 1349837518 /nfs/dbraw/zinc/83/75/18/1349837518.db2.gz JQDDKIHKHAQFPB-NACCWKTGSA-N -1 3 337.339 2.090 20 30 EEEDHM c1cc(-c2nnn[n-]2)ccc1CNN=C1CCOC2(CCCC2)C1 ZINC001593549578 1349843703 /nfs/dbraw/zinc/84/37/03/1349843703.db2.gz 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ZINC001602689941 1350573219 /nfs/dbraw/zinc/57/32/19/1350573219.db2.gz XCLLMYKLVHTCGT-VIFPVBQESA-N -1 3 348.204 2.161 20 30 EEEDHM C#C[C@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2C)C1 ZINC001602696202 1350574938 /nfs/dbraw/zinc/57/49/38/1350574938.db2.gz FKWFUZPSMNPEAR-NSHDSACASA-N -1 3 328.351 2.191 20 30 EEEDHM C#C[C@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2C)C1 ZINC001602696202 1350574940 /nfs/dbraw/zinc/57/49/40/1350574940.db2.gz FKWFUZPSMNPEAR-NSHDSACASA-N -1 3 328.351 2.191 20 30 EEEDHM C#C[C@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OCC)C1 ZINC001602697239 1350575215 /nfs/dbraw/zinc/57/52/15/1350575215.db2.gz SZALBOHFOQHKGY-LBPRGKRZSA-N -1 3 340.387 2.143 20 30 EEEDHM C#C[C@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OCC)C1 ZINC001602697239 1350575216 /nfs/dbraw/zinc/57/52/16/1350575216.db2.gz SZALBOHFOQHKGY-LBPRGKRZSA-N -1 3 340.387 2.143 20 30 EEEDHM C=C(C)[C@@H](Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)OCC ZINC001602753277 1350581070 /nfs/dbraw/zinc/58/10/70/1350581070.db2.gz NJKFEEUMKNPCPH-CYBMUJFWSA-N -1 3 326.360 2.440 20 30 EEEDHM C=C(C)[C@@H](Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)OCC ZINC001602753277 1350581074 /nfs/dbraw/zinc/58/10/74/1350581074.db2.gz NJKFEEUMKNPCPH-CYBMUJFWSA-N -1 3 326.360 2.440 20 30 EEEDHM C=C(C)CCC(=O)N[C@H](C)C[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001602756404 1350582158 /nfs/dbraw/zinc/58/21/58/1350582158.db2.gz MYQUCYZGKHTPHO-OLZOCXBDSA-N -1 3 343.435 2.313 20 30 EEEDHM C=C(C)CCC(=O)N[C@H](C)C[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001602756404 1350582160 /nfs/dbraw/zinc/58/21/60/1350582160.db2.gz MYQUCYZGKHTPHO-OLZOCXBDSA-N -1 3 343.435 2.313 20 30 EEEDHM C=C(C)CCC(=O)N[C@@H](C)CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001602759988 1350583023 /nfs/dbraw/zinc/58/30/23/1350583023.db2.gz VORYYASJCHHRNT-LBPRGKRZSA-N -1 3 346.410 2.303 20 30 EEEDHM C=C(C)CCC(=O)N[C@@H](C)CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001602759988 1350583025 /nfs/dbraw/zinc/58/30/25/1350583025.db2.gz VORYYASJCHHRNT-LBPRGKRZSA-N -1 3 346.410 2.303 20 30 EEEDHM C=CCC(C)(C)C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nc1 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/nfs/dbraw/zinc/01/27/61/1351012761.db2.gz WHKXFSXTEVRKRM-UHFFFAOYSA-N -1 3 348.366 2.146 20 30 EEEDHM CN(Cc1ccc2c(c1)OCCO2)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001604810768 1351012765 /nfs/dbraw/zinc/01/27/65/1351012765.db2.gz WHKXFSXTEVRKRM-UHFFFAOYSA-N -1 3 348.366 2.146 20 30 EEEDHM COc1cc(C#N)ccc1OCc1ccc(-c2nnn[n-]2)cc1F ZINC001605191432 1351099368 /nfs/dbraw/zinc/09/93/68/1351099368.db2.gz UEZGWQCXVGQXNS-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM COc1cc(C#N)ccc1OCc1ccc(-c2nn[n-]n2)cc1F ZINC001605191432 1351099371 /nfs/dbraw/zinc/09/93/71/1351099371.db2.gz UEZGWQCXVGQXNS-UHFFFAOYSA-N -1 3 325.303 2.465 20 30 EEEDHM COc1cc(OCCCC2(C#N)CCOCC2)ccc1-c1nnn[n-]1 ZINC001605239462 1351113619 /nfs/dbraw/zinc/11/36/19/1351113619.db2.gz ZLNRFZNTIYMHGI-UHFFFAOYSA-N -1 3 343.387 2.355 20 30 EEEDHM COc1cc(OCCCC2(C#N)CCOCC2)ccc1-c1nn[n-]n1 ZINC001605239462 1351113621 /nfs/dbraw/zinc/11/36/21/1351113621.db2.gz ZLNRFZNTIYMHGI-UHFFFAOYSA-N -1 3 343.387 2.355 20 30 EEEDHM 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EEEDHM O=C1C(=Cc2ccc3c(c2)OCCO3)Cc2ccc(-c3nn[n-]n3)cc21 ZINC001593379266 1349794660 /nfs/dbraw/zinc/79/46/60/1349794660.db2.gz CBSJZFPWOLQSSN-VGOFMYFVSA-N -1 3 346.346 2.460 20 30 EEEDHM C#C[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC001602688708 1350573515 /nfs/dbraw/zinc/57/35/15/1350573515.db2.gz LCCDWQVAMMWYOK-CYBMUJFWSA-N -1 3 338.758 2.019 20 30 EEEDHM C#C[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC001602688708 1350573519 /nfs/dbraw/zinc/57/35/19/1350573519.db2.gz LCCDWQVAMMWYOK-CYBMUJFWSA-N -1 3 338.758 2.019 20 30 EEEDHM C#CC[C@@H]1CCCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001602699124 1350574783 /nfs/dbraw/zinc/57/47/83/1350574783.db2.gz DGXVMCZPSBYYJB-LLVKDONJSA-N -1 3 328.351 2.273 20 30 EEEDHM C#CC[C@@H]1CCCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001602699124 1350574785 /nfs/dbraw/zinc/57/47/85/1350574785.db2.gz DGXVMCZPSBYYJB-LLVKDONJSA-N -1 3 328.351 2.273 20 30 EEEDHM C=CCC1(NC(=O)c2cc(C)c(-c3nnn[n-]3)c(C)c2)CCOCC1 ZINC001602818175 1350590729 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EEEDHM CC(C)NC(=S)NN=C1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001603342791 1350691844 /nfs/dbraw/zinc/69/18/44/1350691844.db2.gz YKXLFVJOSFXRAP-UHFFFAOYSA-N -1 3 343.460 2.170 20 30 EEEDHM CC(C)NC(=S)NN=C1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001603342791 1350691847 /nfs/dbraw/zinc/69/18/47/1350691847.db2.gz YKXLFVJOSFXRAP-UHFFFAOYSA-N -1 3 343.460 2.170 20 30 EEEDHM CCn1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(C2CC2)n1 ZINC001604605133 1350968523 /nfs/dbraw/zinc/96/85/23/1350968523.db2.gz RLKQBVZKXBABQB-UHFFFAOYSA-N -1 3 348.370 2.084 20 30 EEEDHM CCn1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(C2CC2)n1 ZINC001604605133 1350968525 /nfs/dbraw/zinc/96/85/25/1350968525.db2.gz RLKQBVZKXBABQB-UHFFFAOYSA-N -1 3 348.370 2.084 20 30 EEEDHM C[C@H](CNC(=O)OC(C)(C)C)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001605433437 1351157390 /nfs/dbraw/zinc/15/73/90/1351157390.db2.gz HXSYVCRFQFDOPO-SNVBAGLBSA-N -1 3 343.391 2.063 20 30 EEEDHM C[C@H](CNC(=O)OC(C)(C)C)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001605433437 1351157395 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EEEDHM CCc1ccc(C#CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000815517493 1368025653 /nfs/dbraw/zinc/02/56/53/1368025653.db2.gz BZKRVDSUUUMTCG-UHFFFAOYSA-N -1 3 331.379 2.097 20 30 EEEDHM CCc1ccc(C#CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000815517493 1368025656 /nfs/dbraw/zinc/02/56/56/1368025656.db2.gz BZKRVDSUUUMTCG-UHFFFAOYSA-N -1 3 331.379 2.097 20 30 EEEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)c1cccc(OCCO)c1[O-] ZINC001193323090 1368457073 /nfs/dbraw/zinc/45/70/73/1368457073.db2.gz SHADJOVMKDRWBO-UHFFFAOYSA-N -1 3 343.383 2.444 20 30 EEEDHM CC[C@H](C#N)[N-]S(=O)(=O)c1ncccc1OCc1ccccc1 ZINC001201898898 1368855680 /nfs/dbraw/zinc/85/56/80/1368855680.db2.gz LJLJHNVUWDXJHY-CQSZACIVSA-N -1 3 331.397 2.241 20 30 EEEDHM Cc1ncc(CO)c(/C=N/C[C@@H](O)c2cc(F)c(F)c(F)c2)c1[O-] ZINC000852999310 1369314566 /nfs/dbraw/zinc/31/45/66/1369314566.db2.gz ZBAOOPSIOIALFE-QKFJSXEBSA-N -1 3 340.301 2.158 20 30 EEEDHM Cc1nc[n-]c(=O)c1CCC(=O)OCCCOc1ccc(C#N)cc1 ZINC001116044944 1371718515 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COc1cc(OC(=O)c2cc(-c3nn[n-]n3)ccc2C)ccc1C#N ZINC001591547996 1403926574 /nfs/dbraw/zinc/92/65/74/1403926574.db2.gz CUTPXLXLZIJHOS-UHFFFAOYSA-N -1 3 335.323 2.275 20 30 EEEDHM Cc1cc(F)c(C#N)cc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591986069 1403980500 /nfs/dbraw/zinc/98/05/00/1403980500.db2.gz IUTVBEXCZWKFOE-UHFFFAOYSA-N -1 3 336.330 2.367 20 30 EEEDHM Cc1cc(F)c(C#N)cc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591986069 1403980506 /nfs/dbraw/zinc/98/05/06/1403980506.db2.gz IUTVBEXCZWKFOE-UHFFFAOYSA-N -1 3 336.330 2.367 20 30 EEEDHM N#CC[C@H]1CCCN(c2nc(Br)ccc2-c2nnn[n-]2)C1 ZINC001592673310 1404710023 /nfs/dbraw/zinc/71/00/23/1404710023.db2.gz DBBFHSZCIZOTIV-SECBINFHSA-N -1 3 348.208 2.154 20 30 EEEDHM N#CC[C@H]1CCCN(c2nc(Br)ccc2-c2nn[n-]n2)C1 ZINC001592673310 1404710028 /nfs/dbraw/zinc/71/00/28/1404710028.db2.gz DBBFHSZCIZOTIV-SECBINFHSA-N -1 3 348.208 2.154 20 30 EEEDHM N#CCc1cccc(C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001592679959 1404714479 /nfs/dbraw/zinc/71/44/79/1404714479.db2.gz HVXLIMVZHRHTFD-UHFFFAOYSA-N -1 3 349.350 2.169 20 30 EEEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cn2c(n1)CCCC2 ZINC001592791091 1404722074 /nfs/dbraw/zinc/72/20/74/1404722074.db2.gz BRUWLSFNEMDQOQ-ALCCZGGFSA-N -1 3 338.346 2.435 20 30 EEEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cn2c(n1)CCCC2 ZINC001592791091 1404722080 /nfs/dbraw/zinc/72/20/80/1404722080.db2.gz BRUWLSFNEMDQOQ-ALCCZGGFSA-N -1 3 338.346 2.435 20 30 EEEDHM N#C[C@@]1(C(=O)N2CCc3c2cccc3-c2nnn[n-]2)CC2CCC1CC2 ZINC001606340148 1404797553 /nfs/dbraw/zinc/79/75/53/1404797553.db2.gz DGTJKVMVJQMLCP-RMTLACHYSA-N -1 3 348.410 2.476 20 30 EEEDHM N#C[C@@]1(C(=O)N2CCc3c2cccc3-c2nn[n-]n2)CC2CCC1CC2 ZINC001606340148 1404797558 /nfs/dbraw/zinc/79/75/58/1404797558.db2.gz DGTJKVMVJQMLCP-RMTLACHYSA-N -1 3 348.410 2.476 20 30 EEEDHM CN(C(=O)C#CC(C)(C)C)C1CC(NC(=O)c2ccccc2[O-])C1 ZINC001756739493 1409271233 /nfs/dbraw/zinc/27/12/33/1409271233.db2.gz FWDPMCGPRODMIC-UHFFFAOYSA-N -1 3 328.412 2.161 20 30 EEEDHM CC(C)C[C@H](CNc1ccc(C#N)nn1)NC(=O)c1ccccc1[O-] ZINC001104897374 765525017 /nfs/dbraw/zinc/52/50/17/765525017.db2.gz IQPYCHSHQPPDKQ-CQSZACIVSA-N -1 3 339.399 2.310 20 30 EEEDHM C=C1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccccc3[O-])C2)CC1 ZINC000938647616 774304208 /nfs/dbraw/zinc/30/42/08/774304208.db2.gz BFVVIRVHBBIVOB-HNNXBMFYSA-N -1 3 328.412 2.469 20 30 EEEDHM C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001089726887 774769415 /nfs/dbraw/zinc/76/94/15/774769415.db2.gz VPPJTNYJHQCNDY-GFCCVEGCSA-N -1 3 344.415 2.335 20 30 EEEDHM C=C(Cl)CN1CCC[C@H]1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001028007078 776030356 /nfs/dbraw/zinc/03/03/56/776030356.db2.gz DWMCVBPVCLZYGT-ZDUSSCGKSA-N -1 3 345.830 2.475 20 30 EEEDHM C=C(Cl)CN[C@H]1CN(C(=O)c2n[n-]c3ccccc3c2=O)C[C@@H]1C ZINC000939234622 776039447 /nfs/dbraw/zinc/03/94/47/776039447.db2.gz FOZDIXUIIQSPGV-HZMBPMFUSA-N -1 3 346.818 2.138 20 30 EEEDHM C/C(I)=C/C(=O)N([O-])C(=N)c1ccccc1N ZINC001145012278 790818740 /nfs/dbraw/zinc/81/87/40/790818740.db2.gz 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CC(=O)c1csc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000735504409 578156445 /nfs/dbraw/zinc/15/64/45/578156445.db2.gz NCKYCRIYTVQWTF-UHFFFAOYSA-N -1 3 338.352 2.255 20 30 EEEDHM CC(=O)c1csc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000735504409 578156446 /nfs/dbraw/zinc/15/64/46/578156446.db2.gz NCKYCRIYTVQWTF-UHFFFAOYSA-N -1 3 338.352 2.255 20 30 EEEDHM CC(C)[C@H](C#N)N1CCN([C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735690702 578164915 /nfs/dbraw/zinc/16/49/15/578164915.db2.gz MCVQBKRCOLQGKK-PBHICJAKSA-N -1 3 339.447 2.093 20 30 EEEDHM CC(C)[C@H](C#N)N1CCN([C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735690702 578164916 /nfs/dbraw/zinc/16/49/16/578164916.db2.gz MCVQBKRCOLQGKK-PBHICJAKSA-N -1 3 339.447 2.093 20 30 EEEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C#N)cn1 ZINC000735874445 578171268 /nfs/dbraw/zinc/17/12/68/578171268.db2.gz OVAVRGOJGNDSCS-UHFFFAOYSA-N -1 3 347.382 2.184 20 30 EEEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C#N)cn1 ZINC000735874445 578171269 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CN(CC#N)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736778633 578223084 /nfs/dbraw/zinc/22/30/84/578223084.db2.gz DHPMQJGYMPCQNY-UHFFFAOYSA-N -1 3 348.366 2.041 20 30 EEEDHM CN(CC#N)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736778633 578223085 /nfs/dbraw/zinc/22/30/85/578223085.db2.gz DHPMQJGYMPCQNY-UHFFFAOYSA-N -1 3 348.366 2.041 20 30 EEEDHM Cc1cc(C)cc(OCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000737249971 578246083 /nfs/dbraw/zinc/24/60/83/578246083.db2.gz GMFQAFJSDWZVCL-UHFFFAOYSA-N -1 3 348.366 2.373 20 30 EEEDHM Cc1cc(C)cc(OCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000737249971 578246084 /nfs/dbraw/zinc/24/60/84/578246084.db2.gz GMFQAFJSDWZVCL-UHFFFAOYSA-N -1 3 348.366 2.373 20 30 EEEDHM Cc1cccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000737386027 578254143 /nfs/dbraw/zinc/25/41/43/578254143.db2.gz VGDXZXNYCYIVNO-UHFFFAOYSA-N -1 3 349.310 2.207 20 30 EEEDHM Cc1cccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000737386027 578254144 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N#Cc1cccc([C@H](NCc2ccc(Cn3cncn3)cc2)C(=O)[O-])c1 ZINC000833074846 601300025 /nfs/dbraw/zinc/30/00/25/601300025.db2.gz FIRGRNGPMLTIDU-SFHVURJKSA-N -1 3 347.378 2.114 20 30 EEEDHM C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828422422 601512507 /nfs/dbraw/zinc/51/25/07/601512507.db2.gz IPWCWBKNBMCOMX-BREBYQMCSA-N -1 3 335.791 2.191 20 30 EEEDHM Cc1ccc(N(CCC#N)C(=O)CN2CC[C@](C)(C(=O)[O-])C2)cc1C ZINC000832935610 601920139 /nfs/dbraw/zinc/92/01/39/601920139.db2.gz OXPDZYCPLWUYSI-IBGZPJMESA-N -1 3 343.427 2.347 20 30 EEEDHM C[C@@H](CSc1nc(N)c(C#N)cc1-c1nnn[n-]1)C(F)(F)F ZINC000824449882 607655752 /nfs/dbraw/zinc/65/57/52/607655752.db2.gz PWMBOMWZTHKFGN-YFKPBYRVSA-N -1 3 329.311 2.006 20 30 EEEDHM C[C@@H](CSc1nc(N)c(C#N)cc1-c1nn[n-]n1)C(F)(F)F ZINC000824449882 607655753 /nfs/dbraw/zinc/65/57/53/607655753.db2.gz PWMBOMWZTHKFGN-YFKPBYRVSA-N -1 3 329.311 2.006 20 30 EEEDHM CC(C)[C@@H](C#N)OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000820016234 606168733 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ZINC000819742821 608195746 /nfs/dbraw/zinc/19/57/46/608195746.db2.gz AFCPMOJLCSTHEP-QGZVFWFLSA-N -1 3 349.394 2.115 20 30 EEEDHM N#Cc1cccc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000826387312 608442262 /nfs/dbraw/zinc/44/22/62/608442262.db2.gz OYYFJEJTMBONIT-UHFFFAOYSA-N -1 3 329.367 2.427 20 30 EEEDHM N#Cc1cccc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826387312 608442263 /nfs/dbraw/zinc/44/22/63/608442263.db2.gz OYYFJEJTMBONIT-UHFFFAOYSA-N -1 3 329.367 2.427 20 30 EEEDHM O=[N+]([O-])c1ccccc1C=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826500014 608538029 /nfs/dbraw/zinc/53/80/29/608538029.db2.gz IAFDXZJUBITBQR-UHFFFAOYSA-N -1 3 344.722 2.269 20 30 EEEDHM COCc1ccsc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000826165244 609464657 /nfs/dbraw/zinc/46/46/57/609464657.db2.gz LVBJTPHDZQWIDK-UHFFFAOYSA-N -1 3 340.368 2.199 20 30 EEEDHM COCc1ccsc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000826165244 609464659 /nfs/dbraw/zinc/46/46/59/609464659.db2.gz LVBJTPHDZQWIDK-UHFFFAOYSA-N -1 3 340.368 2.199 20 30 EEEDHM C=C(C)CN(C)C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000823872722 609612398 /nfs/dbraw/zinc/61/23/98/609612398.db2.gz CWAOIPFJEKGOCB-UHFFFAOYSA-N -1 3 337.387 2.009 20 30 EEEDHM C=C(C)CN(C)C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000823872722 609612399 /nfs/dbraw/zinc/61/23/99/609612399.db2.gz CWAOIPFJEKGOCB-UHFFFAOYSA-N -1 3 337.387 2.009 20 30 EEEDHM CC(C)(C)C#CC(=O)NCC[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059187196 683133591 /nfs/dbraw/zinc/13/35/91/683133591.db2.gz ABEYZDILBHPHOC-OAHLLOKOSA-N -1 3 342.439 2.410 20 30 EEEDHM CC(C)(C#N)CS(=O)(=O)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000914171874 683323053 /nfs/dbraw/zinc/32/30/53/683323053.db2.gz QPISUPBRGATYNK-UHFFFAOYSA-N -1 3 327.353 2.131 20 30 EEEDHM C=C1CC(C)(C(=O)N2C[C@H]3CCN(C(=O)c4ccccc4[O-])C[C@H]32)C1 ZINC000975059287 686089348 /nfs/dbraw/zinc/08/93/48/686089348.db2.gz HVZHVZJSPRJWMQ-GDBMZVCRSA-N -1 3 340.423 2.421 20 30 EEEDHM C=C1CC(C)(C(=O)N2CC[C@H]2CN(C)C(=O)c2ccccc2[O-])C1 ZINC000977410782 692593715 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UCCUJXLOKGDFNU-VXGBXAGGSA-N -1 3 343.435 2.169 20 30 EEEDHM C=CC(C)(C)CC(=O)N(C)CCNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588481327 1348908356 /nfs/dbraw/zinc/90/83/56/1348908356.db2.gz JSAFCZJERCWBKF-UHFFFAOYSA-N -1 3 343.435 2.043 20 30 EEEDHM C=CC(C)(C)CC(=O)N(C)CCNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588481327 1348908358 /nfs/dbraw/zinc/90/83/58/1348908358.db2.gz JSAFCZJERCWBKF-UHFFFAOYSA-N -1 3 343.435 2.043 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)N(C)CCCNc1ncccc1-c1nnn[n-]1 ZINC001588492975 1348908978 /nfs/dbraw/zinc/90/89/78/1348908978.db2.gz YFDJOJDMDNQFRN-KRWDZBQOSA-N -1 3 343.435 2.124 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)N(C)CCCNc1ncccc1-c1nn[n-]n1 ZINC001588492975 1348908982 /nfs/dbraw/zinc/90/89/82/1348908982.db2.gz YFDJOJDMDNQFRN-KRWDZBQOSA-N -1 3 343.435 2.124 20 30 EEEDHM C=C[C@](C)(CC)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588489201 1348909443 /nfs/dbraw/zinc/90/94/43/1348909443.db2.gz XUXNDQDOKMIOPE-SJKOYZFVSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@](C)(CC)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588489201 1348909446 /nfs/dbraw/zinc/90/94/46/1348909446.db2.gz XUXNDQDOKMIOPE-SJKOYZFVSA-N -1 3 343.435 2.123 20 30 EEEDHM C=CC[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)c(OC)c2)C1 ZINC001588560327 1348916734 /nfs/dbraw/zinc/91/67/34/1348916734.db2.gz PGQLNBZJJQRIEW-GFCCVEGCSA-N -1 3 327.388 2.304 20 30 EEEDHM C=CC[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)c(OC)c2)C1 ZINC001588560327 1348916735 /nfs/dbraw/zinc/91/67/35/1348916735.db2.gz PGQLNBZJJQRIEW-GFCCVEGCSA-N -1 3 327.388 2.304 20 30 EEEDHM C=CCCC1(CNC(=O)c2ccc(-c3nnn[n-]3)n2C)CCCC1 ZINC001588578840 1348920071 /nfs/dbraw/zinc/92/00/71/1348920071.db2.gz GXOOQPXKUZQEOD-UHFFFAOYSA-N -1 3 328.420 2.462 20 30 EEEDHM C=CCCC1(CNC(=O)c2ccc(-c3nn[n-]n3)n2C)CCCC1 ZINC001588578840 1348920073 /nfs/dbraw/zinc/92/00/73/1348920073.db2.gz GXOOQPXKUZQEOD-UHFFFAOYSA-N -1 3 328.420 2.462 20 30 EEEDHM C=CCCCNC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC001588600748 1348922711 /nfs/dbraw/zinc/92/27/11/1348922711.db2.gz OKGAUJWATBGNFC-UHFFFAOYSA-N -1 3 346.460 2.365 20 30 EEEDHM C=CCCCNC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC001588600748 1348922714 /nfs/dbraw/zinc/92/27/14/1348922714.db2.gz OKGAUJWATBGNFC-UHFFFAOYSA-N -1 3 346.460 2.365 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@@H]1CCCO1 ZINC001588648864 1348926884 /nfs/dbraw/zinc/92/68/84/1348926884.db2.gz CARDFPZWXFFMHD-HNNXBMFYSA-N -1 3 343.387 2.170 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@@H]1CCCO1 ZINC001588648864 1348926888 /nfs/dbraw/zinc/92/68/88/1348926888.db2.gz CARDFPZWXFFMHD-HNNXBMFYSA-N -1 3 343.387 2.170 20 30 EEEDHM C=CCNc1nc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)cs1 ZINC001588662915 1348927959 /nfs/dbraw/zinc/92/79/59/1348927959.db2.gz CXKSEHAWRGNMBV-UHFFFAOYSA-N -1 3 342.384 2.278 20 30 EEEDHM C=CCNc1nc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)cs1 ZINC001588662915 1348927963 /nfs/dbraw/zinc/92/79/63/1348927963.db2.gz CXKSEHAWRGNMBV-UHFFFAOYSA-N -1 3 342.384 2.278 20 30 EEEDHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1cccc(CC#N)c1 ZINC001588893788 1348942901 /nfs/dbraw/zinc/94/29/01/1348942901.db2.gz PODBPVRDOJUYJM-UHFFFAOYSA-N -1 3 346.350 2.388 20 30 EEEDHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1cccc(CC#N)c1 ZINC001588893788 1348942905 /nfs/dbraw/zinc/94/29/05/1348942905.db2.gz PODBPVRDOJUYJM-UHFFFAOYSA-N -1 3 346.350 2.388 20 30 EEEDHM CC(C)Oc1ccc(NC(=O)NCCCC#N)cc1-c1nnn[n-]1 ZINC001589756801 1349030947 /nfs/dbraw/zinc/03/09/47/1349030947.db2.gz SVDBAGDLVFOZBU-UHFFFAOYSA-N -1 3 329.364 2.079 20 30 EEEDHM CC(C)Oc1ccc(NC(=O)NCCCC#N)cc1-c1nn[n-]n1 ZINC001589756801 1349030949 /nfs/dbraw/zinc/03/09/49/1349030949.db2.gz SVDBAGDLVFOZBU-UHFFFAOYSA-N -1 3 329.364 2.079 20 30 EEEDHM C[C@@H](CC#N)C(=O)OCc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001589785923 1349041928 /nfs/dbraw/zinc/04/19/28/1349041928.db2.gz AMCJGBVMEFNXJE-QMMMGPOBSA-N -1 3 339.277 2.478 20 30 EEEDHM C[C@@H](CC#N)C(=O)OCc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001589785923 1349041931 /nfs/dbraw/zinc/04/19/31/1349041931.db2.gz AMCJGBVMEFNXJE-QMMMGPOBSA-N -1 3 339.277 2.478 20 30 EEEDHM CC1(C#N)CN(c2cc(Br)c(-c3nnn[n-]3)cc2F)C1 ZINC001590056657 1349135620 /nfs/dbraw/zinc/13/56/20/1349135620.db2.gz PFOCESRKFMCARO-UHFFFAOYSA-N -1 3 337.156 2.118 20 30 EEEDHM CC1(C#N)CN(c2cc(Br)c(-c3nn[n-]n3)cc2F)C1 ZINC001590056657 1349135626 /nfs/dbraw/zinc/13/56/26/1349135626.db2.gz PFOCESRKFMCARO-UHFFFAOYSA-N -1 3 337.156 2.118 20 30 EEEDHM COc1cc(C=C2c3ccc(C#N)cc3NC2=O)ccc1-c1nnn[n-]1 ZINC001591523153 1349497247 /nfs/dbraw/zinc/49/72/47/1349497247.db2.gz RYKUSYZHBIPNSF-NSIKDUERSA-N -1 3 344.334 2.240 20 30 EEEDHM COc1cc(C=C2c3ccc(C#N)cc3NC2=O)ccc1-c1nn[n-]n1 ZINC001591523153 1349497251 /nfs/dbraw/zinc/49/72/51/1349497251.db2.gz RYKUSYZHBIPNSF-NSIKDUERSA-N -1 3 344.334 2.240 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)ccc1N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC001591868475 1349553046 /nfs/dbraw/zinc/55/30/46/1349553046.db2.gz JGHWXKJOOBFIOP-HNNXBMFYSA-N -1 3 347.382 2.100 20 30 EEEDHM N#Cc1ccc(NC(=O)C[C@@H]2CC[C@@H](C3CC3)O2)cc1-c1nnn[n-]1 ZINC001592695315 1349707327 /nfs/dbraw/zinc/70/73/27/1349707327.db2.gz MLQHIMWGGBACPT-ZFWWWQNUSA-N -1 3 338.371 2.025 20 30 EEEDHM N#Cc1ccc(NC(=O)C[C@@H]2CC[C@@H](C3CC3)O2)cc1-c1nn[n-]n1 ZINC001592695315 1349707329 /nfs/dbraw/zinc/70/73/29/1349707329.db2.gz MLQHIMWGGBACPT-ZFWWWQNUSA-N -1 3 338.371 2.025 20 30 EEEDHM C#C[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)C(C)C ZINC001602689464 1350573934 /nfs/dbraw/zinc/57/39/34/1350573934.db2.gz RJEZTNHFYCTMNH-MRXNPFEDSA-N -1 3 340.431 2.445 20 30 EEEDHM C#C[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)C(C)C ZINC001602689464 1350573935 /nfs/dbraw/zinc/57/39/35/1350573935.db2.gz RJEZTNHFYCTMNH-MRXNPFEDSA-N -1 3 340.431 2.445 20 30 EEEDHM C#CCC1(NC(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)CCC1 ZINC001602698940 1350574648 /nfs/dbraw/zinc/57/46/48/1350574648.db2.gz AWRVZVYKFJQFOI-UHFFFAOYSA-N -1 3 344.806 2.265 20 30 EEEDHM C#CCC1(NC(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)CCC1 ZINC001602698940 1350574655 /nfs/dbraw/zinc/57/46/55/1350574655.db2.gz AWRVZVYKFJQFOI-UHFFFAOYSA-N -1 3 344.806 2.265 20 30 EEEDHM C#CCC1(C(=O)OCc2ccc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001602700512 1350575578 /nfs/dbraw/zinc/57/55/78/1350575578.db2.gz XNCPAYKTRFHJMB-UHFFFAOYSA-N -1 3 325.372 2.279 20 30 EEEDHM C#CCC1(C(=O)OCc2ccc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001602700512 1350575580 /nfs/dbraw/zinc/57/55/80/1350575580.db2.gz XNCPAYKTRFHJMB-UHFFFAOYSA-N -1 3 325.372 2.279 20 30 EEEDHM C=C[C@@H](C)NC(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001602798681 1350587453 /nfs/dbraw/zinc/58/74/53/1350587453.db2.gz QWHBDJINNVCDDN-SSDOTTSWSA-N -1 3 342.281 2.461 20 30 EEEDHM C=C[C@@H](C)NC(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001602798681 1350587455 /nfs/dbraw/zinc/58/74/55/1350587455.db2.gz QWHBDJINNVCDDN-SSDOTTSWSA-N -1 3 342.281 2.461 20 30 EEEDHM C=CCOc1cccc(NC(=O)c2cc([O-])cc(-c3nn[nH]n3)c2)c1 ZINC001602870435 1350598871 /nfs/dbraw/zinc/59/88/71/1350598871.db2.gz MEEHHBMUGDOSCC-UHFFFAOYSA-N -1 3 337.339 2.389 20 30 EEEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001602989454 1350619359 /nfs/dbraw/zinc/61/93/59/1350619359.db2.gz RGYRVTMRTTTWCJ-VIFPVBQESA-N -1 3 340.368 2.471 20 30 EEEDHM C[C@@H](CN=Nc1ccc(-c2nnn[n-]2)cc1)CNC(=O)OC(C)(C)C ZINC001603436350 1350705040 /nfs/dbraw/zinc/70/50/40/1350705040.db2.gz KGWQJWNZZPZHCN-LLVKDONJSA-N -1 3 345.407 2.425 20 30 EEEDHM C[C@@H](CN=Nc1ccc(-c2nn[n-]n2)cc1)CNC(=O)OC(C)(C)C ZINC001603436350 1350705044 /nfs/dbraw/zinc/70/50/44/1350705044.db2.gz KGWQJWNZZPZHCN-LLVKDONJSA-N -1 3 345.407 2.425 20 30 EEEDHM CC1(C)CN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1(C)C ZINC001603779893 1350765361 /nfs/dbraw/zinc/76/53/61/1350765361.db2.gz ZOHDUGNLDOQHDO-AWEZNQCLSA-N -1 3 338.415 2.196 20 30 EEEDHM CN(C[C@](C)(O)c1ccccc1)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001604714668 1350990210 /nfs/dbraw/zinc/99/02/10/1350990210.db2.gz LFMKDLZPDYDZSX-SFHVURJKSA-N -1 3 334.383 2.082 20 30 EEEDHM CN(C[C@](C)(O)c1ccccc1)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001604714668 1350990213 /nfs/dbraw/zinc/99/02/13/1350990213.db2.gz LFMKDLZPDYDZSX-SFHVURJKSA-N -1 3 334.383 2.082 20 30 EEEDHM COC(=O)c1ccccc1NN=C(C)c1cccc(-c2nn[n-]n2)c1 ZINC001604986743 1351046287 /nfs/dbraw/zinc/04/62/87/1351046287.db2.gz CCTXRVRTRMHBJP-UHFFFAOYSA-N -1 3 336.355 2.489 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1NC(=O)C=Cc1ccccc1C#N ZINC001605169403 1351094231 /nfs/dbraw/zinc/09/42/31/1351094231.db2.gz GFVBSQHCLCAVFJ-CLFYSBASSA-N -1 3 346.350 2.399 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1NC(=O)C=Cc1ccccc1C#N ZINC001605169403 1351094233 /nfs/dbraw/zinc/09/42/33/1351094233.db2.gz GFVBSQHCLCAVFJ-CLFYSBASSA-N -1 3 346.350 2.399 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1sccc1CC#N ZINC001605177154 1351096655 /nfs/dbraw/zinc/09/66/55/1351096655.db2.gz DWQSMQAYWAXRRQ-UHFFFAOYSA-N -1 3 341.352 2.222 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1sccc1CC#N ZINC001605177154 1351096657 /nfs/dbraw/zinc/09/66/57/1351096657.db2.gz DWQSMQAYWAXRRQ-UHFFFAOYSA-N -1 3 341.352 2.222 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1csc(C#N)c1 ZINC001605177557 1351097110 /nfs/dbraw/zinc/09/71/10/1351097110.db2.gz KPYFSKGNMONNCW-UHFFFAOYSA-N -1 3 327.325 2.028 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1csc(C#N)c1 ZINC001605177557 1351097111 /nfs/dbraw/zinc/09/71/11/1351097111.db2.gz KPYFSKGNMONNCW-UHFFFAOYSA-N -1 3 327.325 2.028 20 30 EEEDHM Cc1cc(NC(=O)N(C)[C@@H](C)CC#N)c(-c2nnn[n-]2)cc1N(C)C ZINC001605707710 1351216538 /nfs/dbraw/zinc/21/65/38/1351216538.db2.gz CDRAXRCSNASNOJ-NSHDSACASA-N -1 3 342.407 2.007 20 30 EEEDHM Cc1cc(NC(=O)N(C)[C@@H](C)CC#N)c(-c2nn[n-]n2)cc1N(C)C ZINC001605707710 1351216541 /nfs/dbraw/zinc/21/65/41/1351216541.db2.gz CDRAXRCSNASNOJ-NSHDSACASA-N -1 3 342.407 2.007 20 30 EEEDHM Cc1ncccc1C=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001606094422 1351269898 /nfs/dbraw/zinc/26/98/98/1351269898.db2.gz NPTRXZQXGNAIIL-ALCCZGGFSA-N -1 3 331.339 2.094 20 30 EEEDHM Cc1ncccc1C=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001606094422 1351269900 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C#CCOc1ccc(NC(=O)c2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001573289544 946886610 /nfs/dbraw/zinc/88/66/10/946886610.db2.gz NROFCQRDACLTQP-UHFFFAOYSA-N -1 3 337.314 2.270 20 30 EEEDHM C#CCOc1ccc(NC(=O)c2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001573289544 946886622 /nfs/dbraw/zinc/88/66/22/946886622.db2.gz NROFCQRDACLTQP-UHFFFAOYSA-N -1 3 337.314 2.270 20 30 EEEDHM C=C(Br)CNC(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001573291349 946917329 /nfs/dbraw/zinc/91/73/29/946917329.db2.gz BGDKDFKEQVJQAD-UHFFFAOYSA-N -1 3 336.193 2.122 20 30 EEEDHM C=C(Br)CNC(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001573291349 946917338 /nfs/dbraw/zinc/91/73/38/946917338.db2.gz BGDKDFKEQVJQAD-UHFFFAOYSA-N -1 3 336.193 2.122 20 30 EEEDHM C=CCCC(=O)NC[C@H]1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573328392 947407631 /nfs/dbraw/zinc/40/76/31/947407631.db2.gz VPPJSNGJMRQTMA-TXEJJXNPSA-N -1 3 344.394 2.279 20 30 EEEDHM C=CCCC(=O)NC[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573328392 947407636 /nfs/dbraw/zinc/40/76/36/947407636.db2.gz VPPJSNGJMRQTMA-TXEJJXNPSA-N -1 3 344.394 2.279 20 30 EEEDHM COc1cc2c(cc1O)CCN(c1c(C#N)cccc1-c1nnn[n-]1)C2 ZINC001570950277 949680721 /nfs/dbraw/zinc/68/07/21/949680721.db2.gz YYHYIVZEPBKHOQ-UHFFFAOYSA-N -1 3 348.366 2.015 20 30 EEEDHM COc1cc2c(cc1O)CCN(c1c(C#N)cccc1-c1nn[n-]n1)C2 ZINC001570950277 949680730 /nfs/dbraw/zinc/68/07/30/949680730.db2.gz YYHYIVZEPBKHOQ-UHFFFAOYSA-N -1 3 348.366 2.015 20 30 EEEDHM C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001589280586 953504079 /nfs/dbraw/zinc/50/40/79/953504079.db2.gz ZZRKYPHDFVVWBL-OWCLPIDISA-N -1 3 343.427 2.364 20 30 EEEDHM C=C(C)CN1CCC(NC(=O)N2CCC[C@](CC)(C(=O)[O-])C2)CC1 ZINC001335461199 957814571 /nfs/dbraw/zinc/81/45/71/957814571.db2.gz UAPYHZALQYOQDZ-SFHVURJKSA-N -1 3 337.464 2.313 20 30 EEEDHM C=CCCn1cc(CNC[C@@](CC)(C(=O)[O-])c2ccccc2)nn1 ZINC000901898200 980610377 /nfs/dbraw/zinc/61/03/77/980610377.db2.gz JEOXCWDIWVCFNB-GOSISDBHSA-N -1 3 328.416 2.376 20 30 EEEDHM C=CCC[C@H](C(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001588776699 984152420 /nfs/dbraw/zinc/15/24/20/984152420.db2.gz BSILRZMDWGMWBS-SJORKVTESA-N -1 3 330.428 2.211 20 30 EEEDHM C=CCC[C@@H](C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001588776696 984152664 /nfs/dbraw/zinc/15/26/64/984152664.db2.gz BSILRZMDWGMWBS-DLBZAZTESA-N -1 3 330.428 2.211 20 30 EEEDHM O=C(C=Cc1ccc(F)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001440747140 1093994323 /nfs/dbraw/zinc/99/43/23/1093994323.db2.gz KIJLNKGYTXCEBM-TWGQIWQCSA-N -1 3 337.314 2.227 20 30 EEEDHM O=C(C=Cc1ccc(F)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001440747140 1093994328 /nfs/dbraw/zinc/99/43/28/1093994328.db2.gz KIJLNKGYTXCEBM-TWGQIWQCSA-N -1 3 337.314 2.227 20 30 EEEDHM C[C@H](CN(C)C(=O)c1ncccc1[O-])NCc1cc(C#N)ccc1F ZINC001507067359 1115090891 /nfs/dbraw/zinc/09/08/91/1115090891.db2.gz AOZAHHYQJIOZHI-GFCCVEGCSA-N -1 3 342.374 2.048 20 30 EEEDHM C=C(CC)C(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1 ZINC001528363573 1120998624 /nfs/dbraw/zinc/99/86/24/1120998624.db2.gz NNYAZTSIZLSNFQ-UHFFFAOYSA-N -1 3 328.372 2.231 20 30 EEEDHM C=C(CC)C(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1 ZINC001528363573 1120998627 /nfs/dbraw/zinc/99/86/27/1120998627.db2.gz NNYAZTSIZLSNFQ-UHFFFAOYSA-N -1 3 328.372 2.231 20 30 EEEDHM CCn1cc(C(=O)C(=O)Nc2n[n-]c(-c3ccccc3F)n2)cn1 ZINC000089487053 237020312 /nfs/dbraw/zinc/02/03/12/237020312.db2.gz CXOMFGGRPPOTAP-UHFFFAOYSA-N -1 3 328.307 2.298 20 30 EEEDHM N#CCOc1ccc(C=CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000104365439 237085741 /nfs/dbraw/zinc/08/57/41/237085741.db2.gz SYMKIWXLEWGIDP-XCVCLJGOSA-N -1 3 346.350 2.421 20 30 EEEDHM N#CCOc1ccc(C=CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000104365439 237085746 /nfs/dbraw/zinc/08/57/46/237085746.db2.gz SYMKIWXLEWGIDP-XCVCLJGOSA-N -1 3 346.350 2.421 20 30 EEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000116802242 237190189 /nfs/dbraw/zinc/19/01/89/237190189.db2.gz KVOTZFRGCBKZSR-CWTRNNRKSA-N -1 3 340.427 2.385 20 30 EEEDHM N#C[C@@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccccc1Cl ZINC000426858298 241350274 /nfs/dbraw/zinc/35/02/74/241350274.db2.gz SRJQNMSEONAFFL-OAHLLOKOSA-N -1 3 343.770 2.156 20 30 EEEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000266224919 248186730 /nfs/dbraw/zinc/18/67/30/248186730.db2.gz SSSXMGMHGBCZIQ-GXSJLCMTSA-N -1 3 348.346 2.280 20 30 EEEDHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccccc2C#N)n[nH]1 ZINC000276990699 256486635 /nfs/dbraw/zinc/48/66/35/256486635.db2.gz SMUSXGCZLDPHBB-WDEREUQCSA-N -1 3 333.417 2.229 20 30 EEEDHM CO[C@@H]1CCC[C@H]1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000341604964 161000718 /nfs/dbraw/zinc/00/07/18/161000718.db2.gz OBLIDVOXNDEMDS-XJKSGUPXSA-N -1 3 331.416 2.140 20 30 EEEDHM CCN1C[C@H](C)N(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C[C@H]1C ZINC000345934755 161343617 /nfs/dbraw/zinc/34/36/17/161343617.db2.gz AOJOBLPUPPXJNF-OLZOCXBDSA-N -1 3 344.459 2.149 20 30 EEEDHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000351979802 162012566 /nfs/dbraw/zinc/01/25/66/162012566.db2.gz XJFQCSWUEVYAAT-UHFFFAOYSA-N -1 3 337.401 2.293 20 30 EEEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cnn3ccccc23)c(Cl)c1 ZINC000352631451 162219825 /nfs/dbraw/zinc/21/98/25/162219825.db2.gz WQTBKTGEXSHVSP-UHFFFAOYSA-N -1 3 346.799 2.338 20 30 EEEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCN(CC3CCCC3)CC2)o1 ZINC000367754695 166000576 /nfs/dbraw/zinc/00/05/76/166000576.db2.gz XGAPDEHWCMHURE-UHFFFAOYSA-N -1 3 337.445 2.084 20 30 EEEDHM N#Cc1ccc(NC2CC2)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000355622927 163252197 /nfs/dbraw/zinc/25/21/97/163252197.db2.gz CABDLBYHIQMGLQ-UHFFFAOYSA-N -1 3 339.311 2.394 20 30 EEEDHM COC(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000360886637 164396715 /nfs/dbraw/zinc/39/67/15/164396715.db2.gz SDUKJUKNSSFFBZ-UHFFFAOYSA-N -1 3 336.335 2.280 20 30 EEEDHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000122456447 222091654 /nfs/dbraw/zinc/09/16/54/222091654.db2.gz QEXVNZNIMNEMLB-GFCCVEGCSA-N -1 3 335.404 2.335 20 30 EEEDHM Cc1cc(C)nc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000284027348 270017069 /nfs/dbraw/zinc/01/70/69/270017069.db2.gz OODBDISJUZBVMV-UHFFFAOYSA-N -1 3 325.372 2.254 20 30 EEEDHM N#Cc1cccc(C#N)c1N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000302481416 268234793 /nfs/dbraw/zinc/23/47/93/268234793.db2.gz WMXZYFRKYRFUGF-UHFFFAOYSA-N -1 3 332.363 2.098 20 30 EEEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)nc2)s1 ZINC000435433348 268257424 /nfs/dbraw/zinc/25/74/24/268257424.db2.gz ROXUUIQJCCZHJS-UHFFFAOYSA-N -1 3 348.453 2.093 20 30 EEEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000277285849 268329999 /nfs/dbraw/zinc/32/99/99/268329999.db2.gz ZEHCDMAZKSAPHV-GDBMZVCRSA-N -1 3 343.408 2.152 20 30 EEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279359012 269273543 /nfs/dbraw/zinc/27/35/43/269273543.db2.gz ISDPBXUUULCJRB-DIFFPNOSSA-N -1 3 343.427 2.234 20 30 EEEDHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000158777712 311332187 /nfs/dbraw/zinc/33/21/87/311332187.db2.gz JQAZHHQRCAXXQF-VIFPVBQESA-N -1 3 337.376 2.384 20 30 EEEDHM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N[C@H]1CCCN([O-])C1=O ZINC000493154888 315895872 /nfs/dbraw/zinc/89/58/72/315895872.db2.gz OUQUMAFHEGLJTO-KGJDTDPESA-N -1 3 332.400 2.374 20 30 EEEDHM CC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000495627515 316026770 /nfs/dbraw/zinc/02/67/70/316026770.db2.gz WNOTZRCWLONDOF-CYBMUJFWSA-N -1 3 349.387 2.144 20 30 EEEDHM COC(=O)CC1([N-]S(=O)(=O)c2ccc(C#N)s2)CCCCC1 ZINC000577342610 320249661 /nfs/dbraw/zinc/24/96/61/320249661.db2.gz XDBKCUXLDYETTH-UHFFFAOYSA-N -1 3 342.442 2.164 20 30 EEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(C#N)CCSCC1 ZINC000339483900 465300558 /nfs/dbraw/zinc/30/05/58/465300558.db2.gz YCOOEQBQRHTYOG-UHFFFAOYSA-N -1 3 344.440 2.114 20 30 EEEDHM C=CCC[C@H](O)CN1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC000578995814 468292762 /nfs/dbraw/zinc/29/27/62/468292762.db2.gz WDTAVJYIFRSPBN-HOCLYGCPSA-N -1 3 349.427 2.405 20 30 EEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)Cc1ccco1 ZINC000044913114 462540069 /nfs/dbraw/zinc/54/00/69/462540069.db2.gz FLBAFMGNJAYFBX-LLVKDONJSA-N -1 3 327.384 2.136 20 30 EEEDHM COc1ccccc1-c1nc(NC(=O)CN2CCCCCC2=O)n[n-]1 ZINC000063738564 462667560 /nfs/dbraw/zinc/66/75/60/462667560.db2.gz AYVHMCYOHOQREA-UHFFFAOYSA-N -1 3 343.387 2.471 20 30 EEEDHM C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(C#N)c1 ZINC000075544512 462728784 /nfs/dbraw/zinc/72/87/84/462728784.db2.gz MTURLBMAQCNCJA-SNVBAGLBSA-N -1 3 334.335 2.325 20 30 EEEDHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)c(C)o1 ZINC000161142699 463404509 /nfs/dbraw/zinc/40/45/09/463404509.db2.gz IUOWGAWJUTYGEU-GFCCVEGCSA-N -1 3 340.401 2.125 20 30 EEEDHM Cc1cc(C(C#N)=C([O-])c2cc(S(C)(=O)=O)ccc2C)nc(C)n1 ZINC000041574571 463494528 /nfs/dbraw/zinc/49/45/28/463494528.db2.gz LTPSZGGTKGZXGB-HNNXBMFYSA-N -1 3 343.408 2.295 20 30 EEEDHM Cc1cc(C[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)on1 ZINC000083537791 463548267 /nfs/dbraw/zinc/54/82/67/463548267.db2.gz QQILDKUDTCJSEK-UHFFFAOYSA-N -1 3 345.302 2.352 20 30 EEEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000268455856 463749746 /nfs/dbraw/zinc/74/97/46/463749746.db2.gz SNUWJPLCYOGJJX-JTQLQIEISA-N -1 3 332.223 2.061 20 30 EEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(CC#N)CC1 ZINC000541050015 468376514 /nfs/dbraw/zinc/37/65/14/468376514.db2.gz AISBTAIGQBZLQU-UHFFFAOYSA-N -1 3 326.400 2.361 20 30 EEEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C1CC1 ZINC000277123777 463881360 /nfs/dbraw/zinc/88/13/60/463881360.db2.gz ZNAOWAPBRCYQQB-HNNXBMFYSA-N -1 3 327.409 2.253 20 30 EEEDHM C#C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000277794253 463931657 /nfs/dbraw/zinc/93/16/57/463931657.db2.gz VOXGMKJNJPYPFU-NWDGAFQWSA-N -1 3 343.832 2.055 20 30 EEEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1Cc2ccccc2[C@H]1O ZINC000178713485 463948695 /nfs/dbraw/zinc/94/86/95/463948695.db2.gz HIAYXLAOXLRFJP-GDBMZVCRSA-N -1 3 348.811 2.148 20 30 EEEDHM C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C1CC1 ZINC000283649831 463960790 /nfs/dbraw/zinc/96/07/90/463960790.db2.gz YGVMNXQMEIEOLS-QMMMGPOBSA-N -1 3 329.219 2.398 20 30 EEEDHM Cc1nsc(N2CCN([C@H](C)c3nc(C)cc(=O)[n-]3)CC2)c1C#N ZINC000289468213 464080759 /nfs/dbraw/zinc/08/07/59/464080759.db2.gz MTITVYRPWYQTQE-GFCCVEGCSA-N -1 3 344.444 2.010 20 30 EEEDHM C#C[C@@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)C(C)(C)C ZINC000289998224 464103402 /nfs/dbraw/zinc/10/34/02/464103402.db2.gz WKGUAOPMDJNIEF-LLVKDONJSA-N -1 3 327.402 2.009 20 30 EEEDHM CCC(CC)(CO)C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000227308093 464188047 /nfs/dbraw/zinc/18/80/47/464188047.db2.gz CKFYTHRAQVBRTN-UHFFFAOYSA-N -1 3 330.837 2.289 20 30 EEEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@H]2C2CC2)c1 ZINC000228904986 464193251 /nfs/dbraw/zinc/19/32/51/464193251.db2.gz SZFZPJWSEDPUBZ-OCCSQVGLSA-N -1 3 326.805 2.057 20 30 EEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(Cc2ccccn2)no1 ZINC000264579296 464381000 /nfs/dbraw/zinc/38/10/00/464381000.db2.gz 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ZINC000191017362 464762807 /nfs/dbraw/zinc/76/28/07/464762807.db2.gz NYRBGVGIXHWXDK-UHFFFAOYSA-N -1 3 346.383 2.332 20 30 EEEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(C)nc(=O)[n-]1 ZINC000342459854 465321755 /nfs/dbraw/zinc/32/17/55/465321755.db2.gz KNLOFQCQUCUCTL-UHFFFAOYSA-N -1 3 329.404 2.487 20 30 EEEDHM C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)n[n-]c1=O ZINC000348133176 465444074 /nfs/dbraw/zinc/44/40/74/465444074.db2.gz QUCMBZKCCHAMHF-JTQLQIEISA-N -1 3 329.385 2.161 20 30 EEEDHM C=CCSCC[N-]S(=O)(=O)c1cc(F)cc(C(=O)OCC)c1 ZINC000351984433 465466258 /nfs/dbraw/zinc/46/62/58/465466258.db2.gz MDVVDUGFCIOFEN-UHFFFAOYSA-N -1 3 347.433 2.200 20 30 EEEDHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)CCC(C)(C)C#N)c1F ZINC000569108953 468440928 /nfs/dbraw/zinc/44/09/28/468440928.db2.gz SKNGVFSZRACTPZ-UHFFFAOYSA-N -1 3 346.355 2.433 20 30 EEEDHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1C#N ZINC000330386953 465638079 /nfs/dbraw/zinc/63/80/79/465638079.db2.gz ATBPJIGOHHTNIH-SKDRFNHKSA-N -1 3 342.804 2.097 20 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CC(C)[C@@H](C#N)N1CCN([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735690710 578164829 /nfs/dbraw/zinc/16/48/29/578164829.db2.gz MCVQBKRCOLQGKK-WMLDXEAASA-N -1 3 339.447 2.093 20 30 EEEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C)CC#N ZINC000735963350 578175499 /nfs/dbraw/zinc/17/54/99/578175499.db2.gz DVISUDUBOUUSGD-FZMZJTMJSA-N -1 3 329.360 2.115 20 30 EEEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H](C)CC#N ZINC000735963350 578175500 /nfs/dbraw/zinc/17/55/00/578175500.db2.gz DVISUDUBOUUSGD-FZMZJTMJSA-N -1 3 329.360 2.115 20 30 EEEDHM C[C@H](CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1cccnc1 ZINC000735974836 578176179 /nfs/dbraw/zinc/17/61/79/578176179.db2.gz CMZGPVRRXQRCNY-LLVKDONJSA-N -1 3 333.355 2.266 20 30 EEEDHM C[C@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1cccnc1 ZINC000735974836 578176180 /nfs/dbraw/zinc/17/61/80/578176180.db2.gz CMZGPVRRXQRCNY-LLVKDONJSA-N -1 3 333.355 2.266 20 30 EEEDHM C[C@@H](OC(=O)COc1ccccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000736156389 578184777 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COc1ccccc1C1(C(=O)N[C@@H]2CCCN([O-])C2=O)CCCCC1 ZINC000848131328 1338528694 /nfs/dbraw/zinc/52/86/94/1338528694.db2.gz CNJVSTOHGXPCSZ-OAHLLOKOSA-N -1 3 346.427 2.394 20 30 EEEDHM C#C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1Br)C(C)C ZINC001588329220 1348887720 /nfs/dbraw/zinc/88/77/20/1348887720.db2.gz AVSOABAWTDZFJI-NSHDSACASA-N -1 3 348.204 2.017 20 30 EEEDHM C#C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1Br)C(C)C ZINC001588329220 1348887724 /nfs/dbraw/zinc/88/77/24/1348887724.db2.gz AVSOABAWTDZFJI-NSHDSACASA-N -1 3 348.204 2.017 20 30 EEEDHM C#C[C@@H](CCC)NC(=O)NC(C)(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588328106 1348888189 /nfs/dbraw/zinc/88/81/89/1348888189.db2.gz ZKDPRIVSALJZNS-HNNXBMFYSA-N -1 3 340.431 2.289 20 30 EEEDHM C#C[C@@H](CCC)NC(=O)NC(C)(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588328106 1348888194 /nfs/dbraw/zinc/88/81/94/1348888194.db2.gz ZKDPRIVSALJZNS-HNNXBMFYSA-N -1 3 340.431 2.289 20 30 EEEDHM C#CC1CCN(c2c(Br)cccc2-c2nnn[n-]2)CC1 ZINC001588330561 1348888293 /nfs/dbraw/zinc/88/82/93/1348888293.db2.gz FZSIGJGAPIULCO-UHFFFAOYSA-N -1 3 332.205 2.479 20 30 EEEDHM C#CC1CCN(c2c(Br)cccc2-c2nn[n-]n2)CC1 ZINC001588330561 1348888299 /nfs/dbraw/zinc/88/82/99/1348888299.db2.gz FZSIGJGAPIULCO-UHFFFAOYSA-N -1 3 332.205 2.479 20 30 EEEDHM C#C[C@H]1CCCCN1c1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1 ZINC001588332267 1348890275 /nfs/dbraw/zinc/89/02/75/1348890275.db2.gz IFDCRWWPBWOMMM-AWEZNQCLSA-N -1 3 347.382 2.441 20 30 EEEDHM C#C[C@H]1CCCCN1c1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1 ZINC001588332267 1348890280 /nfs/dbraw/zinc/89/02/80/1348890280.db2.gz IFDCRWWPBWOMMM-AWEZNQCLSA-N -1 3 347.382 2.441 20 30 EEEDHM C#Cc1cccc(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC001588374610 1348898055 /nfs/dbraw/zinc/89/80/55/1348898055.db2.gz DCTXYSLZNWCGSL-KHPPLWFESA-N -1 3 329.363 2.178 20 30 EEEDHM C#Cc1cccc(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC001588374610 1348898062 /nfs/dbraw/zinc/89/80/62/1348898062.db2.gz DCTXYSLZNWCGSL-KHPPLWFESA-N -1 3 329.363 2.178 20 30 EEEDHM C#Cc1cccc(CNC(=O)NCc2ccc(C)c(-c3nnn[n-]3)c2)c1 ZINC001588374773 1348898149 /nfs/dbraw/zinc/89/81/49/1348898149.db2.gz NIIHSXRVQBUMHL-UHFFFAOYSA-N -1 3 346.394 2.156 20 30 EEEDHM C#Cc1cccc(CNC(=O)NCc2ccc(C)c(-c3nn[n-]n3)c2)c1 ZINC001588374773 1348898154 /nfs/dbraw/zinc/89/81/54/1348898154.db2.gz NIIHSXRVQBUMHL-UHFFFAOYSA-N -1 3 346.394 2.156 20 30 EEEDHM C=C(C)C[C@H](C)C(=O)OCC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588406563 1348902257 /nfs/dbraw/zinc/90/22/57/1348902257.db2.gz WNXLNSZKMITNPD-LBPRGKRZSA-N -1 3 328.372 2.124 20 30 EEEDHM C=C(C)C[C@H](C)C(=O)OCC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588406563 1348902259 /nfs/dbraw/zinc/90/22/59/1348902259.db2.gz WNXLNSZKMITNPD-LBPRGKRZSA-N -1 3 328.372 2.124 20 30 EEEDHM C=C(C)CCC(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588416698 1348902980 /nfs/dbraw/zinc/90/29/80/1348902980.db2.gz YOGVQZXAZPCHRM-GFCCVEGCSA-N -1 3 343.435 2.091 20 30 EEEDHM C=C(C)CCC(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588416698 1348902985 /nfs/dbraw/zinc/90/29/85/1348902985.db2.gz YOGVQZXAZPCHRM-GFCCVEGCSA-N -1 3 343.435 2.091 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588436390 1348905261 /nfs/dbraw/zinc/90/52/61/1348905261.db2.gz OOIFGONPGQQTHS-CQDKDKBSSA-N -1 3 327.388 2.025 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588436390 1348905262 /nfs/dbraw/zinc/90/52/62/1348905262.db2.gz OOIFGONPGQQTHS-CQDKDKBSSA-N -1 3 327.388 2.025 20 30 EEEDHM C=CC(C)(C)C(=O)N(C)CCN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588468710 1348907562 /nfs/dbraw/zinc/90/75/62/1348907562.db2.gz NZOVLXDMFGBOBC-UHFFFAOYSA-N -1 3 346.410 2.113 20 30 EEEDHM C=CC(C)(C)C(=O)N(C)CCN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588468710 1348907565 /nfs/dbraw/zinc/90/75/65/1348907565.db2.gz NZOVLXDMFGBOBC-UHFFFAOYSA-N -1 3 346.410 2.113 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588489199 1348909014 /nfs/dbraw/zinc/90/90/14/1348909014.db2.gz XUXNDQDOKMIOPE-SJCJKPOMSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588489199 1348909017 /nfs/dbraw/zinc/90/90/17/1348909017.db2.gz XUXNDQDOKMIOPE-SJCJKPOMSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@H](C)ONC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588518654 1348911253 /nfs/dbraw/zinc/91/12/53/1348911253.db2.gz IJPAOUZQHJHTCX-IINYFYTJSA-N -1 3 328.376 2.049 20 30 EEEDHM C=C[C@H](C)ONC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588518654 1348911258 /nfs/dbraw/zinc/91/12/58/1348911258.db2.gz IJPAOUZQHJHTCX-IINYFYTJSA-N -1 3 328.376 2.049 20 30 EEEDHM C=CCC(C)(C)C(=O)NC[C@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588533014 1348915074 /nfs/dbraw/zinc/91/50/74/1348915074.db2.gz LQITYKWMFSRBIA-VIFPVBQESA-N -1 3 349.464 2.151 20 30 EEEDHM C=CCCCS(=O)(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588600648 1348922613 /nfs/dbraw/zinc/92/26/13/1348922613.db2.gz JQVQNOBXIIGDOE-UHFFFAOYSA-N -1 3 349.460 2.375 20 30 EEEDHM C=CCCCS(=O)(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588600648 1348922617 /nfs/dbraw/zinc/92/26/17/1348922617.db2.gz JQVQNOBXIIGDOE-UHFFFAOYSA-N -1 3 349.460 2.375 20 30 EEEDHM C=CCCCCNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC001588596760 1348923122 /nfs/dbraw/zinc/92/31/22/1348923122.db2.gz YPVIBXSEUYUHTE-UHFFFAOYSA-N -1 3 341.824 2.155 20 30 EEEDHM C=CCCCCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC001588596760 1348923126 /nfs/dbraw/zinc/92/31/26/1348923126.db2.gz YPVIBXSEUYUHTE-UHFFFAOYSA-N -1 3 341.824 2.155 20 30 EEEDHM C=CCN(CC=C)C(=O)[C@@H](C)Oc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588627861 1348924380 /nfs/dbraw/zinc/92/43/80/1348924380.db2.gz LKHFMEXGRIIUMX-LLVKDONJSA-N -1 3 347.806 2.488 20 30 EEEDHM C=CCN(CC=C)C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588627861 1348924381 /nfs/dbraw/zinc/92/43/81/1348924381.db2.gz LKHFMEXGRIIUMX-LLVKDONJSA-N -1 3 347.806 2.488 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(SC)CC1 ZINC001588638393 1348925127 /nfs/dbraw/zinc/92/51/27/1348925127.db2.gz BWEGSSICTOQYDU-UHFFFAOYSA-N -1 3 329.429 2.277 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(SC)CC1 ZINC001588638393 1348925129 /nfs/dbraw/zinc/92/51/29/1348925129.db2.gz BWEGSSICTOQYDU-UHFFFAOYSA-N -1 3 329.429 2.277 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1cnc(Cl)cn1 ZINC001588647851 1348925817 /nfs/dbraw/zinc/92/58/17/1348925817.db2.gz CIYBPBLVAIJYDZ-UHFFFAOYSA-N -1 3 341.806 2.498 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cnc(Cl)cn1 ZINC001588647851 1348925827 /nfs/dbraw/zinc/92/58/27/1348925827.db2.gz CIYBPBLVAIJYDZ-UHFFFAOYSA-N -1 3 341.806 2.498 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1O[C@H](C)C[C@H]1C ZINC001588640657 1348926020 /nfs/dbraw/zinc/92/60/20/1348926020.db2.gz WQEMQVCGNOYDJK-XJKCOSOUSA-N -1 3 341.415 2.195 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1O[C@H](C)C[C@H]1C ZINC001588640657 1348926022 /nfs/dbraw/zinc/92/60/22/1348926022.db2.gz WQEMQVCGNOYDJK-XJKCOSOUSA-N -1 3 341.415 2.195 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[C@H](C)F ZINC001588642270 1348926219 /nfs/dbraw/zinc/92/62/19/1348926219.db2.gz WYCBMUZFNGZEQO-LBPRGKRZSA-N -1 3 332.383 2.312 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[C@H](C)F ZINC001588642270 1348926224 /nfs/dbraw/zinc/92/62/24/1348926224.db2.gz WYCBMUZFNGZEQO-LBPRGKRZSA-N -1 3 332.383 2.312 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C#N)oc1C ZINC001588649638 1348927698 /nfs/dbraw/zinc/92/76/98/1348927698.db2.gz WWQXFXQGAFCKNU-UHFFFAOYSA-N -1 3 348.366 2.468 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C#N)oc1C ZINC001588649638 1348927699 /nfs/dbraw/zinc/92/76/99/1348927699.db2.gz WWQXFXQGAFCKNU-UHFFFAOYSA-N -1 3 348.366 2.468 20 30 EEEDHM C=CCOCCOc1c(-c2nnn[n-]2)cnc2ccc(OC)cc21 ZINC001588688799 1348929064 /nfs/dbraw/zinc/92/90/64/1348929064.db2.gz AKWWNSKBLGRTDI-UHFFFAOYSA-N -1 3 327.344 2.005 20 30 EEEDHM C=CCOCCOc1c(-c2nn[n-]n2)cnc2ccc(OC)cc21 ZINC001588688799 1348929066 /nfs/dbraw/zinc/92/90/66/1348929066.db2.gz AKWWNSKBLGRTDI-UHFFFAOYSA-N -1 3 327.344 2.005 20 30 EEEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCC1(CC#N)CC1 ZINC001589254534 1348975810 /nfs/dbraw/zinc/97/58/10/1348975810.db2.gz OYRXZFDIFWFGNA-UHFFFAOYSA-N -1 3 342.407 2.239 20 30 EEEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCC1(CC#N)CC1 ZINC001589254534 1348975813 /nfs/dbraw/zinc/97/58/13/1348975813.db2.gz OYRXZFDIFWFGNA-UHFFFAOYSA-N -1 3 342.407 2.239 20 30 EEEDHM C[C@H](Cc1ccc(O)c(O)c1)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589898978 1349056208 /nfs/dbraw/zinc/05/62/08/1349056208.db2.gz BMPZMHXWARCFIU-SNVBAGLBSA-N -1 3 336.355 2.193 20 30 EEEDHM C[C@H](Cc1ccc(O)c(O)c1)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589898978 1349056209 /nfs/dbraw/zinc/05/62/09/1349056209.db2.gz BMPZMHXWARCFIU-SNVBAGLBSA-N -1 3 336.355 2.193 20 30 EEEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)c1cccc(C#N)c1 ZINC001590020375 1349111243 /nfs/dbraw/zinc/11/12/43/1349111243.db2.gz LSGOCOBPHQKIBI-GFCCVEGCSA-N -1 3 348.366 2.169 20 30 EEEDHM C[C@H](Oc1ccccc1C#N)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC001590031749 1349118271 /nfs/dbraw/zinc/11/82/71/1349118271.db2.gz UAEZQSVHZMEFOD-LBPRGKRZSA-N -1 3 348.366 2.169 20 30 EEEDHM C[C@H](Oc1ccccc1C#N)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC001590031749 1349118274 /nfs/dbraw/zinc/11/82/74/1349118274.db2.gz UAEZQSVHZMEFOD-LBPRGKRZSA-N -1 3 348.366 2.169 20 30 EEEDHM C[C@@H]1CCc2nc(NC(=O)c3ccc(C#N)o3)c(-c3nnn[n-]3)cc2C1 ZINC001590279871 1349246764 /nfs/dbraw/zinc/24/67/64/1349246764.db2.gz IPSRNXBFQQZTSS-SECBINFHSA-N -1 3 349.354 2.103 20 30 EEEDHM C[C@@H]1CCc2nc(NC(=O)c3ccc(C#N)o3)c(-c3nn[n-]n3)cc2C1 ZINC001590279871 1349246771 /nfs/dbraw/zinc/24/67/71/1349246771.db2.gz IPSRNXBFQQZTSS-SECBINFHSA-N -1 3 349.354 2.103 20 30 EEEDHM CCC(C#N)(CC)C(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001590367178 1349287346 /nfs/dbraw/zinc/28/73/46/1349287346.db2.gz GEXCRFRJKKVUTG-UHFFFAOYSA-N -1 3 332.795 2.466 20 30 EEEDHM CCC(C#N)(CC)C(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001590367178 1349287354 /nfs/dbraw/zinc/28/73/54/1349287354.db2.gz GEXCRFRJKKVUTG-UHFFFAOYSA-N -1 3 332.795 2.466 20 30 EEEDHM CN(C)c1cc(C(=O)OCC(C)(C)CCC#N)cc(-c2nnn[n-]2)c1 ZINC001591028430 1349430502 /nfs/dbraw/zinc/43/05/02/1349430502.db2.gz LICVCZXIJGHEHB-UHFFFAOYSA-N -1 3 342.403 2.419 20 30 EEEDHM CN(C)c1cc(C(=O)OCC(C)(C)CCC#N)cc(-c2nn[n-]n2)c1 ZINC001591028430 1349430508 /nfs/dbraw/zinc/43/05/08/1349430508.db2.gz LICVCZXIJGHEHB-UHFFFAOYSA-N -1 3 342.403 2.419 20 30 EEEDHM COc1cc(C=NNc2ccnc3ccccc32)ccc1-c1nnn[n-]1 ZINC001591523598 1349499434 /nfs/dbraw/zinc/49/94/34/1349499434.db2.gz YDFFBBBOBHPKCF-UHFFFAOYSA-N -1 3 345.366 2.291 20 30 EEEDHM COc1cc(C=NNc2ccnc3ccccc32)ccc1-c1nn[n-]n1 ZINC001591523598 1349499441 /nfs/dbraw/zinc/49/94/41/1349499441.db2.gz YDFFBBBOBHPKCF-UHFFFAOYSA-N -1 3 345.366 2.291 20 30 EEEDHM Cc1ccc2c(c1)CN(c1c(C#N)cccc1-c1nnn[n-]1)CCO2 ZINC001592203618 1349606699 /nfs/dbraw/zinc/60/66/99/1349606699.db2.gz IVSDYNOYLFGYFH-UHFFFAOYSA-N -1 3 332.367 2.446 20 30 EEEDHM Cc1ccc2c(c1)CN(c1c(C#N)cccc1-c1nn[n-]n1)CCO2 ZINC001592203618 1349606706 /nfs/dbraw/zinc/60/67/06/1349606706.db2.gz IVSDYNOYLFGYFH-UHFFFAOYSA-N -1 3 332.367 2.446 20 30 EEEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCCC(F)(F)Cl ZINC001592686581 1349705493 /nfs/dbraw/zinc/70/54/93/1349705493.db2.gz OWGYJVBMFGJVEW-UHFFFAOYSA-N -1 3 331.739 2.029 20 30 EEEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCCC(F)(F)Cl ZINC001592686581 1349705494 /nfs/dbraw/zinc/70/54/94/1349705494.db2.gz OWGYJVBMFGJVEW-UHFFFAOYSA-N -1 3 331.739 2.029 20 30 EEEDHM N#Cc1cc(F)cc(NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001592689628 1349706561 /nfs/dbraw/zinc/70/65/61/1349706561.db2.gz OVAMYXCOTUIGGM-UHFFFAOYSA-N -1 3 326.266 2.269 20 30 EEEDHM N#Cc1cc(F)cc(NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001592689628 1349706565 /nfs/dbraw/zinc/70/65/65/1349706565.db2.gz OVAMYXCOTUIGGM-UHFFFAOYSA-N -1 3 326.266 2.269 20 30 EEEDHM N#Cc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC001592693182 1349707077 /nfs/dbraw/zinc/70/70/77/1349707077.db2.gz JTPGGHVUXXCLRC-UHFFFAOYSA-N -1 3 337.318 2.199 20 30 EEEDHM N#Cc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC001592693182 1349707080 /nfs/dbraw/zinc/70/70/80/1349707080.db2.gz JTPGGHVUXXCLRC-UHFFFAOYSA-N -1 3 337.318 2.199 20 30 EEEDHM NC(=NOCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC001592711213 1349709938 /nfs/dbraw/zinc/70/99/38/1349709938.db2.gz MHUWYAOPRAUYRJ-UHFFFAOYSA-N -1 3 346.753 2.496 20 30 EEEDHM NC(=NOCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC001592711213 1349709944 /nfs/dbraw/zinc/70/99/44/1349709944.db2.gz MHUWYAOPRAUYRJ-UHFFFAOYSA-N -1 3 346.753 2.496 20 30 EEEDHM C#CCN1CCC(C(=O)Nc2ccc(OCC)c(F)c2C(=O)[O-])CC1 ZINC001602720828 1350577933 /nfs/dbraw/zinc/57/79/33/1350577933.db2.gz ISSCRUYDQQVCLI-UHFFFAOYSA-N -1 3 348.374 2.206 20 30 EEEDHM C#CCOc1cccc(OC(=O)c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001602732304 1350578501 /nfs/dbraw/zinc/57/85/01/1350578501.db2.gz WEGSFLMKFVISAC-UHFFFAOYSA-N -1 3 338.298 2.237 20 30 EEEDHM C#CCOc1cccc(OC(=O)c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001602732304 1350578502 /nfs/dbraw/zinc/57/85/02/1350578502.db2.gz WEGSFLMKFVISAC-UHFFFAOYSA-N -1 3 338.298 2.237 20 30 EEEDHM C=CC(C)(C)CC(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001602785453 1350586544 /nfs/dbraw/zinc/58/65/44/1350586544.db2.gz VIWXBJLFUWGXSF-NWDGAFQWSA-N -1 3 343.435 2.169 20 30 EEEDHM C=CC(C)(C)CC(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001602785453 1350586547 /nfs/dbraw/zinc/58/65/47/1350586547.db2.gz VIWXBJLFUWGXSF-NWDGAFQWSA-N -1 3 343.435 2.169 20 30 EEEDHM C=C[C@H](CC)CC(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001602801102 1350588243 /nfs/dbraw/zinc/58/82/43/1350588243.db2.gz RIPGINAGRCLXFO-WCQYABFASA-N -1 3 343.435 2.089 20 30 EEEDHM C=C[C@H](CC)CC(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001602801102 1350588249 /nfs/dbraw/zinc/58/82/49/1350588249.db2.gz RIPGINAGRCLXFO-WCQYABFASA-N -1 3 343.435 2.089 20 30 EEEDHM C=C[C@H](CC)CC(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001602800736 1350588288 /nfs/dbraw/zinc/58/82/88/1350588288.db2.gz OLXDJYQYAPDEOT-QWHCGFSZSA-N -1 3 343.435 2.123 20 30 EEEDHM 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EEEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccccc1-n1ccnn1 ZINC001606483400 1351309351 /nfs/dbraw/zinc/30/93/51/1351309351.db2.gz WORQOMRIVLITEJ-AATRIKPKSA-N -1 3 349.379 2.405 20 30 EEEDHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@H](C#N)C2)c(Cl)c1 ZINC001646616035 1352885894 /nfs/dbraw/zinc/88/58/94/1352885894.db2.gz LQMGSBROKAGJSS-SNVBAGLBSA-N -1 3 341.820 2.087 20 30 EEEDHM C=C(Cl)CNCc1cc(=O)[n-]c(CNC(=O)C2CCCCC2)n1 ZINC001489070774 1369123511 /nfs/dbraw/zinc/12/35/11/1369123511.db2.gz KCRGHGNMRUVWRT-UHFFFAOYSA-N -1 3 338.839 2.221 20 30 EEEDHM C=C(Cl)CNCc1cc(=O)[n-]c(CNC(=O)C(C)(C)CCC)n1 ZINC001489078208 1369124206 /nfs/dbraw/zinc/12/42/06/1369124206.db2.gz FHVFWPUUQPTMLF-UHFFFAOYSA-N -1 3 340.855 2.467 20 30 EEEDHM C[C@H]1CN(C(=O)C#CC(C)(C)C)CC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001073742136 1370916993 /nfs/dbraw/zinc/91/69/93/1370916993.db2.gz TVQHMIGXVWBWMC-HOCLYGCPSA-N -1 3 342.439 2.409 20 30 EEEDHM C=CCCOCC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001075041757 1370970390 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EEEDHM CNC(=O)c1cccc(C([O-])=C(C#N)c2ccc3ccccc3n2)n1 ZINC001341923969 1372938576 /nfs/dbraw/zinc/93/85/76/1372938576.db2.gz GBEFXDJJRSAXJN-ZDUSSCGKSA-N -1 3 330.347 2.479 20 30 EEEDHM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cc(F)ccc1N(C)C ZINC001364073542 1373582589 /nfs/dbraw/zinc/58/25/89/1373582589.db2.gz NVMXDIASKQBTHF-NSHDSACASA-N -1 3 348.403 2.198 20 30 EEEDHM COc1cc(C(=O)Nc2ccc(F)cc2C#N)ccc1-c1nnn[n-]1 ZINC001579913262 1403795929 /nfs/dbraw/zinc/79/59/29/1403795929.db2.gz LYMJXULCTOEKHG-UHFFFAOYSA-N -1 3 338.302 2.138 20 30 EEEDHM COc1cc(C(=O)Nc2ccc(F)cc2C#N)ccc1-c1nn[n-]n1 ZINC001579913262 1403795934 /nfs/dbraw/zinc/79/59/34/1403795934.db2.gz LYMJXULCTOEKHG-UHFFFAOYSA-N -1 3 338.302 2.138 20 30 EEEDHM COc1cc(C(=O)Nc2cc(C#N)ccc2C)ccc1-c1nnn[n-]1 ZINC001579913322 1403796228 /nfs/dbraw/zinc/79/62/28/1403796228.db2.gz PKFJPKXPMGIMNS-UHFFFAOYSA-N -1 3 334.339 2.308 20 30 EEEDHM COc1cc(C(=O)Nc2cc(C#N)ccc2C)ccc1-c1nn[n-]n1 ZINC001579913322 1403796235 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Cc1csc(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)c1-c1nn[n-]n1 ZINC001592321857 1404020033 /nfs/dbraw/zinc/02/00/33/1404020033.db2.gz SDKCNQSHPNTCSX-UWVGGRQHSA-N -1 3 331.405 2.441 20 30 EEEDHM N#CC1(CNC(=O)c2c[nH]c3cccc(-c4nnn[n-]4)c23)CCCC1 ZINC001592668002 1404707430 /nfs/dbraw/zinc/70/74/30/1404707430.db2.gz CCOPOVSTHADARY-UHFFFAOYSA-N -1 3 335.371 2.162 20 30 EEEDHM N#CC1(CNC(=O)c2c[nH]c3cccc(-c4nn[n-]n4)c23)CCCC1 ZINC001592668002 1404707432 /nfs/dbraw/zinc/70/74/32/1404707432.db2.gz CCOPOVSTHADARY-UHFFFAOYSA-N -1 3 335.371 2.162 20 30 EEEDHM N#C[C@@]1(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC2CCC1CC2 ZINC001592670014 1404709961 /nfs/dbraw/zinc/70/99/61/1404709961.db2.gz WOVKKRFSJKXDMP-WOOZHMMNSA-N -1 3 336.399 2.203 20 30 EEEDHM N#C[C@@]1(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC2CCC1CC2 ZINC001592670014 1404709963 /nfs/dbraw/zinc/70/99/63/1404709963.db2.gz WOVKKRFSJKXDMP-WOOZHMMNSA-N -1 3 336.399 2.203 20 30 EEEDHM N#CCC1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001592673946 1404712016 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C=C[C@@H](CC)CC(=O)NC[C@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001588521422 1348912589 /nfs/dbraw/zinc/91/25/89/1348912589.db2.gz NEGYMJRRXHVOIG-STQMWFEESA-N -1 3 343.435 2.028 20 30 EEEDHM C=C[C@@H](CC)CC(=O)NC[C@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001588521422 1348912592 /nfs/dbraw/zinc/91/25/92/1348912592.db2.gz NEGYMJRRXHVOIG-STQMWFEESA-N -1 3 343.435 2.028 20 30 EEEDHM C=CCC(C)(C)C(=O)N(CC)CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001588531834 1348914371 /nfs/dbraw/zinc/91/43/71/1348914371.db2.gz JSUMXVGYLZNWJF-UHFFFAOYSA-N -1 3 343.435 2.124 20 30 EEEDHM C=CCC(C)(C)C(=O)N(CC)CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001588531834 1348914374 /nfs/dbraw/zinc/91/43/74/1348914374.db2.gz JSUMXVGYLZNWJF-UHFFFAOYSA-N -1 3 343.435 2.124 20 30 EEEDHM C=CC[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)c(OC)c2)C1 ZINC001588560329 1348916557 /nfs/dbraw/zinc/91/65/57/1348916557.db2.gz PGQLNBZJJQRIEW-LBPRGKRZSA-N -1 3 327.388 2.304 20 30 EEEDHM C=CC[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)c(OC)c2)C1 ZINC001588560329 1348916560 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C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC(C)(C)COC ZINC001588640100 1348925975 /nfs/dbraw/zinc/92/59/75/1348925975.db2.gz KJGQFKNZYKNSOC-UHFFFAOYSA-N -1 3 343.431 2.444 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC(C)(C)COC ZINC001588640100 1348925977 /nfs/dbraw/zinc/92/59/77/1348925977.db2.gz KJGQFKNZYKNSOC-UHFFFAOYSA-N -1 3 343.431 2.444 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)C(F)F ZINC001588640735 1348926357 /nfs/dbraw/zinc/92/63/57/1348926357.db2.gz ZFIOKEQUMYKUDJ-JTQLQIEISA-N -1 3 336.346 2.218 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)C(F)F ZINC001588640735 1348926359 /nfs/dbraw/zinc/92/63/59/1348926359.db2.gz ZFIOKEQUMYKUDJ-JTQLQIEISA-N -1 3 336.346 2.218 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)C(F)F ZINC001588640736 1348926469 /nfs/dbraw/zinc/92/64/69/1348926469.db2.gz ZFIOKEQUMYKUDJ-SNVBAGLBSA-N -1 3 336.346 2.218 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)C(F)F ZINC001588640736 1348926472 /nfs/dbraw/zinc/92/64/72/1348926472.db2.gz ZFIOKEQUMYKUDJ-SNVBAGLBSA-N -1 3 336.346 2.218 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(CC)on1 ZINC001588649674 1348927467 /nfs/dbraw/zinc/92/74/67/1348927467.db2.gz ZXNOHXJITXHFND-UHFFFAOYSA-N -1 3 338.371 2.246 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(CC)on1 ZINC001588649674 1348927469 /nfs/dbraw/zinc/92/74/69/1348927469.db2.gz ZXNOHXJITXHFND-UHFFFAOYSA-N -1 3 338.371 2.246 20 30 EEEDHM CC#CCCOC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC001588745827 1348930884 /nfs/dbraw/zinc/93/08/84/1348930884.db2.gz FNDJNJKYXUBOCH-UHFFFAOYSA-N -1 3 345.428 2.236 20 30 EEEDHM CC#CCCOC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC001588745827 1348930889 /nfs/dbraw/zinc/93/08/89/1348930889.db2.gz FNDJNJKYXUBOCH-UHFFFAOYSA-N -1 3 345.428 2.236 20 30 EEEDHM C[C@@]1(C#N)CCN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC001590054375 1349133039 /nfs/dbraw/zinc/13/30/39/1349133039.db2.gz JMIBEFWJSBATME-INIZCTEOSA-N -1 3 341.325 2.433 20 30 EEEDHM 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/nfs/dbraw/zinc/37/48/40/1349374840.db2.gz RJSDAYQSGYPYEZ-AWEZNQCLSA-N -1 3 346.435 2.103 20 30 EEEDHM CCCCCCCC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001590592993 1349374845 /nfs/dbraw/zinc/37/48/45/1349374845.db2.gz RJSDAYQSGYPYEZ-AWEZNQCLSA-N -1 3 346.435 2.103 20 30 EEEDHM Cc1cc(C=Nn2cnnc2-c2ccccc2)ccc1-c1nnn[n-]1 ZINC001591958832 1349567751 /nfs/dbraw/zinc/56/77/51/1349567751.db2.gz OIQZURSAZKKYHP-UHFFFAOYSA-N -1 3 330.355 2.316 20 30 EEEDHM Cc1cc(C=Nn2cnnc2-c2ccccc2)ccc1-c1nn[n-]n1 ZINC001591958832 1349567763 /nfs/dbraw/zinc/56/77/63/1349567763.db2.gz OIQZURSAZKKYHP-UHFFFAOYSA-N -1 3 330.355 2.316 20 30 EEEDHM N#Cc1c(F)cccc1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC001592687255 1349705754 /nfs/dbraw/zinc/70/57/54/1349705754.db2.gz UNMYEZNKJXYGMK-UHFFFAOYSA-N -1 3 341.277 2.374 20 30 EEEDHM N#Cc1c(F)cccc1C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC001592687255 1349705759 /nfs/dbraw/zinc/70/57/59/1349705759.db2.gz UNMYEZNKJXYGMK-UHFFFAOYSA-N -1 3 341.277 2.374 20 30 EEEDHM O=C1C(=Cc2cn(C3CC3)cn2)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001593380248 1349794576 /nfs/dbraw/zinc/79/45/76/1349794576.db2.gz NJURLXKHDPHODZ-WDZFZDKYSA-N -1 3 333.355 2.006 20 30 EEEDHM O=C1C(=Cc2cn(C3CC3)cn2)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001593380248 1349794579 /nfs/dbraw/zinc/79/45/79/1349794579.db2.gz NJURLXKHDPHODZ-WDZFZDKYSA-N -1 3 333.355 2.006 20 30 EEEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC001602752434 1350581138 /nfs/dbraw/zinc/58/11/38/1350581138.db2.gz CFRYJOMFYPLTDN-SJKOYZFVSA-N -1 3 336.399 2.230 20 30 EEEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC001602752434 1350581140 /nfs/dbraw/zinc/58/11/40/1350581140.db2.gz CFRYJOMFYPLTDN-SJKOYZFVSA-N -1 3 336.399 2.230 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602750609 1350581682 /nfs/dbraw/zinc/58/16/82/1350581682.db2.gz YNZQWILEROHMJK-UHFFFAOYSA-N -1 3 343.431 2.444 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602750609 1350581685 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20 30 EEEDHM C=CC[C@@H](CC)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001602811014 1350589474 /nfs/dbraw/zinc/58/94/74/1350589474.db2.gz CSIBBMGLQURSTR-SNVBAGLBSA-N -1 3 341.824 2.153 20 30 EEEDHM C=CCCC(=O)N[C@H](C)C[C@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001602824626 1350591831 /nfs/dbraw/zinc/59/18/31/1350591831.db2.gz PWXLCGQKHIVKTK-OLZOCXBDSA-N -1 3 343.435 2.232 20 30 EEEDHM C=CCCC(=O)N[C@H](C)C[C@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001602824626 1350591834 /nfs/dbraw/zinc/59/18/34/1350591834.db2.gz PWXLCGQKHIVKTK-OLZOCXBDSA-N -1 3 343.435 2.232 20 30 EEEDHM C=CCN(CC=C)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001602850372 1350595759 /nfs/dbraw/zinc/59/57/59/1350595759.db2.gz PEQINRWXQKWOKU-ZDUSSCGKSA-N -1 3 327.388 2.143 20 30 EEEDHM C=CCc1ccc(OC(=O)c2cc(-c3nnn[n-]3)ccn2)c(OC)c1 ZINC001602875350 1350599523 /nfs/dbraw/zinc/59/95/23/1350599523.db2.gz CXUQYYHHUOKJOQ-UHFFFAOYSA-N -1 3 337.339 2.218 20 30 EEEDHM C=CCc1ccc(OC(=O)c2cc(-c3nn[n-]n3)ccn2)c(OC)c1 ZINC001602875350 1350599526 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EEEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC001604802942 1351009396 /nfs/dbraw/zinc/00/93/96/1351009396.db2.gz AXMVXGWIMNDVPM-SFHVURJKSA-N -1 3 336.399 2.299 20 30 EEEDHM COc1cc(C#N)ccc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001605191355 1351099821 /nfs/dbraw/zinc/09/98/21/1351099821.db2.gz PCEGKJREAMMNKZ-UHFFFAOYSA-N -1 3 348.366 2.318 20 30 EEEDHM COc1cc(C#N)ccc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001605191355 1351099826 /nfs/dbraw/zinc/09/98/26/1351099826.db2.gz PCEGKJREAMMNKZ-UHFFFAOYSA-N -1 3 348.366 2.318 20 30 EEEDHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(C#N)cc1OC ZINC001605243428 1351114948 /nfs/dbraw/zinc/11/49/48/1351114948.db2.gz COOSLWYYQAASKS-UHFFFAOYSA-N -1 3 336.355 2.368 20 30 EEEDHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(C#N)cc1OC ZINC001605243428 1351114951 /nfs/dbraw/zinc/11/49/51/1351114951.db2.gz COOSLWYYQAASKS-UHFFFAOYSA-N -1 3 336.355 2.368 20 30 EEEDHM N#C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC1CCCC1 ZINC001606337991 1351294509 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C[C@@H](NC(=O)Nc1cccc(CC#N)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC001575303685 1403545164 /nfs/dbraw/zinc/54/51/64/1403545164.db2.gz OZNDZQIUUINETJ-LLVKDONJSA-N -1 3 348.370 2.210 20 30 EEEDHM COc1cc(C(=O)Nc2sccc2C#N)ccc1-c1nnn[n-]1 ZINC001579915470 1403797313 /nfs/dbraw/zinc/79/73/13/1403797313.db2.gz GLRPTMJZZNQACP-UHFFFAOYSA-N -1 3 326.341 2.061 20 30 EEEDHM COc1cc(C(=O)Nc2sccc2C#N)ccc1-c1nn[n-]n1 ZINC001579915470 1403797317 /nfs/dbraw/zinc/79/73/17/1403797317.db2.gz GLRPTMJZZNQACP-UHFFFAOYSA-N -1 3 326.341 2.061 20 30 EEEDHM COc1cc(OC(=O)c2cc(-c3nnn[n-]3)ccc2F)ccc1C#N ZINC001591548500 1403926239 /nfs/dbraw/zinc/92/62/39/1403926239.db2.gz QNHKJPNTJPLNRA-UHFFFAOYSA-N -1 3 339.286 2.105 20 30 EEEDHM COc1cc(OC(=O)c2cc(-c3nn[n-]n3)ccc2F)ccc1C#N ZINC001591548500 1403926247 /nfs/dbraw/zinc/92/62/47/1403926247.db2.gz QNHKJPNTJPLNRA-UHFFFAOYSA-N -1 3 339.286 2.105 20 30 EEEDHM C[Si](C)(C)C#CCCNC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001591780361 1403948715 /nfs/dbraw/zinc/94/87/15/1403948715.db2.gz 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N#Cc1cccc(-c2nnn[n-]2)c1N1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC001592699283 1404718576 /nfs/dbraw/zinc/71/85/76/1404718576.db2.gz VBGTXTVBYHSWJE-LSDHHAIUSA-N -1 3 338.415 2.381 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC001592699283 1404718579 /nfs/dbraw/zinc/71/85/79/1404718579.db2.gz VBGTXTVBYHSWJE-LSDHHAIUSA-N -1 3 338.415 2.381 20 30 EEEDHM Cc1ccc(-c2nnn[n-]2)c(N2CCc3c(CC#N)cccc3C2)n1 ZINC001605767513 1404753125 /nfs/dbraw/zinc/75/31/25/1404753125.db2.gz KKKYCMDWQLOJOU-UHFFFAOYSA-N -1 3 331.383 2.199 20 30 EEEDHM Cc1ccc(-c2nn[n-]n2)c(N2CCc3c(CC#N)cccc3C2)n1 ZINC001605767513 1404753128 /nfs/dbraw/zinc/75/31/28/1404753128.db2.gz KKKYCMDWQLOJOU-UHFFFAOYSA-N -1 3 331.383 2.199 20 30 EEEDHM N#Cc1ccc(C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)cc1 ZINC001606367819 1404804485 /nfs/dbraw/zinc/80/44/85/1404804485.db2.gz OWOBDMTXEBMNLH-UHFFFAOYSA-N -1 3 344.334 2.348 20 30 EEEDHM N#Cc1ccc(C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)cc1 ZINC001606367819 1404804488 /nfs/dbraw/zinc/80/44/88/1404804488.db2.gz OWOBDMTXEBMNLH-UHFFFAOYSA-N -1 3 344.334 2.348 20 30 EEEDHM N#Cc1ccc(N2CCN(c3ccsc3-c3nnn[n-]3)CC2)cc1 ZINC001606372670 1404805091 /nfs/dbraw/zinc/80/50/91/1404805091.db2.gz IZIXAWJQVDDLPN-UHFFFAOYSA-N -1 3 337.412 2.126 20 30 EEEDHM C=C(C)C(C)(C)C(=O)NC[C@@H](CCCC)NC(=O)c1cnc[n-]c1=O ZINC001756113027 1408146509 /nfs/dbraw/zinc/14/65/09/1408146509.db2.gz NQQUWIYYNAJDLN-CYBMUJFWSA-N -1 3 348.447 2.189 20 30 EEEDHM O=C(C#CC1CC1)NC[C@@H]1CCCCCN1C(=O)c1ccccc1[O-] ZINC001756121810 1408153755 /nfs/dbraw/zinc/15/37/55/1408153755.db2.gz IBTHEOLPNSXOKP-INIZCTEOSA-N -1 3 340.423 2.307 20 30 EEEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CC[C@@H]3OCC[C@H]3C2)n1 ZINC001167213527 757508086 /nfs/dbraw/zinc/50/80/86/757508086.db2.gz IFDSNQYKEUDJBV-NGQBEVKNSA-N -1 3 328.825 2.275 20 30 EEEDHM COC(=O)[C@@H]([N-]S(=O)(=O)CCCC#N)c1cccc2ccccc21 ZINC000921386947 773316358 /nfs/dbraw/zinc/31/63/58/773316358.db2.gz YBHGNQBYRMCVGZ-INIZCTEOSA-N -1 3 346.408 2.277 20 30 EEEDHM C[C@H](C#N)Oc1ccccc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000180351344 774740269 /nfs/dbraw/zinc/74/02/69/774740269.db2.gz MKGSWBSCQTZHIM-LLVKDONJSA-N -1 3 334.335 2.466 20 30 EEEDHM C[C@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001079059735 790344447 /nfs/dbraw/zinc/34/44/47/790344447.db2.gz UYAXBHQUBSJWDB-ZIAGYGMSSA-N -1 3 329.400 2.005 20 30 EEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cn(C)nc1Cl ZINC000816151454 783722438 /nfs/dbraw/zinc/72/24/38/783722438.db2.gz ZVFWWPXMDSILKY-UHFFFAOYSA-N -1 3 348.790 2.339 20 30 EEEDHM O=C(CSCc1cccc(Cl)c1)N[C@@H]1CCCN([O-])C1=O ZINC000816755304 784241517 /nfs/dbraw/zinc/24/15/17/784241517.db2.gz XRCMHMZRHWHXKO-GFCCVEGCSA-N -1 3 328.821 2.070 20 30 EEEDHM Cc1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)ccc1NC(=O)CC(C)C ZINC000816757842 784246028 /nfs/dbraw/zinc/24/60/28/784246028.db2.gz CCUASWFAKTUEGZ-OAHLLOKOSA-N -1 3 347.415 2.090 20 30 EEEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(Br)cc1Cl ZINC000816760329 784247250 /nfs/dbraw/zinc/24/72/50/784247250.db2.gz 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C=CCCC[C@@H](C)NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000823893891 787985079 /nfs/dbraw/zinc/98/50/79/787985079.db2.gz APSOSKKOOAVSAJ-CHWSQXEVSA-N -1 3 329.404 2.495 20 30 EEEDHM C=CCc1ccc(OC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c(OC)c1 ZINC000823937270 787993365 /nfs/dbraw/zinc/99/33/65/787993365.db2.gz PHUYYTQLQYEWLH-UHFFFAOYSA-N -1 3 325.328 2.151 20 30 EEEDHM C=CCc1ccc(OC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c(OC)c1 ZINC000823937270 787993375 /nfs/dbraw/zinc/99/33/75/787993375.db2.gz PHUYYTQLQYEWLH-UHFFFAOYSA-N -1 3 325.328 2.151 20 30 EEEDHM C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913302295 788775490 /nfs/dbraw/zinc/77/54/90/788775490.db2.gz UTQXVNYEUNBMGB-GFCCVEGCSA-N -1 3 329.356 2.416 20 30 EEEDHM C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913302295 788775500 /nfs/dbraw/zinc/77/55/00/788775500.db2.gz UTQXVNYEUNBMGB-GFCCVEGCSA-N -1 3 329.356 2.416 20 30 EEEDHM C[C@H]1C[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)c1ccccc1[O-] ZINC001064719574 793623375 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CCOC(=O)c1cc(C#N)c(NC(=O)[C@](C)(O)CC(C)C)c(C)c1[O-] ZINC001183970820 801826409 /nfs/dbraw/zinc/82/64/09/801826409.db2.gz XMZCJBOWCBKJTD-GOSISDBHSA-N -1 3 348.399 2.485 20 30 EEEDHM C=CCOc1ccc(CN2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)cc1 ZINC000901524741 980347821 /nfs/dbraw/zinc/34/78/21/980347821.db2.gz NCVQXKSZDSJRKN-OAHLLOKOSA-N -1 3 342.399 2.378 20 30 EEEDHM COC(=O)c1cccc(CN[C@@]2(C)CCCC[C@@H]2C(=O)[O-])c1C#N ZINC001598994195 998764264 /nfs/dbraw/zinc/76/42/64/998764264.db2.gz LUDYNXQSJJSJRK-QAPCUYQASA-N -1 3 330.384 2.468 20 30 EEEDHM Cc1nc(C)c(CC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c(=O)[n-]1 ZINC000416339946 239192712 /nfs/dbraw/zinc/19/27/12/239192712.db2.gz IVWGSTGXWBKDKK-QGZVFWFLSA-N -1 3 336.395 2.407 20 30 EEEDHM C=C(C)C(C)(C)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000424746171 241033705 /nfs/dbraw/zinc/03/37/05/241033705.db2.gz DKSFXXAHEHOHRC-UHFFFAOYSA-N -1 3 338.429 2.473 20 30 EEEDHM N#CCC1(CS(=O)(=O)[N-][C@@H]2COc3cccc(Cl)c32)CC1 ZINC000451556226 243159371 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/nfs/dbraw/zinc/91/40/35/1348914035.db2.gz YRHCNJCRGGUULK-LLVKDONJSA-N -1 3 347.375 2.161 20 30 EEEDHM C=CCCC[C@H](C)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588595126 1348921771 /nfs/dbraw/zinc/92/17/71/1348921771.db2.gz YYJSCUNZSKRJGC-XJKSGUPXSA-N -1 3 338.415 2.410 20 30 EEEDHM C=CCN(CCc1ccco1)C(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001588635790 1348925330 /nfs/dbraw/zinc/92/53/30/1348925330.db2.gz VPRYSMDOZQLCIK-UHFFFAOYSA-N -1 3 341.346 2.470 20 30 EEEDHM C=CCN(CCc1ccco1)C(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001588635790 1348925334 /nfs/dbraw/zinc/92/53/34/1348925334.db2.gz VPRYSMDOZQLCIK-UHFFFAOYSA-N -1 3 341.346 2.470 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1O[C@@H](C)C[C@H]1C ZINC001588640654 1348926298 /nfs/dbraw/zinc/92/62/98/1348926298.db2.gz WQEMQVCGNOYDJK-DVOMOZLQSA-N -1 3 341.415 2.195 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1O[C@@H](C)C[C@H]1C ZINC001588640654 1348926302 /nfs/dbraw/zinc/92/63/02/1348926302.db2.gz WQEMQVCGNOYDJK-DVOMOZLQSA-N -1 3 341.415 2.195 20 30 EEEDHM C=CCN1CC[C@@H](N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001588655230 1348928401 /nfs/dbraw/zinc/92/84/01/1348928401.db2.gz ZLUIYUHGJKOYGT-MRXNPFEDSA-N -1 3 340.431 2.116 20 30 EEEDHM C=CCn1c(C2CC2)nnc1N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001588703753 1348930389 /nfs/dbraw/zinc/93/03/89/1348930389.db2.gz TUSINIWJOXDCMA-UHFFFAOYSA-N -1 3 334.387 2.042 20 30 EEEDHM C=CCn1c(C2CC2)nnc1N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001588703753 1348930393 /nfs/dbraw/zinc/93/03/93/1348930393.db2.gz TUSINIWJOXDCMA-UHFFFAOYSA-N -1 3 334.387 2.042 20 30 EEEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(C)n(C)n1 ZINC001588777374 1348935333 /nfs/dbraw/zinc/93/53/33/1348935333.db2.gz QCKGMMCGWURBJR-UHFFFAOYSA-N -1 3 330.783 2.398 20 30 EEEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(C)n(C)n1 ZINC001588777374 1348935337 /nfs/dbraw/zinc/93/53/37/1348935337.db2.gz QCKGMMCGWURBJR-UHFFFAOYSA-N -1 3 330.783 2.398 20 30 EEEDHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCCOc1ccc(C#N)cc1 ZINC001588918811 1348947963 /nfs/dbraw/zinc/94/79/63/1348947963.db2.gz RQAYNYKEYIEGFN-UHFFFAOYSA-N -1 3 349.350 2.399 20 30 EEEDHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCCOc1ccc(C#N)cc1 ZINC001588918811 1348947968 /nfs/dbraw/zinc/94/79/68/1348947968.db2.gz RQAYNYKEYIEGFN-UHFFFAOYSA-N -1 3 349.350 2.399 20 30 EEEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)CC#N ZINC001589618840 1349011918 /nfs/dbraw/zinc/01/19/18/1349011918.db2.gz OFXRDZXGBILNRA-CYBMUJFWSA-N -1 3 326.404 2.401 20 30 EEEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)CC#N ZINC001589618840 1349011921 /nfs/dbraw/zinc/01/19/21/1349011921.db2.gz OFXRDZXGBILNRA-CYBMUJFWSA-N -1 3 326.404 2.401 20 30 EEEDHM C[C@@H](NC(=O)NCC1(C#N)CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589934569 1349068638 /nfs/dbraw/zinc/06/86/38/1349068638.db2.gz RQSNBUNPMUNNCT-GFCCVEGCSA-N -1 3 339.403 2.311 20 30 EEEDHM C[C@@H](NC(=O)NCC1(C#N)CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589934569 1349068640 /nfs/dbraw/zinc/06/86/40/1349068640.db2.gz RQSNBUNPMUNNCT-GFCCVEGCSA-N -1 3 339.403 2.311 20 30 EEEDHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(C#N)cc1 ZINC001589944804 1349072317 /nfs/dbraw/zinc/07/23/17/1349072317.db2.gz WBRRCKIZRJAKQK-JTQLQIEISA-N -1 3 336.330 2.368 20 30 EEEDHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(C#N)cc1 ZINC001589944804 1349072320 /nfs/dbraw/zinc/07/23/20/1349072320.db2.gz WBRRCKIZRJAKQK-JTQLQIEISA-N -1 3 336.330 2.368 20 30 EEEDHM CN(C)c1cc(C#N)cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001591027584 1349430416 /nfs/dbraw/zinc/43/04/16/1349430416.db2.gz MWCKZWZCESTJGK-UHFFFAOYSA-N -1 3 348.366 2.161 20 30 EEEDHM CN(C)c1cc(C#N)cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001591027584 1349430426 /nfs/dbraw/zinc/43/04/26/1349430426.db2.gz MWCKZWZCESTJGK-UHFFFAOYSA-N -1 3 348.366 2.161 20 30 EEEDHM COc1cc(C=C2c3ccc(-c4nnn[n-]4)cc3NC2=O)ccc1C#N ZINC001591523345 1349496312 /nfs/dbraw/zinc/49/63/12/1349496312.db2.gz VOMJEJLEWOJXPO-MKMNVTDBSA-N -1 3 344.334 2.240 20 30 EEEDHM COc1cc(C=C2c3ccc(-c4nn[n-]n4)cc3NC2=O)ccc1C#N ZINC001591523345 1349496315 /nfs/dbraw/zinc/49/63/15/1349496315.db2.gz VOMJEJLEWOJXPO-MKMNVTDBSA-N -1 3 344.334 2.240 20 30 EEEDHM Cc1nnc(SCCc2ccc(C#N)cc2)c(-c2nnn[n-]2)c1C ZINC001592450230 1349633644 /nfs/dbraw/zinc/63/36/44/1349633644.db2.gz WITOOBJEYJZPMW-UHFFFAOYSA-N -1 3 337.412 2.480 20 30 EEEDHM Cc1nnc(SCCc2ccc(C#N)cc2)c(-c2nn[n-]n2)c1C ZINC001592450230 1349633646 /nfs/dbraw/zinc/63/36/46/1349633646.db2.gz WITOOBJEYJZPMW-UHFFFAOYSA-N -1 3 337.412 2.480 20 30 EEEDHM c1cc(-c2nnn[n-]2)ccc1CNN=C1CCC2(CCCO2)CC1 ZINC001593548938 1349843441 /nfs/dbraw/zinc/84/34/41/1349843441.db2.gz HIPSNGHHAZVPCG-UHFFFAOYSA-N -1 3 326.404 2.436 20 30 EEEDHM c1cc(-c2nn[n-]n2)ccc1CNN=C1CCC2(CCCO2)CC1 ZINC001593548938 1349843443 /nfs/dbraw/zinc/84/34/43/1349843443.db2.gz HIPSNGHHAZVPCG-UHFFFAOYSA-N -1 3 326.404 2.436 20 30 EEEDHM Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001600531856 1350075167 /nfs/dbraw/zinc/07/51/67/1350075167.db2.gz XWSOVRUICQRLSE-BZUAXINKSA-N -1 3 342.395 2.211 20 30 EEEDHM C#CCCCC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC001602706645 1350576317 /nfs/dbraw/zinc/57/63/17/1350576317.db2.gz XRHMIMBPFVMCII-UHFFFAOYSA-N -1 3 342.359 2.177 20 30 EEEDHM C#CCCCC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC001602706645 1350576322 /nfs/dbraw/zinc/57/63/22/1350576322.db2.gz XRHMIMBPFVMCII-UHFFFAOYSA-N -1 3 342.359 2.177 20 30 EEEDHM C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001602788013 1350586882 /nfs/dbraw/zinc/58/68/82/1350586882.db2.gz CKTYJWQBABQTEP-VHSXEESVSA-N -1 3 343.836 2.017 20 30 EEEDHM C=CCCCC(=O)NC[C@@H](CC)Nc1snc(C)c1-c1nnn[n-]1 ZINC001602832105 1350592897 /nfs/dbraw/zinc/59/28/97/1350592897.db2.gz JYVLVSVEWGTVCG-LLVKDONJSA-N -1 3 349.464 2.295 20 30 EEEDHM C=CCCCC(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001602832575 1350593404 /nfs/dbraw/zinc/59/34/04/1350593404.db2.gz TWBUYDRFINIXOP-TZMCWYRMSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCCC(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001602832575 1350593405 /nfs/dbraw/zinc/59/34/05/1350593405.db2.gz TWBUYDRFINIXOP-TZMCWYRMSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCNC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC001602841040 1350594438 /nfs/dbraw/zinc/59/44/38/1350594438.db2.gz LKFPACQHIPGMOK-UHFFFAOYSA-N -1 3 345.363 2.133 20 30 EEEDHM C=CCCNC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC001602841040 1350594441 /nfs/dbraw/zinc/59/44/41/1350594441.db2.gz LKFPACQHIPGMOK-UHFFFAOYSA-N -1 3 345.363 2.133 20 30 EEEDHM C=CCN(CC=C)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001602850390 1350595993 /nfs/dbraw/zinc/59/59/93/1350595993.db2.gz PLNCRPGYFOYDGN-UHFFFAOYSA-N -1 3 329.429 2.301 20 30 EEEDHM C=CCN(CC=C)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001602850390 1350595996 /nfs/dbraw/zinc/59/59/96/1350595996.db2.gz PLNCRPGYFOYDGN-UHFFFAOYSA-N -1 3 329.429 2.301 20 30 EEEDHM CC(C)(C)OC(=O)CCCC=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC001603084960 1350637628 /nfs/dbraw/zinc/63/76/28/1350637628.db2.gz GYAZWNLBERXINO-UHFFFAOYSA-N -1 3 344.419 2.454 20 30 EEEDHM CC(C)(C)OC(=O)CCCC=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC001603084960 1350637631 /nfs/dbraw/zinc/63/76/31/1350637631.db2.gz GYAZWNLBERXINO-UHFFFAOYSA-N -1 3 344.419 2.454 20 30 EEEDHM CCN(C[C@H](C)C#N)C(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001604274054 1350906912 /nfs/dbraw/zinc/90/69/12/1350906912.db2.gz GGEWPEIOUKIWQJ-LLVKDONJSA-N -1 3 344.394 2.292 20 30 EEEDHM CCN(C[C@H](C)C#N)C(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001604274054 1350906914 /nfs/dbraw/zinc/90/69/14/1350906914.db2.gz GGEWPEIOUKIWQJ-LLVKDONJSA-N -1 3 344.394 2.292 20 30 EEEDHM CN(CCc1cccc(-c2nnn[n-]2)c1)c1ncc(C#N)cc1Cl ZINC001604791879 1351005255 /nfs/dbraw/zinc/00/52/55/1351005255.db2.gz OYJCCOMBGGBDCR-UHFFFAOYSA-N -1 3 339.790 2.466 20 30 EEEDHM CN(CCc1cccc(-c2nn[n-]n2)c1)c1ncc(C#N)cc1Cl ZINC001604791879 1351005257 /nfs/dbraw/zinc/00/52/57/1351005257.db2.gz OYJCCOMBGGBDCR-UHFFFAOYSA-N -1 3 339.790 2.466 20 30 EEEDHM COc1cc(C(=O)N(CC#N)c2ccccc2)ccc1-c1nnn[n-]1 ZINC001605192324 1351100158 /nfs/dbraw/zinc/10/01/58/1351100158.db2.gz LJABUDBCIGDVII-UHFFFAOYSA-N -1 3 334.339 2.046 20 30 EEEDHM COc1cc(C(=O)N(CC#N)c2ccccc2)ccc1-c1nn[n-]n1 ZINC001605192324 1351100162 /nfs/dbraw/zinc/10/01/62/1351100162.db2.gz LJABUDBCIGDVII-UHFFFAOYSA-N -1 3 334.339 2.046 20 30 EEEDHM COc1cc(OCc2ccc(-c3nnn[n-]3)cc2OC)ccc1C#N ZINC001605237023 1351112800 /nfs/dbraw/zinc/11/28/00/1351112800.db2.gz SQCSTCKFGIMNKY-UHFFFAOYSA-N -1 3 337.339 2.335 20 30 EEEDHM COc1cc(OCc2ccc(-c3nn[n-]n3)cc2OC)ccc1C#N ZINC001605237023 1351112803 /nfs/dbraw/zinc/11/28/03/1351112803.db2.gz SQCSTCKFGIMNKY-UHFFFAOYSA-N -1 3 337.339 2.335 20 30 EEEDHM Cc1nsc(C)c1CSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC001606139557 1351278015 /nfs/dbraw/zinc/27/80/15/1351278015.db2.gz PSEURSALVJEZKM-UHFFFAOYSA-N -1 3 344.429 2.081 20 30 EEEDHM Cc1nsc(C)c1CSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC001606139557 1351278018 /nfs/dbraw/zinc/27/80/18/1351278018.db2.gz PSEURSALVJEZKM-UHFFFAOYSA-N -1 3 344.429 2.081 20 30 EEEDHM N#CCC1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001606345643 1351295891 /nfs/dbraw/zinc/29/58/91/1351295891.db2.gz GVWBGDMOOHBNBR-UHFFFAOYSA-N -1 3 329.339 2.163 20 30 EEEDHM N#CCC1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001606345643 1351295894 /nfs/dbraw/zinc/29/58/94/1351295894.db2.gz GVWBGDMOOHBNBR-UHFFFAOYSA-N -1 3 329.339 2.163 20 30 EEEDHM N#Cc1ccc(OC(=O)[C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001606377848 1351298477 /nfs/dbraw/zinc/29/84/77/1351298477.db2.gz SDCKYAFCEQUHAN-HNNXBMFYSA-N -1 3 344.334 2.026 20 30 EEEDHM N#Cc1ccc(OC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001606377848 1351298482 /nfs/dbraw/zinc/29/84/82/1351298482.db2.gz SDCKYAFCEQUHAN-HNNXBMFYSA-N -1 3 344.334 2.026 20 30 EEEDHM N#Cc1ccnc(SCC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001606389344 1351300391 /nfs/dbraw/zinc/30/03/91/1351300391.db2.gz OUIXMJXKCSNNFT-UHFFFAOYSA-N -1 3 336.380 2.037 20 30 EEEDHM N#Cc1ccnc(SCC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001606389344 1351300392 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COCc1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)no1 ZINC001591455584 1403912730 /nfs/dbraw/zinc/91/27/30/1403912730.db2.gz LDQJEUVIAMDCNN-UHFFFAOYSA-N -1 3 333.739 2.101 20 30 EEEDHM Cc1ccnc(N2CCc3c(CC#N)cccc3C2)c1-c1nnn[n-]1 ZINC001592273933 1404015900 /nfs/dbraw/zinc/01/59/00/1404015900.db2.gz UVINWBWEHQKYLW-UHFFFAOYSA-N -1 3 331.383 2.199 20 30 EEEDHM Cc1ccnc(N2CCc3c(CC#N)cccc3C2)c1-c1nn[n-]n1 ZINC001592273933 1404015905 /nfs/dbraw/zinc/01/59/05/1404015905.db2.gz UVINWBWEHQKYLW-UHFFFAOYSA-N -1 3 331.383 2.199 20 30 EEEDHM N#CCCOCCSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001592678010 1404712990 /nfs/dbraw/zinc/71/29/90/1404712990.db2.gz LRULDHFEBMUBHS-UHFFFAOYSA-N -1 3 330.417 2.163 20 30 EEEDHM N#CCCOCCSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001592678010 1404712993 /nfs/dbraw/zinc/71/29/93/1404712993.db2.gz LRULDHFEBMUBHS-UHFFFAOYSA-N -1 3 330.417 2.163 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1ccc2c(=O)cc[nH]c2c1 ZINC001592699457 1404717887 /nfs/dbraw/zinc/71/78/87/1404717887.db2.gz 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EEEDHM N#CCc1ccccc1CC(=O)N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001581859242 1344680459 /nfs/dbraw/zinc/68/04/59/1344680459.db2.gz CFAHTPYZZFJAMS-UHFFFAOYSA-N -1 3 344.378 2.065 20 30 EEEDHM N#CCc1ccccc1CC(=O)N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001581859242 1344680464 /nfs/dbraw/zinc/68/04/64/1344680464.db2.gz CFAHTPYZZFJAMS-UHFFFAOYSA-N -1 3 344.378 2.065 20 30 EEEDHM N#Cc1cc(NC(=O)C2(Oc3ccccc3)CC2)ccc1-c1nnn[n-]1 ZINC001581866546 1344682605 /nfs/dbraw/zinc/68/26/05/1344682605.db2.gz IXZVQVFUWDUHGZ-UHFFFAOYSA-N -1 3 346.350 2.288 20 30 EEEDHM N#Cc1cc(NC(=O)C2(Oc3ccccc3)CC2)ccc1-c1nn[n-]n1 ZINC001581866546 1344682611 /nfs/dbraw/zinc/68/26/11/1344682611.db2.gz IXZVQVFUWDUHGZ-UHFFFAOYSA-N -1 3 346.350 2.288 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H]1Cc2ccccc2CO1 ZINC001581874894 1344684370 /nfs/dbraw/zinc/68/43/70/1344684370.db2.gz MMTIDNUFBWJWIM-HNNXBMFYSA-N -1 3 332.367 2.292 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@H]1Cc2ccccc2CO1 ZINC001581874894 1344684372 /nfs/dbraw/zinc/68/43/72/1344684372.db2.gz MMTIDNUFBWJWIM-HNNXBMFYSA-N -1 3 332.367 2.292 20 30 EEEDHM C#C[C@@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001588329414 1348887684 /nfs/dbraw/zinc/88/76/84/1348887684.db2.gz GBMKSMRWDMWTMK-CQSZACIVSA-N -1 3 326.404 2.056 20 30 EEEDHM C#C[C@@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001588329414 1348887691 /nfs/dbraw/zinc/88/76/91/1348887691.db2.gz GBMKSMRWDMWTMK-CQSZACIVSA-N -1 3 326.404 2.056 20 30 EEEDHM C#C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC)C(C)C ZINC001588329716 1348889217 /nfs/dbraw/zinc/88/92/17/1348889217.db2.gz MERRISSYJSFMHQ-LBPRGKRZSA-N -1 3 328.376 2.045 20 30 EEEDHM C#C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC)C(C)C ZINC001588329716 1348889221 /nfs/dbraw/zinc/88/92/21/1348889221.db2.gz MERRISSYJSFMHQ-LBPRGKRZSA-N -1 3 328.376 2.045 20 30 EEEDHM C#C[C@@H]1CCCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001588332515 1348889621 /nfs/dbraw/zinc/88/96/21/1348889621.db2.gz LQDJRSJQLKGRDC-LLVKDONJSA-N -1 3 349.354 2.315 20 30 EEEDHM C#C[C@@H]1CCCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001588332515 1348889627 /nfs/dbraw/zinc/88/96/27/1348889627.db2.gz LQDJRSJQLKGRDC-LLVKDONJSA-N -1 3 349.354 2.315 20 30 EEEDHM C#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1)c1ccccc1 ZINC001588329918 1348889962 /nfs/dbraw/zinc/88/99/62/1348889962.db2.gz QRKYTGBWZVQVPJ-QGZVFWFLSA-N -1 3 346.394 2.037 20 30 EEEDHM C#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1)c1ccccc1 ZINC001588329918 1348889966 /nfs/dbraw/zinc/88/99/66/1348889966.db2.gz QRKYTGBWZVQVPJ-QGZVFWFLSA-N -1 3 346.394 2.037 20 30 EEEDHM C#CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001588351914 1348894874 /nfs/dbraw/zinc/89/48/74/1348894874.db2.gz PLPYOIMQOBVFBG-KRWDZBQOSA-N -1 3 330.351 2.066 20 30 EEEDHM C#CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001588351914 1348894881 /nfs/dbraw/zinc/89/48/81/1348894881.db2.gz PLPYOIMQOBVFBG-KRWDZBQOSA-N -1 3 330.351 2.066 20 30 EEEDHM C=C(C)C[C@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588404018 1348900916 /nfs/dbraw/zinc/90/09/16/1348900916.db2.gz CEFCVIQICKYXIV-JTQLQIEISA-N -1 3 331.332 2.420 20 30 EEEDHM C=C(C)C[C@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588404018 1348900919 /nfs/dbraw/zinc/90/09/19/1348900919.db2.gz CEFCVIQICKYXIV-JTQLQIEISA-N -1 3 331.332 2.420 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N[C@H](C)CNc1snc(C)c1-c1nnn[n-]1 ZINC001588402931 1348901545 /nfs/dbraw/zinc/90/15/45/1348901545.db2.gz PWZQSGHVYSVZNZ-SECBINFHSA-N -1 3 349.464 2.151 20 30 EEEDHM C=C(C)CCC(=O)NC[C@H](CC)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001588415745 1348903407 /nfs/dbraw/zinc/90/34/07/1348903407.db2.gz PRCDSTYDHKBFEE-LBPRGKRZSA-N -1 3 347.398 2.064 20 30 EEEDHM C=C(C)CCC(=O)NC[C@H](CC)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001588415745 1348903409 /nfs/dbraw/zinc/90/34/09/1348903409.db2.gz PRCDSTYDHKBFEE-LBPRGKRZSA-N -1 3 347.398 2.064 20 30 EEEDHM C=C1CCC(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)c(C)c2)CC1 ZINC001588462061 1348906771 /nfs/dbraw/zinc/90/67/71/1348906771.db2.gz BYFMXNZRECNHJI-UHFFFAOYSA-N -1 3 347.444 2.200 20 30 EEEDHM C=C1CCC(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)c(C)c2)CC1 ZINC001588462061 1348906773 /nfs/dbraw/zinc/90/67/73/1348906773.db2.gz BYFMXNZRECNHJI-UHFFFAOYSA-N -1 3 347.444 2.200 20 30 EEEDHM C=CC(C)(C)C(=O)NC[C@@H](CC)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588474918 1348906847 /nfs/dbraw/zinc/90/68/47/1348906847.db2.gz KYUWAAIABURLDK-SNVBAGLBSA-N -1 3 349.464 2.151 20 30 EEEDHM C=C[C@@H](COC)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001588525223 1348912787 /nfs/dbraw/zinc/91/27/87/1348912787.db2.gz DFDIMHIZXVVXTJ-ZDUSSCGKSA-N -1 3 349.394 2.465 20 30 EEEDHM C=C[C@@H](COC)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001588525223 1348912788 /nfs/dbraw/zinc/91/27/88/1348912788.db2.gz DFDIMHIZXVVXTJ-ZDUSSCGKSA-N -1 3 349.394 2.465 20 30 EEEDHM C=CCCCC(=O)N[C@@H](C)C[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001588586809 1348920993 /nfs/dbraw/zinc/92/09/93/1348920993.db2.gz NASITPSOZBJVEG-QWHCGFSZSA-N -1 3 343.435 2.313 20 30 EEEDHM C=CCCCC(=O)N[C@@H](C)C[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001588586809 1348920996 /nfs/dbraw/zinc/92/09/96/1348920996.db2.gz NASITPSOZBJVEG-QWHCGFSZSA-N -1 3 343.435 2.313 20 30 EEEDHM C=CCN(Cc1noc(CC)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588652174 1348927299 /nfs/dbraw/zinc/92/72/99/1348927299.db2.gz MLYIXTGFKNJBKH-UHFFFAOYSA-N -1 3 325.376 2.000 20 30 EEEDHM C=CCN(Cc1noc(CC)n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588652174 1348927301 /nfs/dbraw/zinc/92/73/01/1348927301.db2.gz MLYIXTGFKNJBKH-UHFFFAOYSA-N -1 3 325.376 2.000 20 30 EEEDHM CC(=NOCc1ccc(Cl)cc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001588782233 1348936571 /nfs/dbraw/zinc/93/65/71/1348936571.db2.gz QJRGJJASLFHLKB-UHFFFAOYSA-N -1 3 331.767 2.194 20 30 EEEDHM CC(=NOCc1ccc(Cl)cc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001588782233 1348936574 /nfs/dbraw/zinc/93/65/74/1348936574.db2.gz QJRGJJASLFHLKB-UHFFFAOYSA-N -1 3 331.767 2.194 20 30 EEEDHM CC(C)(C#N)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001589036005 1348953722 /nfs/dbraw/zinc/95/37/22/1348953722.db2.gz IJKHOAUEONXVNQ-UHFFFAOYSA-N -1 3 333.355 2.315 20 30 EEEDHM CC(C)(C#N)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001589036005 1348953728 /nfs/dbraw/zinc/95/37/28/1348953728.db2.gz IJKHOAUEONXVNQ-UHFFFAOYSA-N -1 3 333.355 2.315 20 30 EEEDHM C[C@H](CC#N)C(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001589786211 1349041875 /nfs/dbraw/zinc/04/18/75/1349041875.db2.gz FWNODDVXJXFMMK-KCJUWKMLSA-N -1 3 338.293 2.136 20 30 EEEDHM C[C@H](CC#N)C(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001589786211 1349041878 /nfs/dbraw/zinc/04/18/78/1349041878.db2.gz FWNODDVXJXFMMK-KCJUWKMLSA-N -1 3 338.293 2.136 20 30 EEEDHM CC1(C)C[C@H](NN=Cc2ccc(-c3nnn[n-]3)c(F)c2)C(C)(C)O1 ZINC001590083945 1349144871 /nfs/dbraw/zinc/14/48/71/1349144871.db2.gz PSACOUJMPUYGBX-ZDUSSCGKSA-N -1 3 332.383 2.275 20 30 EEEDHM CC1(C)C[C@H](NN=Cc2ccc(-c3nn[n-]n3)c(F)c2)C(C)(C)O1 ZINC001590083945 1349144882 /nfs/dbraw/zinc/14/48/82/1349144882.db2.gz PSACOUJMPUYGBX-ZDUSSCGKSA-N -1 3 332.383 2.275 20 30 EEEDHM CCC(=NNC(=S)NC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590359242 1349283269 /nfs/dbraw/zinc/28/32/69/1349283269.db2.gz VNZNRBICSZMLFZ-UHFFFAOYSA-N -1 3 331.449 2.243 20 30 EEEDHM CCC(=NNC(=S)NC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590359242 1349283276 /nfs/dbraw/zinc/28/32/76/1349283276.db2.gz VNZNRBICSZMLFZ-UHFFFAOYSA-N -1 3 331.449 2.243 20 30 EEEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C#N)n1C ZINC001590629761 1349381031 /nfs/dbraw/zinc/38/10/31/1349381031.db2.gz KIOFSLUILPROML-UHFFFAOYSA-N -1 3 349.398 2.129 20 30 EEEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C#N)n1C ZINC001590629761 1349381039 /nfs/dbraw/zinc/38/10/39/1349381039.db2.gz KIOFSLUILPROML-UHFFFAOYSA-N -1 3 349.398 2.129 20 30 EEEDHM CN(C(=O)c1ccc2c(C#N)c[nH]c2c1)c1cccc(-c2nnn[n-]2)c1 ZINC001590993423 1349428770 /nfs/dbraw/zinc/42/87/70/1349428770.db2.gz CUEGYSCXJGDBIZ-UHFFFAOYSA-N -1 3 343.350 2.496 20 30 EEEDHM CN(C(=O)c1ccc2c(C#N)c[nH]c2c1)c1cccc(-c2nn[n-]n2)c1 ZINC001590993423 1349428772 /nfs/dbraw/zinc/42/87/72/1349428772.db2.gz CUEGYSCXJGDBIZ-UHFFFAOYSA-N -1 3 343.350 2.496 20 30 EEEDHM COC(=O)Cc1cccc(Nc2c(C#N)cccc2-c2nnn[n-]2)c1 ZINC001591271321 1349455219 /nfs/dbraw/zinc/45/52/19/1349455219.db2.gz GCBAYINKRSJUHO-UHFFFAOYSA-N -1 3 334.339 2.197 20 30 EEEDHM COC(=O)Cc1cccc(Nc2c(C#N)cccc2-c2nn[n-]n2)c1 ZINC001591271321 1349455231 /nfs/dbraw/zinc/45/52/31/1349455231.db2.gz GCBAYINKRSJUHO-UHFFFAOYSA-N -1 3 334.339 2.197 20 30 EEEDHM COc1c(O)cccc1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001591479772 1349489706 /nfs/dbraw/zinc/48/97/06/1349489706.db2.gz YPAKOZMTTJBYTI-JYRVWZFOSA-N -1 3 334.335 2.403 20 30 EEEDHM COc1c(O)cccc1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001591479772 1349489714 /nfs/dbraw/zinc/48/97/14/1349489714.db2.gz YPAKOZMTTJBYTI-JYRVWZFOSA-N -1 3 334.335 2.403 20 30 EEEDHM Cn1cc(Nc2nc3c(c(C#N)c2-c2nnn[n-]2)CCCCCC3)cn1 ZINC001592574391 1349660301 /nfs/dbraw/zinc/66/03/01/1349660301.db2.gz HBAQPEVVHHUEQT-UHFFFAOYSA-N -1 3 349.402 2.269 20 30 EEEDHM FC(F)(F)CCON=C1CCCc2cc(-c3nnn[n-]3)cnc21 ZINC001592614794 1349672359 /nfs/dbraw/zinc/67/23/59/1349672359.db2.gz AGADDFLUQYEPJI-UHFFFAOYSA-N -1 3 326.282 2.271 20 30 EEEDHM FC(F)(F)CCON=C1CCCc2cc(-c3nn[n-]n3)cnc21 ZINC001592614794 1349672362 /nfs/dbraw/zinc/67/23/62/1349672362.db2.gz AGADDFLUQYEPJI-UHFFFAOYSA-N -1 3 326.282 2.271 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1Oc1ccc(-n2cncn2)cc1 ZINC001592700657 1349708758 /nfs/dbraw/zinc/70/87/58/1349708758.db2.gz OGJBBJZVZBSOEU-UHFFFAOYSA-N -1 3 330.311 2.111 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1Oc1ccc(-n2cncn2)cc1 ZINC001592700657 1349708760 /nfs/dbraw/zinc/70/87/60/1349708760.db2.gz OGJBBJZVZBSOEU-UHFFFAOYSA-N -1 3 330.311 2.111 20 30 EEEDHM C#C[C@@H](NC(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)C(C)C ZINC001602688203 1350573173 /nfs/dbraw/zinc/57/31/73/1350573173.db2.gz HQOWRYIDXAWJGR-CVEARBPZSA-N -1 3 338.415 2.201 20 30 EEEDHM C#C[C@@H](NC(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)C(C)C ZINC001602688203 1350573176 /nfs/dbraw/zinc/57/31/76/1350573176.db2.gz HQOWRYIDXAWJGR-CVEARBPZSA-N -1 3 338.415 2.201 20 30 EEEDHM C#CC[C@@H]1CCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC001602699627 1350575804 /nfs/dbraw/zinc/57/58/04/1350575804.db2.gz JPJHDBJZIBRTLB-GFCCVEGCSA-N -1 3 341.419 2.300 20 30 EEEDHM C#CC[C@@H]1CCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC001602699627 1350575807 /nfs/dbraw/zinc/57/58/07/1350575807.db2.gz JPJHDBJZIBRTLB-GFCCVEGCSA-N -1 3 341.419 2.300 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001602751077 1350581364 /nfs/dbraw/zinc/58/13/64/1350581364.db2.gz ADWWKQUZYICZRQ-LBPRGKRZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001602751077 1350581368 /nfs/dbraw/zinc/58/13/68/1350581368.db2.gz ADWWKQUZYICZRQ-LBPRGKRZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC001602752482 1350581573 /nfs/dbraw/zinc/58/15/73/1350581573.db2.gz CFRYJOMFYPLTDN-YVEFUNNKSA-N -1 3 336.399 2.230 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC001602752482 1350581578 /nfs/dbraw/zinc/58/15/78/1350581578.db2.gz CFRYJOMFYPLTDN-YVEFUNNKSA-N -1 3 336.399 2.230 20 30 EEEDHM C=C[C@@H](CC)CC(=O)NCCNc1cccc(F)c1-c1nnn[n-]1 ZINC001602801833 1350588306 /nfs/dbraw/zinc/58/83/06/1350588306.db2.gz WYEGSQODVATGPH-NSHDSACASA-N -1 3 332.383 2.136 20 30 EEEDHM C=C[C@@H](CC)CC(=O)NCCNc1cccc(F)c1-c1nn[n-]n1 ZINC001602801833 1350588307 /nfs/dbraw/zinc/58/83/07/1350588307.db2.gz WYEGSQODVATGPH-NSHDSACASA-N -1 3 332.383 2.136 20 30 EEEDHM C=CCC(C)(C)CN[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC001602809940 1350589499 /nfs/dbraw/zinc/58/94/99/1350589499.db2.gz XZXHDFNBAOADAL-AWEZNQCLSA-N -1 3 329.404 2.273 20 30 EEEDHM C=CCC(C)(C)CN[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC001602809940 1350589502 /nfs/dbraw/zinc/58/95/02/1350589502.db2.gz XZXHDFNBAOADAL-AWEZNQCLSA-N -1 3 329.404 2.273 20 30 EEEDHM C=CCCC(=O)N[C@@H](C)C[C@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001602824629 1350592044 /nfs/dbraw/zinc/59/20/44/1350592044.db2.gz PWXLCGQKHIVKTK-STQMWFEESA-N -1 3 343.435 2.232 20 30 EEEDHM C=CCCC(=O)N[C@@H](C)C[C@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001602824629 1350592047 /nfs/dbraw/zinc/59/20/47/1350592047.db2.gz PWXLCGQKHIVKTK-STQMWFEESA-N -1 3 343.435 2.232 20 30 EEEDHM C=CCCCC(=O)N[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001602834141 1350594134 /nfs/dbraw/zinc/59/41/34/1350594134.db2.gz IBDPTBPMJIOVHM-SNVBAGLBSA-N -1 3 349.826 2.188 20 30 EEEDHM C=CCCCC(=O)N[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001602834141 1350594140 /nfs/dbraw/zinc/59/41/40/1350594140.db2.gz IBDPTBPMJIOVHM-SNVBAGLBSA-N -1 3 349.826 2.188 20 30 EEEDHM C[C@@H](C#N)CN(C)c1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1 ZINC001602984259 1350618121 /nfs/dbraw/zinc/61/81/21/1350618121.db2.gz VMEQMICSYLANPU-NSHDSACASA-N -1 3 336.359 2.045 20 30 EEEDHM C[C@@H](C#N)CN(C)c1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1 ZINC001602984259 1350618125 /nfs/dbraw/zinc/61/81/25/1350618125.db2.gz VMEQMICSYLANPU-NSHDSACASA-N -1 3 336.359 2.045 20 30 EEEDHM C[C@H](C#N)N(C(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001602988557 1350619623 /nfs/dbraw/zinc/61/96/23/1350619623.db2.gz ICIDWEHSYJISCI-LLVKDONJSA-N -1 3 342.428 2.003 20 30 EEEDHM C[C@H](C#N)N(C(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001602988557 1350619628 /nfs/dbraw/zinc/61/96/28/1350619628.db2.gz ICIDWEHSYJISCI-LLVKDONJSA-N -1 3 342.428 2.003 20 30 EEEDHM C[C@@H](CC(=O)OC(C)(C)C)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001603449137 1350706881 /nfs/dbraw/zinc/70/68/81/1350706881.db2.gz NFGIWLMSUQPQSD-JTQLQIEISA-N -1 3 328.376 2.271 20 30 EEEDHM C[C@@H](CC(=O)OC(C)(C)C)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001603449137 1350706883 /nfs/dbraw/zinc/70/68/83/1350706883.db2.gz NFGIWLMSUQPQSD-JTQLQIEISA-N -1 3 328.376 2.271 20 30 EEEDHM CCCN1c2ccccc2C(=NNc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001604214775 1350894280 /nfs/dbraw/zinc/89/42/80/1350894280.db2.gz JOFCVOGFACBEBD-UHFFFAOYSA-N -1 3 347.382 2.440 20 30 EEEDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ncc(C#N)cc1C ZINC001604359073 1350923181 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COc1cc(NC(=O)c2ccc(C#N)cc2)c(F)cc1-c1nn[n-]n1 ZINC001605231889 1351110712 /nfs/dbraw/zinc/11/07/12/1351110712.db2.gz PXFZKRVWJHLZPM-UHFFFAOYSA-N -1 3 338.302 2.138 20 30 EEEDHM CSc1ccc(CNC(=O)C2(C#N)CCCC2)cc1-c1nnn[n-]1 ZINC001605386804 1351151276 /nfs/dbraw/zinc/15/12/76/1351151276.db2.gz QCUGZAZUMZHMKY-UHFFFAOYSA-N -1 3 342.428 2.289 20 30 EEEDHM CSc1ccc(CNC(=O)C2(C#N)CCCC2)cc1-c1nn[n-]n1 ZINC001605386804 1351151279 /nfs/dbraw/zinc/15/12/79/1351151279.db2.gz QCUGZAZUMZHMKY-UHFFFAOYSA-N -1 3 342.428 2.289 20 30 EEEDHM N#Cc1ccsc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC001606389616 1351300741 /nfs/dbraw/zinc/30/07/41/1351300741.db2.gz BTSPNDRAPGMEBN-UHFFFAOYSA-N -1 3 329.316 2.296 20 30 EEEDHM N#Cc1ccsc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC001606389616 1351300746 /nfs/dbraw/zinc/30/07/46/1351300746.db2.gz BTSPNDRAPGMEBN-UHFFFAOYSA-N -1 3 329.316 2.296 20 30 EEEDHM c1cc2c(cc1-c1nnn[n-]1)CCCCC2=NOC[C@@H]1CCOC1 ZINC001607124056 1351428020 /nfs/dbraw/zinc/42/80/20/1351428020.db2.gz 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N#CCCCCOC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001606348447 1404800605 /nfs/dbraw/zinc/80/06/05/1404800605.db2.gz VJWSNHQXFCFXGU-UHFFFAOYSA-N -1 3 331.401 2.337 20 30 EEEDHM N#CCCCCOC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001606348447 1404800618 /nfs/dbraw/zinc/80/06/18/1404800618.db2.gz VJWSNHQXFCFXGU-UHFFFAOYSA-N -1 3 331.401 2.337 20 30 EEEDHM N#Cc1ccc(C(=O)N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001606367334 1404804117 /nfs/dbraw/zinc/80/41/17/1404804117.db2.gz FBKKPXOLUFSIIQ-INIZCTEOSA-N -1 3 330.351 2.156 20 30 EEEDHM N#Cc1ccc(C(=O)N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001606367334 1404804119 /nfs/dbraw/zinc/80/41/19/1404804119.db2.gz FBKKPXOLUFSIIQ-INIZCTEOSA-N -1 3 330.351 2.156 20 30 EEEDHM CC(C)[C@@H](CCNC(=O)c1ccccc1[O-])NC(=O)C#CC1CC1 ZINC001756384543 1408391533 /nfs/dbraw/zinc/39/15/33/1408391533.db2.gz FRNBGYZXBBWFHB-MRXNPFEDSA-N -1 3 328.412 2.066 20 30 EEEDHM N#Cc1ccc(NC2(CNC(=O)c3ccccc3[O-])CCCC2)nn1 ZINC001104366815 759821491 /nfs/dbraw/zinc/82/14/91/759821491.db2.gz UVPQSXFHNRBGNW-UHFFFAOYSA-N -1 3 337.383 2.209 20 30 EEEDHM C=C(Cl)CN1CC(C)(C)CC[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC001089656954 773998164 /nfs/dbraw/zinc/99/81/64/773998164.db2.gz PQJCAFLSMZOTOC-LBPRGKRZSA-N -1 3 338.839 2.155 20 30 EEEDHM N#Cc1cncc(N2CC=C(CCNC(=O)c3ccccc3[O-])CC2)n1 ZINC001089812185 776234119 /nfs/dbraw/zinc/23/41/19/776234119.db2.gz RNHKFANQGGFSPA-UHFFFAOYSA-N -1 3 349.394 2.010 20 30 EEEDHM C=C1CC(C)(C(=O)NC[C@H]2C[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC001091510035 791023522 /nfs/dbraw/zinc/02/35/22/791023522.db2.gz QWWDWJBZOMGTTP-HAQNSBGRSA-N -1 3 346.387 2.358 20 30 EEEDHM CCOc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1OC ZINC000138966463 791083798 /nfs/dbraw/zinc/08/37/98/791083798.db2.gz MBHXNKNFEUUYQO-CYBMUJFWSA-N -1 3 339.351 2.450 20 30 EEEDHM C=CCN(CC(=O)[O-])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000908807111 785739341 /nfs/dbraw/zinc/73/93/41/785739341.db2.gz MCXFZORQDMDNCQ-UHFFFAOYSA-N -1 3 345.443 2.106 20 30 EEEDHM C=CCCCC(=O)NCC1=CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001127740583 786588240 /nfs/dbraw/zinc/58/82/40/786588240.db2.gz KAQSGQPEPGSRCU-UHFFFAOYSA-N -1 3 346.387 2.304 20 30 EEEDHM COC(=O)c1ccc(C(C)=NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821668752 786836872 /nfs/dbraw/zinc/83/68/72/786836872.db2.gz HDXLXMKECUEWIK-UHFFFAOYSA-N -1 3 336.355 2.489 20 30 EEEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCC1(C#N)CC1 ZINC000824206938 788085205 /nfs/dbraw/zinc/08/52/05/788085205.db2.gz MDNVWSCEHBUORR-AWEZNQCLSA-N -1 3 341.371 2.117 20 30 EEEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCC1(C#N)CC1 ZINC000824206938 788085209 /nfs/dbraw/zinc/08/52/09/788085209.db2.gz MDNVWSCEHBUORR-AWEZNQCLSA-N -1 3 341.371 2.117 20 30 EEEDHM N#Cc1cnccc1NC[C@H]1CCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001064055849 792219889 /nfs/dbraw/zinc/21/98/89/792219889.db2.gz GZBOEOIFXBEPBV-CXAGYDPISA-N -1 3 336.395 2.091 20 30 EEEDHM N#Cc1ccc(N2CC[C@@]3(CCN(C(=O)c4ccccc4[O-])C3)C2)nc1 ZINC001064598185 793455158 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C#CCN(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001588348207 1348894223 /nfs/dbraw/zinc/89/42/23/1348894223.db2.gz LUMBROBUAWFWAS-UHFFFAOYSA-N -1 3 328.351 2.416 20 30 EEEDHM C#CCn1ccc(CN(CC)[C@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC001588364217 1348896164 /nfs/dbraw/zinc/89/61/64/1348896164.db2.gz ZSSMKQPVDYSNBF-CQSZACIVSA-N -1 3 335.415 2.280 20 30 EEEDHM C=C(C)C(C)(C)C(=O)NCCCNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588396983 1348900160 /nfs/dbraw/zinc/90/01/60/1348900160.db2.gz STHKMJVOPAWKJM-UHFFFAOYSA-N -1 3 343.435 2.091 20 30 EEEDHM C=C(C)C(C)(C)C(=O)NCCCNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588396983 1348900162 /nfs/dbraw/zinc/90/01/62/1348900162.db2.gz STHKMJVOPAWKJM-UHFFFAOYSA-N -1 3 343.435 2.091 20 30 EEEDHM C=C(C)CCC(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001588415028 1348902679 /nfs/dbraw/zinc/90/26/79/1348902679.db2.gz AWCYELHYGXVCHK-AWEZNQCLSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C(C)CCC(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001588415028 1348902683 /nfs/dbraw/zinc/90/26/83/1348902683.db2.gz AWCYELHYGXVCHK-AWEZNQCLSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@H](CC)CC(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588518349 1348911513 /nfs/dbraw/zinc/91/15/13/1348911513.db2.gz ASZJBEBINRPAPA-QWHCGFSZSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@H](CC)CC(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588518349 1348911516 /nfs/dbraw/zinc/91/15/16/1348911516.db2.gz ASZJBEBINRPAPA-QWHCGFSZSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@H](CC)CC(=O)N1CCO[C@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588521832 1348912418 /nfs/dbraw/zinc/91/24/18/1348912418.db2.gz UJCSFSKJVBONHJ-CJNGLKHVSA-N -1 3 341.415 2.369 20 30 EEEDHM C=C[C@H](CC)CC(=O)N1CCO[C@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588521832 1348912420 /nfs/dbraw/zinc/91/24/20/1348912420.db2.gz UJCSFSKJVBONHJ-CJNGLKHVSA-N -1 3 341.415 2.369 20 30 EEEDHM C=CC1CCN(C(=O)c2ccn(-c3cccc(-c4nnn[n-]4)c3)n2)CC1 ZINC001588527280 1348913200 /nfs/dbraw/zinc/91/32/00/1348913200.db2.gz FSHNGPOAFXXZGD-UHFFFAOYSA-N -1 3 349.398 2.091 20 30 EEEDHM C=CC1CCN(C(=O)c2ccn(-c3cccc(-c4nn[n-]n4)c3)n2)CC1 ZINC001588527280 1348913205 /nfs/dbraw/zinc/91/32/05/1348913205.db2.gz FSHNGPOAFXXZGD-UHFFFAOYSA-N -1 3 349.398 2.091 20 30 EEEDHM C=CCC(C)(C)C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001588539360 1348914468 /nfs/dbraw/zinc/91/44/68/1348914468.db2.gz IKAWAHXIWXDBRR-UHFFFAOYSA-N -1 3 335.389 2.012 20 30 EEEDHM C=CCC(C)(C)C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001588539360 1348914471 /nfs/dbraw/zinc/91/44/71/1348914471.db2.gz IKAWAHXIWXDBRR-UHFFFAOYSA-N -1 3 335.389 2.012 20 30 EEEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001588564927 1348917825 /nfs/dbraw/zinc/91/78/25/1348917825.db2.gz UYBQFASULMHGSB-OAHLLOKOSA-N -1 3 339.399 2.315 20 30 EEEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001588564927 1348917827 /nfs/dbraw/zinc/91/78/27/1348917827.db2.gz UYBQFASULMHGSB-OAHLLOKOSA-N -1 3 339.399 2.315 20 30 EEEDHM C=CCCC(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588571174 1348919196 /nfs/dbraw/zinc/91/91/96/1348919196.db2.gz UPVDECVYAQNTEU-UONOGXRCSA-N -1 3 341.419 2.067 20 30 EEEDHM C=CCCC(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588571174 1348919199 /nfs/dbraw/zinc/91/91/99/1348919199.db2.gz UPVDECVYAQNTEU-UONOGXRCSA-N -1 3 341.419 2.067 20 30 EEEDHM C=CCCC[C@H]1NC(=O)N([C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC001588593957 1348922179 /nfs/dbraw/zinc/92/21/79/1348922179.db2.gz NJNQSHACYLHMLZ-SMDDNHRTSA-N -1 3 340.387 2.204 20 30 EEEDHM C=CCCC[C@H]1NC(=O)N([C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC001588593957 1348922181 /nfs/dbraw/zinc/92/21/81/1348922181.db2.gz NJNQSHACYLHMLZ-SMDDNHRTSA-N -1 3 340.387 2.204 20 30 EEEDHM C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588608440 1348922987 /nfs/dbraw/zinc/92/29/87/1348922987.db2.gz MGPDEUTWXFHINA-BLLLJJGKSA-N -1 3 341.415 2.342 20 30 EEEDHM C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588608440 1348922990 /nfs/dbraw/zinc/92/29/90/1348922990.db2.gz MGPDEUTWXFHINA-BLLLJJGKSA-N -1 3 341.415 2.342 20 30 EEEDHM C=CCN(C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)[C@H](C)COC ZINC001588625732 1348924347 /nfs/dbraw/zinc/92/43/47/1348924347.db2.gz OBEZYZUVRYBQEZ-SNVBAGLBSA-N -1 3 334.355 2.061 20 30 EEEDHM C=CCN(C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)[C@H](C)COC ZINC001588625732 1348924349 /nfs/dbraw/zinc/92/43/49/1348924349.db2.gz OBEZYZUVRYBQEZ-SNVBAGLBSA-N -1 3 334.355 2.061 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1CCSC1=S ZINC001588649195 1348927572 /nfs/dbraw/zinc/92/75/72/1348927572.db2.gz WHUNINYBUNNMMX-UHFFFAOYSA-N -1 3 346.485 2.146 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1CCSC1=S ZINC001588649195 1348927577 /nfs/dbraw/zinc/92/75/77/1348927577.db2.gz WHUNINYBUNNMMX-UHFFFAOYSA-N -1 3 346.485 2.146 20 30 EEEDHM C=CCN1CCC(Nc2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001588657408 1348928107 /nfs/dbraw/zinc/92/81/07/1348928107.db2.gz LXILCHUBQQETTO-UHFFFAOYSA-N -1 3 325.829 2.039 20 30 EEEDHM C=CCOc1ccc(CNCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001588689341 1348929400 /nfs/dbraw/zinc/92/94/00/1348929400.db2.gz FOVPWXCOONQZOB-UHFFFAOYSA-N -1 3 328.401 2.178 20 30 EEEDHM C=CCOc1ccc(CNCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001588689341 1348929404 /nfs/dbraw/zinc/92/94/04/1348929404.db2.gz FOVPWXCOONQZOB-UHFFFAOYSA-N -1 3 328.401 2.178 20 30 EEEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)[nH]2)nnc1N1CCC[C@H]1CC ZINC001588697124 1348930003 /nfs/dbraw/zinc/93/00/03/1348930003.db2.gz SAWGPVIQOQAXLB-LLVKDONJSA-N -1 3 339.407 2.018 20 30 EEEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)[nH]2)nnc1N1CCC[C@H]1CC ZINC001588697124 1348930006 /nfs/dbraw/zinc/93/00/06/1348930006.db2.gz SAWGPVIQOQAXLB-LLVKDONJSA-N -1 3 339.407 2.018 20 30 EEEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C#N)o1 ZINC001590639293 1349381973 /nfs/dbraw/zinc/38/19/73/1349381973.db2.gz NDXJOGXINOHLJN-UHFFFAOYSA-N -1 3 337.343 2.406 20 30 EEEDHM COc1cccc2c1OC[C@H](Nc1c(C#N)cccc1-c1nnn[n-]1)C2 ZINC001591643491 1349520590 /nfs/dbraw/zinc/52/05/90/1349520590.db2.gz MHESVVGCZCKZFI-CYBMUJFWSA-N -1 3 348.366 2.163 20 30 EEEDHM COc1cccc2c1OC[C@H](Nc1c(C#N)cccc1-c1nn[n-]n1)C2 ZINC001591643491 1349520600 /nfs/dbraw/zinc/52/06/00/1349520600.db2.gz MHESVVGCZCKZFI-CYBMUJFWSA-N -1 3 348.366 2.163 20 30 EEEDHM C[C@@H]1CC=CC[C@H]1NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591732052 1349536895 /nfs/dbraw/zinc/53/68/95/1349536895.db2.gz CUWIOXQMXHIMTQ-UHOFOFEASA-N -1 3 336.399 2.020 20 30 EEEDHM Cc1cc(NC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)cc(-c2nnn[n-]2)c1 ZINC001592019207 1349582781 /nfs/dbraw/zinc/58/27/81/1349582781.db2.gz FIKTXXOYQXFOQL-BXUZGUMPSA-N -1 3 325.376 2.331 20 30 EEEDHM Cc1cc(NC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)cc(-c2nn[n-]n2)c1 ZINC001592019207 1349582788 /nfs/dbraw/zinc/58/27/88/1349582788.db2.gz FIKTXXOYQXFOQL-BXUZGUMPSA-N -1 3 325.376 2.331 20 30 EEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001592341224 1349623054 /nfs/dbraw/zinc/62/30/54/1349623054.db2.gz STHNMJSIRAETMW-UHFFFAOYSA-N -1 3 333.277 2.310 20 30 EEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001592341224 1349623055 /nfs/dbraw/zinc/62/30/55/1349623055.db2.gz STHNMJSIRAETMW-UHFFFAOYSA-N -1 3 333.277 2.310 20 30 EEEDHM Cn1cc(CN2CCC[C@@H](C#N)C2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001592573830 1349660812 /nfs/dbraw/zinc/66/08/12/1349660812.db2.gz UZBGVAGAZFCOMM-ZDUSSCGKSA-N -1 3 348.414 2.003 20 30 EEEDHM Cn1cc(CN2CCC[C@@H](C#N)C2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001592573830 1349660816 /nfs/dbraw/zinc/66/08/16/1349660816.db2.gz UZBGVAGAZFCOMM-ZDUSSCGKSA-N -1 3 348.414 2.003 20 30 EEEDHM N#Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Cl)[nH]1 ZINC001592691424 1349706218 /nfs/dbraw/zinc/70/62/18/1349706218.db2.gz VHIHKISMDBJRJS-UHFFFAOYSA-N -1 3 328.719 2.077 20 30 EEEDHM N#Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Cl)[nH]1 ZINC001592691424 1349706222 /nfs/dbraw/zinc/70/62/22/1349706222.db2.gz VHIHKISMDBJRJS-UHFFFAOYSA-N -1 3 328.719 2.077 20 30 EEEDHM N#Cc1ccc2nc(NCc3ccc(-c4nnn[n-]4)cn3)ccc2c1 ZINC001592698198 1349708023 /nfs/dbraw/zinc/70/80/23/1349708023.db2.gz NRNMREZNXIMPCU-UHFFFAOYSA-N -1 3 328.339 2.294 20 30 EEEDHM N#Cc1ccc2nc(NCc3ccc(-c4nn[n-]n4)cn3)ccc2c1 ZINC001592698198 1349708029 /nfs/dbraw/zinc/70/80/29/1349708029.db2.gz NRNMREZNXIMPCU-UHFFFAOYSA-N -1 3 328.339 2.294 20 30 EEEDHM N#Cc1ccccc1C=CC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001592702958 1349708514 /nfs/dbraw/zinc/70/85/14/1349708514.db2.gz AWNBOHRZLBQQBA-FPLPWBNLSA-N -1 3 342.362 2.294 20 30 EEEDHM N#Cc1ccccc1C=CC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001592702958 1349708515 /nfs/dbraw/zinc/70/85/15/1349708515.db2.gz AWNBOHRZLBQQBA-FPLPWBNLSA-N -1 3 342.362 2.294 20 30 EEEDHM N#Cc1ccccc1C=CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001592703000 1349708715 /nfs/dbraw/zinc/70/87/15/1349708715.db2.gz CKCWWHPTHKLTHJ-HJWRWDBZSA-N -1 3 330.351 2.068 20 30 EEEDHM N#Cc1ccccc1C=CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001592703000 1349708719 /nfs/dbraw/zinc/70/87/19/1349708719.db2.gz CKCWWHPTHKLTHJ-HJWRWDBZSA-N -1 3 330.351 2.068 20 30 EEEDHM N#Cc1ccccc1C=CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001592702998 1349709290 /nfs/dbraw/zinc/70/92/90/1349709290.db2.gz CKCWWHPTHKLTHJ-CMDGGOBGSA-N -1 3 330.351 2.068 20 30 EEEDHM N#Cc1ccccc1C=CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001592702998 1349709299 /nfs/dbraw/zinc/70/92/99/1349709299.db2.gz CKCWWHPTHKLTHJ-CMDGGOBGSA-N -1 3 330.351 2.068 20 30 EEEDHM O=C(C=Cc1ccccc1-n1cncn1)c1ccccc1-c1nnn[n-]1 ZINC001592799460 1349714445 /nfs/dbraw/zinc/71/44/45/1349714445.db2.gz ITROIPQYQCSHDL-KTKRTIGZSA-N -1 3 343.350 2.344 20 30 EEEDHM O=C(C=Cc1ccccc1-n1cncn1)c1ccccc1-c1nn[n-]n1 ZINC001592799460 1349714450 /nfs/dbraw/zinc/71/44/50/1349714450.db2.gz ITROIPQYQCSHDL-KTKRTIGZSA-N -1 3 343.350 2.344 20 30 EEEDHM O=C1c2ccc(F)cc2OC1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC001593380462 1349794451 /nfs/dbraw/zinc/79/44/51/1349794451.db2.gz QKOKPHAKOHBRJM-MKMNVTDBSA-N -1 3 348.297 2.270 20 30 EEEDHM O=C1c2ccc(F)cc2OC1=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC001593380462 1349794454 /nfs/dbraw/zinc/79/44/54/1349794454.db2.gz QKOKPHAKOHBRJM-MKMNVTDBSA-N -1 3 348.297 2.270 20 30 EEEDHM C#C[C@H](CC)Nc1c(-c2nnn[n-]2)cnc2c(F)c(F)c(F)cc21 ZINC001602689300 1350573591 /nfs/dbraw/zinc/57/35/91/1350573591.db2.gz QKJWKDOLVOJKLF-SSDOTTSWSA-N -1 3 332.289 2.078 20 30 EEEDHM C#C[C@H](CC)Nc1c(-c2nn[n-]n2)cnc2c(F)c(F)c(F)cc21 ZINC001602689300 1350573594 /nfs/dbraw/zinc/57/35/94/1350573594.db2.gz QKJWKDOLVOJKLF-SSDOTTSWSA-N -1 3 332.289 2.078 20 30 EEEDHM C=C[C@H](CC)CC(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001602800733 1350588052 /nfs/dbraw/zinc/58/80/52/1350588052.db2.gz OLXDJYQYAPDEOT-CHWSQXEVSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@H](CC)CC(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001602800733 1350588054 /nfs/dbraw/zinc/58/80/54/1350588054.db2.gz OLXDJYQYAPDEOT-CHWSQXEVSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@H](CC)CC(=O)NCCNc1cccc(F)c1-c1nnn[n-]1 ZINC001602801831 1350588099 /nfs/dbraw/zinc/58/80/99/1350588099.db2.gz WYEGSQODVATGPH-LLVKDONJSA-N -1 3 332.383 2.136 20 30 EEEDHM C=C[C@H](CC)CC(=O)NCCNc1cccc(F)c1-c1nn[n-]n1 ZINC001602801831 1350588102 /nfs/dbraw/zinc/58/81/02/1350588102.db2.gz WYEGSQODVATGPH-LLVKDONJSA-N -1 3 332.383 2.136 20 30 EEEDHM C=CCCCC(=O)N(C)C[C@@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001602832118 1350593141 /nfs/dbraw/zinc/59/31/41/1350593141.db2.gz KLMWSRXWGQJRRN-CYBMUJFWSA-N -1 3 343.435 2.185 20 30 EEEDHM C=CCCCC(=O)N(C)C[C@@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001602832118 1350593143 /nfs/dbraw/zinc/59/31/43/1350593143.db2.gz KLMWSRXWGQJRRN-CYBMUJFWSA-N -1 3 343.435 2.185 20 30 EEEDHM C=CCCCC(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001602833022 1350593219 /nfs/dbraw/zinc/59/32/19/1350593219.db2.gz ZSCOYKODSSRRIX-VXGBXAGGSA-N -1 3 343.435 2.232 20 30 EEEDHM C=CCCCC(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001602833022 1350593222 /nfs/dbraw/zinc/59/32/22/1350593222.db2.gz ZSCOYKODSSRRIX-VXGBXAGGSA-N -1 3 343.435 2.232 20 30 EEEDHM C=C[C@@H]1OCCC[C@H]1Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC001602883551 1350600177 /nfs/dbraw/zinc/60/01/77/1350600177.db2.gz BVPRIIWAWLGMPV-ZJUUUORDSA-N -1 3 340.309 2.426 20 30 EEEDHM C=C[C@@H]1OCCC[C@H]1Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC001602883551 1350600181 /nfs/dbraw/zinc/60/01/81/1350600181.db2.gz BVPRIIWAWLGMPV-ZJUUUORDSA-N -1 3 340.309 2.426 20 30 EEEDHM C=CCOC[C@H](NCc1ccc(Br)cc1OC)C(=O)[O-] ZINC001602914874 1350606124 /nfs/dbraw/zinc/60/61/24/1350606124.db2.gz IZKIMHSJWAUGQR-LBPRGKRZSA-N -1 3 344.205 2.203 20 30 EEEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCC(C)(C)CC#N ZINC001603136081 1350648051 /nfs/dbraw/zinc/64/80/51/1350648051.db2.gz XHVIKIQSCZDKFI-UHFFFAOYSA-N -1 3 344.423 2.485 20 30 EEEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCC(C)(C)CC#N ZINC001603136081 1350648053 /nfs/dbraw/zinc/64/80/53/1350648053.db2.gz XHVIKIQSCZDKFI-UHFFFAOYSA-N -1 3 344.423 2.485 20 30 EEEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCC[C@H](C#N)C1 ZINC001603712436 1350748380 /nfs/dbraw/zinc/74/83/80/1350748380.db2.gz HORYAUZSTOCQMO-SLEUVZQESA-N -1 3 341.371 2.260 20 30 EEEDHM C[C@@]1(C#N)CCN(c2nccc(Oc3cccc(-c4nnn[n-]4)c3)n2)C1 ZINC001603738260 1350756013 /nfs/dbraw/zinc/75/60/13/1350756013.db2.gz ZBOLLTPNYYOMME-KRWDZBQOSA-N -1 3 348.370 2.189 20 30 EEEDHM C[C@@]1(C#N)CCN(c2nccc(Oc3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC001603738260 1350756016 /nfs/dbraw/zinc/75/60/16/1350756016.db2.gz ZBOLLTPNYYOMME-KRWDZBQOSA-N -1 3 348.370 2.189 20 30 EEEDHM CCn1ncc(C=C2CCCc3cc(-c4nnn[n-]4)ccc3C2=O)n1 ZINC001604620197 1350971470 /nfs/dbraw/zinc/97/14/70/1350971470.db2.gz DEDAVIODBGLUAS-XFXZXTDPSA-N -1 3 335.371 2.081 20 30 EEEDHM CCn1ncc(C=C2CCCc3cc(-c4nn[n-]n4)ccc3C2=O)n1 ZINC001604620197 1350971472 /nfs/dbraw/zinc/97/14/72/1350971472.db2.gz DEDAVIODBGLUAS-XFXZXTDPSA-N -1 3 335.371 2.081 20 30 EEEDHM CN(C(=O)c1ccc(C#N)cn1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001604658529 1350979377 /nfs/dbraw/zinc/97/93/77/1350979377.db2.gz MEYWRICQTBXXMX-UHFFFAOYSA-N -1 3 339.746 2.063 20 30 EEEDHM CN(C(=O)c1ccc(C#N)cn1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001604658529 1350979382 /nfs/dbraw/zinc/97/93/82/1350979382.db2.gz MEYWRICQTBXXMX-UHFFFAOYSA-N -1 3 339.746 2.063 20 30 EEEDHM Cc1cc(C)c(-c2nnn[n-]2)c(SC[C@@H](O)CC2(C#N)CC2)n1 ZINC001605637612 1351207859 /nfs/dbraw/zinc/20/78/59/1351207859.db2.gz RKCPUXGUQBKIQK-NSHDSACASA-N -1 3 330.417 2.025 20 30 EEEDHM Cc1cc(C)c(-c2nn[n-]n2)c(SC[C@@H](O)CC2(C#N)CC2)n1 ZINC001605637612 1351207862 /nfs/dbraw/zinc/20/78/62/1351207862.db2.gz RKCPUXGUQBKIQK-NSHDSACASA-N -1 3 330.417 2.025 20 30 EEEDHM N#CCOc1ccc(NC(=O)c2cscc2-c2nnn[n-]2)cc1 ZINC001606351562 1351296854 /nfs/dbraw/zinc/29/68/54/1351296854.db2.gz VVVLFCSVDUZKTM-UHFFFAOYSA-N -1 3 326.341 2.083 20 30 EEEDHM N#CCOc1ccc(NC(=O)c2cscc2-c2nn[n-]n2)cc1 ZINC001606351562 1351296856 /nfs/dbraw/zinc/29/68/56/1351296856.db2.gz VVVLFCSVDUZKTM-UHFFFAOYSA-N -1 3 326.341 2.083 20 30 EEEDHM N#Cc1cc(N2CCc3ccc(-c4nnn[n-]4)cc32)c([N+](=O)[O-])s1 ZINC001606361710 1351297099 /nfs/dbraw/zinc/29/70/99/1351297099.db2.gz YCEYRUIJRSAMLI-UHFFFAOYSA-N -1 3 339.340 2.402 20 30 EEEDHM N#Cc1cc(N2CCc3ccc(-c4nn[n-]n4)cc32)c([N+](=O)[O-])s1 ZINC001606361710 1351297103 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EEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)c1nccs1 ZINC000782547888 1371312949 /nfs/dbraw/zinc/31/29/49/1371312949.db2.gz GRVOYLURXIMNNR-UHFFFAOYSA-N -1 3 345.380 2.091 20 30 EEEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cnn2c1OCCC2 ZINC000796748161 1371463583 /nfs/dbraw/zinc/46/35/83/1371463583.db2.gz QBOGLCKAOZFWKA-LBPRGKRZSA-N -1 3 344.758 2.280 20 30 EEEDHM CN(C(=O)c1ccccc1[O-])[C@H](CNc1ccc(C#N)nn1)C1CC1 ZINC001115472057 1371635840 /nfs/dbraw/zinc/63/58/40/1371635840.db2.gz LLPQSHCWDQHDMM-OAHLLOKOSA-N -1 3 337.383 2.017 20 30 EEEDHM C=CCC1(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CCCCC2)CCC1 ZINC001115712643 1371697735 /nfs/dbraw/zinc/69/77/35/1371697735.db2.gz VIYHFBSNOKSQIL-UHFFFAOYSA-N -1 3 347.463 2.165 20 30 EEEDHM C=CCC[C@H]1CCCN1c1nnc(CCc2nnn[n-]2)n1CC(C)C ZINC001122687369 1372069604 /nfs/dbraw/zinc/06/96/04/1372069604.db2.gz ZIQRLBDIRQTVCG-AWEZNQCLSA-N -1 3 344.467 2.167 20 30 EEEDHM C=CCC[C@H]1CCCN1c1nnc(CCc2nn[n-]n2)n1CC(C)C ZINC001122687369 1372069605 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CCc1nc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)co1 ZINC001424083744 1400904586 /nfs/dbraw/zinc/90/45/86/1400904586.db2.gz ZXFVNOURZZBQNO-UHFFFAOYSA-N -1 3 325.777 2.241 20 30 EEEDHM COc1cc(C(=O)Nc2nc(C)cc(C)c2-c2nnn[n-]2)ccc1C#N ZINC001579915529 1403798240 /nfs/dbraw/zinc/79/82/40/1403798240.db2.gz IBIQQPLLRJJDEE-UHFFFAOYSA-N -1 3 349.354 2.011 20 30 EEEDHM COc1cc(C(=O)Nc2nc(C)cc(C)c2-c2nn[n-]n2)ccc1C#N ZINC001579915529 1403798244 /nfs/dbraw/zinc/79/82/44/1403798244.db2.gz IBIQQPLLRJJDEE-UHFFFAOYSA-N -1 3 349.354 2.011 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC001591844173 1403961614 /nfs/dbraw/zinc/96/16/14/1403961614.db2.gz CTACAQHGFIKPPB-ZFWWWQNUSA-N -1 3 338.415 2.225 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC001591844173 1403961618 /nfs/dbraw/zinc/96/16/18/1403961618.db2.gz CTACAQHGFIKPPB-ZFWWWQNUSA-N -1 3 338.415 2.225 20 30 EEEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)c1ncc(C#N)cc1C ZINC001591988266 1403980702 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N#C[C@H]1CC[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001592681437 1404714470 /nfs/dbraw/zinc/71/44/70/1404714470.db2.gz VGCLHKAOFQPDDZ-WCBMZHEXSA-N -1 3 331.767 2.334 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC001592699383 1404718345 /nfs/dbraw/zinc/71/83/45/1404718345.db2.gz XVHGFJXJSPTJFG-VQIMIIECSA-N -1 3 346.394 2.316 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC001592699383 1404718350 /nfs/dbraw/zinc/71/83/50/1404718350.db2.gz XVHGFJXJSPTJFG-VQIMIIECSA-N -1 3 346.394 2.316 20 30 EEEDHM CN(Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001606148689 1404769558 /nfs/dbraw/zinc/76/95/58/1404769558.db2.gz QBUYCXVERKKENI-QGZVFWFLSA-N -1 3 340.379 2.128 20 30 EEEDHM C=CCCCC(=O)NC1(CNC(=O)c2cccc3n[n-]nc32)CCC1 ZINC001063153499 790274226 /nfs/dbraw/zinc/27/42/26/790274226.db2.gz CEUMNMLEHQOMJY-UHFFFAOYSA-N -1 3 341.415 2.083 20 30 EEEDHM N#Cc1ccc(N2CCCC[C@H](NC(=O)c3ccccc3[O-])C2)cn1 ZINC001063162965 790285061 /nfs/dbraw/zinc/28/50/61/790285061.db2.gz AQVRFLXWCFHEOR-HNNXBMFYSA-N -1 3 336.395 2.448 20 30 EEEDHM CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ncccc1[O-] ZINC001087282705 761442116 /nfs/dbraw/zinc/44/21/16/761442116.db2.gz CEIDXVYHASEYIE-XOKHGSTOSA-N -1 3 327.428 2.029 20 30 EEEDHM C[C@@H](Sc1ccccc1Cl)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816756702 784242371 /nfs/dbraw/zinc/24/23/71/784242371.db2.gz CNQCWPWTPXKRPP-KOLCDFICSA-N -1 3 328.821 2.317 20 30 EEEDHM O=C(CCCc1ncc(-c2ccccc2)o1)N[C@H]1CCCN([O-])C1=O ZINC000816756875 784246414 /nfs/dbraw/zinc/24/64/14/784246414.db2.gz HAANTOMEHIWCNY-AWEZNQCLSA-N -1 3 343.383 2.161 20 30 EEEDHM COc1cccc(CC2(C(=O)N[C@H]3CCN([O-])C3=O)CCCCC2)c1 ZINC000820136334 785805835 /nfs/dbraw/zinc/80/58/35/785805835.db2.gz AIDSLBYSJOJPPS-INIZCTEOSA-N -1 3 346.427 2.295 20 30 EEEDHM C=C(C)CN1CCC(NC(=O)N[C@@H](CCCCC)C(=O)[O-])CC1 ZINC000908945252 785868220 /nfs/dbraw/zinc/86/82/20/785868220.db2.gz DCNDBWQQICCBBE-HNNXBMFYSA-N -1 3 325.453 2.360 20 30 EEEDHM O=C(N[C@H]1CCCN([O-])C1=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC000820471155 785936058 /nfs/dbraw/zinc/93/60/58/785936058.db2.gz OMXFYNKNEIRXGD-QWRGUYRKSA-N -1 3 334.269 2.212 20 30 EEEDHM C#CCN1CCC(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CC1 ZINC000911387042 787419307 /nfs/dbraw/zinc/41/93/07/787419307.db2.gz NJPCNWGGGSVOCT-UHFFFAOYSA-N -1 3 325.368 2.150 20 30 EEEDHM C=CCCC[C@@H](C)NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823894509 787984627 /nfs/dbraw/zinc/98/46/27/787984627.db2.gz RVHDEFZYQARWJY-GFCCVEGCSA-N -1 3 344.419 2.419 20 30 EEEDHM C=CCCC[C@@H](C)NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823894509 787984636 /nfs/dbraw/zinc/98/46/36/787984636.db2.gz RVHDEFZYQARWJY-GFCCVEGCSA-N -1 3 344.419 2.419 20 30 EEEDHM O=S1(=O)CCC(C/N=C/c2cc(Br)ccc2[O-])CC1 ZINC000157173214 789626525 /nfs/dbraw/zinc/62/65/25/789626525.db2.gz OGXQQDOXFCDZMU-OQLLNIDSSA-N -1 3 346.246 2.398 20 30 EEEDHM C#C[C@H](C)OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000174442280 792114784 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/nfs/dbraw/zinc/15/41/75/466154175.db2.gz XMIICPRFFCTZHW-UHFFFAOYSA-N -1 3 343.364 2.187 20 30 EEEDHM C[C@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000305678267 466421747 /nfs/dbraw/zinc/42/17/47/466421747.db2.gz KAXXSNPVRRFLOE-UONOGXRCSA-N -1 3 328.821 2.041 20 30 EEEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1-c1nnc[nH]1 ZINC000373088925 466688670 /nfs/dbraw/zinc/68/86/70/466688670.db2.gz UARGGVWAWJMODG-UHFFFAOYSA-N -1 3 339.380 2.453 20 30 EEEDHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C12CCC2 ZINC000416561149 466741497 /nfs/dbraw/zinc/74/14/97/466741497.db2.gz MSOPWGHVBGVMHQ-KBPBESRZSA-N -1 3 340.832 2.448 20 30 EEEDHM COCC1CCC([N-]S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000416592233 466741948 /nfs/dbraw/zinc/74/19/48/466741948.db2.gz MICIUYMXELDVGA-UHFFFAOYSA-N -1 3 326.393 2.181 20 30 EEEDHM C=CCC[C@H]([N-]S(=O)(=O)c1cccc(C)c1F)C(=O)OCC ZINC000451998118 467299237 /nfs/dbraw/zinc/29/92/37/467299237.db2.gz RVLQVOFELYTLCW-LBPRGKRZSA-N -1 3 329.393 2.310 20 30 EEEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000435593904 467479197 /nfs/dbraw/zinc/47/91/97/467479197.db2.gz PGNBYSLIPGUXGG-ZWNOBZJWSA-N -1 3 346.430 2.224 20 30 EEEDHM Cc1c(C#N)cccc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436639750 467547907 /nfs/dbraw/zinc/54/79/07/467547907.db2.gz MMGCGVYZXVUPAQ-UHFFFAOYSA-N -1 3 349.390 2.171 20 30 EEEDHM COC[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccc(F)cc1 ZINC000443347195 467579416 /nfs/dbraw/zinc/57/94/16/467579416.db2.gz XDCDJNDPOTVAFD-HNNXBMFYSA-N -1 3 334.372 2.363 20 30 EEEDHM O=C(N[C@H]1CCCN([O-])C1=O)C1(c2cc(F)cc(F)c2)CCCC1 ZINC000529424398 467860776 /nfs/dbraw/zinc/86/07/76/467860776.db2.gz AMDAKPJAAZPGEK-AWEZNQCLSA-N -1 3 338.354 2.273 20 30 EEEDHM C#C[C@H](C)N(C)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000490712629 468239291 /nfs/dbraw/zinc/23/92/91/468239291.db2.gz GKRGTTZEYJUYGU-VIFPVBQESA-N -1 3 348.346 2.171 20 30 EEEDHM N#CCOc1ccc(C=CC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000490822235 468253801 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CC(C)n1cnc(S(=O)(=O)[N-]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000619752923 469676088 /nfs/dbraw/zinc/67/60/88/469676088.db2.gz DXWVJZQSRWJNON-UHFFFAOYSA-N -1 3 338.820 2.468 20 30 EEEDHM C[C@]1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)NC(=O)[N-]C1=O ZINC000534636437 485550097 /nfs/dbraw/zinc/55/00/97/485550097.db2.gz DPFRPGGCIIVJNA-LJQANCHMSA-N -1 3 348.362 2.060 20 30 EEEDHM C=CCCO[C@H](C)C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000173980459 527402916 /nfs/dbraw/zinc/40/29/16/527402916.db2.gz JRZNGIKZHOIVRO-GFCCVEGCSA-N -1 3 326.418 2.286 20 30 EEEDHM CCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)C[C@H](C)C#N ZINC000108975358 528887412 /nfs/dbraw/zinc/88/74/12/528887412.db2.gz MMIUSHQOLIGHGB-SECBINFHSA-N -1 3 348.428 2.061 20 30 EEEDHM CC[C@H](C)[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)C(=O)OC(C)(C)C ZINC000451341306 535978899 /nfs/dbraw/zinc/97/88/99/535978899.db2.gz MHGHFUYQOCCJEB-STQMWFEESA-N -1 3 344.477 2.356 20 30 EEEDHM O=C1[N-]c2c(c(Cl)ccc2F)C1=NNC(=S)NCC1CCC1 ZINC000727652584 576442565 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CN1CCN(c2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cc2)CC1 ZINC000776599485 577463989 /nfs/dbraw/zinc/46/39/89/577463989.db2.gz HMWJEKMHBLCWKK-UHFFFAOYSA-N -1 3 336.395 2.268 20 30 EEEDHM CCOc1ccc(/C=N\C2CCN(C(=O)CCOC)CC2)c([O-])c1 ZINC000767687735 577542893 /nfs/dbraw/zinc/54/28/93/577542893.db2.gz IISLOXAPXSPGOC-UYRXBGFRSA-N -1 3 334.416 2.237 20 30 EEEDHM CC(C)(C)n1ncc2c1nc(N=NCc1cccc(O)c1)[n-]c2=O ZINC000769810237 577585034 /nfs/dbraw/zinc/58/50/34/577585034.db2.gz NGSNDMYNPGCFQZ-UHFFFAOYSA-N -1 3 326.360 2.439 20 30 EEEDHM Cc1ccc(OC[C@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000758088819 577615787 /nfs/dbraw/zinc/61/57/87/577615787.db2.gz UJVSKZKFHFEBAP-ZDUSSCGKSA-N -1 3 331.397 2.008 20 30 EEEDHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2cccc(C#N)c2)c(C)o1 ZINC000761142892 577677832 /nfs/dbraw/zinc/67/78/32/577677832.db2.gz HNFKQQXEAGHPTD-SNVBAGLBSA-N -1 3 348.380 2.286 20 30 EEEDHM Cn1ncc2c1nc(N=NC1CCc3ccc(Cl)cc31)[n-]c2=O ZINC000762450320 577701304 /nfs/dbraw/zinc/70/13/04/577701304.db2.gz TWUHYAYNXOFXHI-UHFFFAOYSA-N -1 3 328.763 2.485 20 30 EEEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CCO)c2cccs2)c(F)c1 ZINC000751436046 577752375 /nfs/dbraw/zinc/75/23/75/577752375.db2.gz QWZIFPSFCYHGOX-LBPRGKRZSA-N -1 3 340.401 2.161 20 30 EEEDHM COc1cc(C(=O)OCC(=O)Nc2sccc2C#N)ccc1[O-] ZINC000757096371 577856633 /nfs/dbraw/zinc/85/66/33/577856633.db2.gz TVMOULVZTXSYKS-UHFFFAOYSA-N -1 3 332.337 2.129 20 30 EEEDHM C#CCCCC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000757768491 577863825 /nfs/dbraw/zinc/86/38/25/577863825.db2.gz WNUHPABCBWWSGR-UHFFFAOYSA-N -1 3 348.346 2.269 20 30 EEEDHM O=[N+]([O-])c1ccccc1C=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743448885 577885442 /nfs/dbraw/zinc/88/54/42/577885442.db2.gz FOTZPTLAAKQSNP-UHFFFAOYSA-N -1 3 333.369 2.091 20 30 EEEDHM COc1cccc([O-])c1C=NN1C(=S)N=NC1[C@H]1CCCCO1 ZINC000743451293 577885541 /nfs/dbraw/zinc/88/55/41/577885541.db2.gz CGPYYMVEOQSOLF-CYBMUJFWSA-N -1 3 334.401 2.405 20 30 EEEDHM Cc1nc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c2ccccn12 ZINC000744026876 577892200 /nfs/dbraw/zinc/89/22/00/577892200.db2.gz ADCMAALSBQYKJB-OAHLLOKOSA-N -1 3 332.363 2.282 20 30 EEEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)nnn1C ZINC000744030066 577892368 /nfs/dbraw/zinc/89/23/68/577892368.db2.gz ZAOFPCRXFNMDJZ-CQSZACIVSA-N -1 3 333.351 2.238 20 30 EEEDHM C=CCCCN(C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000735413429 578150555 /nfs/dbraw/zinc/15/05/55/578150555.db2.gz UYFWNIRIIRKKFR-NSHDSACASA-N -1 3 332.408 2.302 20 30 EEEDHM C=CCCCN(C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000735413429 578150556 /nfs/dbraw/zinc/15/05/56/578150556.db2.gz UYFWNIRIIRKKFR-NSHDSACASA-N -1 3 332.408 2.302 20 30 EEEDHM C#CCCCOC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735376130 578150603 /nfs/dbraw/zinc/15/06/03/578150603.db2.gz YXMWXBKYLNCZGC-UHFFFAOYSA-N -1 3 328.372 2.372 20 30 EEEDHM C#CCCCOC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735376130 578150605 /nfs/dbraw/zinc/15/06/05/578150605.db2.gz YXMWXBKYLNCZGC-UHFFFAOYSA-N -1 3 328.372 2.372 20 30 EEEDHM C#CCOc1cccc(OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735387902 578151445 /nfs/dbraw/zinc/15/14/45/578151445.db2.gz KCIFGECGUYKZBC-UHFFFAOYSA-N -1 3 348.362 2.417 20 30 EEEDHM C#CCOc1cccc(OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735387902 578151446 /nfs/dbraw/zinc/15/14/46/578151446.db2.gz KCIFGECGUYKZBC-UHFFFAOYSA-N -1 3 348.362 2.417 20 30 EEEDHM C#Cc1cccc(N(C)C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000735390259 578151603 /nfs/dbraw/zinc/15/16/03/578151603.db2.gz VQIBVURIGUDONH-ZDUSSCGKSA-N -1 3 347.378 2.278 20 30 EEEDHM C#Cc1cccc(N(C)C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000735390259 578151605 /nfs/dbraw/zinc/15/16/05/578151605.db2.gz VQIBVURIGUDONH-ZDUSSCGKSA-N -1 3 347.378 2.278 20 30 EEEDHM C=C(Cl)CNC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000735402136 578152131 /nfs/dbraw/zinc/15/21/31/578152131.db2.gz JHRNDPFAHBPWHM-CYBMUJFWSA-N -1 3 335.795 2.139 20 30 EEEDHM C=C(Cl)CNC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000735402136 578152132 /nfs/dbraw/zinc/15/21/32/578152132.db2.gz 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-1 3 338.415 2.201 20 30 EEEDHM C#C[C@H](NC(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21)C(C)(C)C ZINC001588329482 1348888719 /nfs/dbraw/zinc/88/87/19/1348888719.db2.gz HJMOBVFYUXCGOI-GJZGRUSLSA-N -1 3 338.415 2.201 20 30 EEEDHM C#CC[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001588335772 1348892714 /nfs/dbraw/zinc/89/27/14/1348892714.db2.gz XIWCWJUPMLCFCI-NSHDSACASA-N -1 3 329.791 2.396 20 30 EEEDHM C#CC[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001588335772 1348892717 /nfs/dbraw/zinc/89/27/17/1348892717.db2.gz XIWCWJUPMLCFCI-NSHDSACASA-N -1 3 329.791 2.396 20 30 EEEDHM C#CCO[C@H](C)C(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001588360010 1348895713 /nfs/dbraw/zinc/89/57/13/1348895713.db2.gz FRZGENURRLCQJT-SECBINFHSA-N -1 3 333.417 2.203 20 30 EEEDHM C#CCO[C@H](C)C(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001588360010 1348895716 /nfs/dbraw/zinc/89/57/16/1348895716.db2.gz FRZGENURRLCQJT-SECBINFHSA-N -1 3 333.417 2.203 20 30 EEEDHM C#Cc1ccc(CNC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC001588373132 1348896068 /nfs/dbraw/zinc/89/60/68/1348896068.db2.gz BBIJOPVPEHDEMG-UHFFFAOYSA-N -1 3 343.390 2.196 20 30 EEEDHM C#Cc1ccc(CNC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC001588373132 1348896073 /nfs/dbraw/zinc/89/60/73/1348896073.db2.gz BBIJOPVPEHDEMG-UHFFFAOYSA-N -1 3 343.390 2.196 20 30 EEEDHM C#Cc1ccccc1CC(=O)Oc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588375990 1348897781 /nfs/dbraw/zinc/89/77/81/1348897781.db2.gz ALBLKCBLYZWUGY-UHFFFAOYSA-N -1 3 334.335 2.005 20 30 EEEDHM C#Cc1ccccc1CC(=O)Oc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588375990 1348897788 /nfs/dbraw/zinc/89/77/88/1348897788.db2.gz ALBLKCBLYZWUGY-UHFFFAOYSA-N -1 3 334.335 2.005 20 30 EEEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1nccn1-c1ccccc1 ZINC001588381483 1348899399 /nfs/dbraw/zinc/89/93/99/1348899399.db2.gz DTVDUNMAUVZPQW-UHFFFAOYSA-N -1 3 330.355 2.498 20 30 EEEDHM C=C(C)C(C)(C)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001588402578 1348901599 /nfs/dbraw/zinc/90/15/99/1348901599.db2.gz IOBNUWZIKINVRP-LLVKDONJSA-N -1 3 343.387 2.339 20 30 EEEDHM C=C(C)C(C)(C)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001588402578 1348901600 /nfs/dbraw/zinc/90/16/00/1348901600.db2.gz IOBNUWZIKINVRP-LLVKDONJSA-N -1 3 343.387 2.339 20 30 EEEDHM C=C(CNC(=O)NCCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001588444199 1348905908 /nfs/dbraw/zinc/90/59/08/1348905908.db2.gz QGKOHPOFFRYFSM-UHFFFAOYSA-N -1 3 348.410 2.422 20 30 EEEDHM C=C(CNC(=O)NCCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001588444199 1348905913 /nfs/dbraw/zinc/90/59/13/1348905913.db2.gz QGKOHPOFFRYFSM-UHFFFAOYSA-N -1 3 348.410 2.422 20 30 EEEDHM C=C[C@H](CC)CC(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588525498 1348913341 /nfs/dbraw/zinc/91/33/41/1348913341.db2.gz YMFFJEVDHHJCAP-WCQYABFASA-N -1 3 343.435 2.089 20 30 EEEDHM C=C[C@H](CC)CC(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588525498 1348913343 /nfs/dbraw/zinc/91/33/43/1348913343.db2.gz YMFFJEVDHHJCAP-WCQYABFASA-N -1 3 343.435 2.089 20 30 EEEDHM C=CCC1(O)CCN(c2nc(C)c(-c3nnn[n-]3)cc2Cl)CC1 ZINC001588561076 1348916516 /nfs/dbraw/zinc/91/65/16/1348916516.db2.gz XCYJBYDBDBXKRE-UHFFFAOYSA-N -1 3 334.811 2.131 20 30 EEEDHM C=CCC1(O)CCN(c2nc(C)c(-c3nn[n-]n3)cc2Cl)CC1 ZINC001588561076 1348916523 /nfs/dbraw/zinc/91/65/23/1348916523.db2.gz XCYJBYDBDBXKRE-UHFFFAOYSA-N -1 3 334.811 2.131 20 30 EEEDHM C=CC[C@H]1CCN1C(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588564931 1348917952 /nfs/dbraw/zinc/91/79/52/1348917952.db2.gz VBLMMJJRMBKZOM-VIFPVBQESA-N -1 3 338.293 2.071 20 30 EEEDHM C=CCN(Cc1snnc1C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588651962 1348926785 /nfs/dbraw/zinc/92/67/85/1348926785.db2.gz BIWACNAXRYACNX-UHFFFAOYSA-N -1 3 327.417 2.215 20 30 EEEDHM C=CCN(Cc1snnc1C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588651962 1348926789 /nfs/dbraw/zinc/92/67/89/1348926789.db2.gz BIWACNAXRYACNX-UHFFFAOYSA-N -1 3 327.417 2.215 20 30 EEEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1 ZINC001588718760 1348930932 /nfs/dbraw/zinc/93/09/32/1348930932.db2.gz SBBGADSEZLQIJA-KGLIPLIRSA-N -1 3 328.376 2.030 20 30 EEEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001588718760 1348930936 /nfs/dbraw/zinc/93/09/36/1348930936.db2.gz SBBGADSEZLQIJA-KGLIPLIRSA-N -1 3 328.376 2.030 20 30 EEEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001589258050 1348975615 /nfs/dbraw/zinc/97/56/15/1348975615.db2.gz UEOUEALAEFTTNF-UHFFFAOYSA-N -1 3 349.398 2.476 20 30 EEEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001589258050 1348975619 /nfs/dbraw/zinc/97/56/19/1348975619.db2.gz UEOUEALAEFTTNF-UHFFFAOYSA-N -1 3 349.398 2.476 20 30 EEEDHM C[C@@H](CC#N)N(C)C(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001589786745 1349043568 /nfs/dbraw/zinc/04/35/68/1349043568.db2.gz BLBIPBRWYVHYSA-QMMMGPOBSA-N -1 3 349.192 2.003 20 30 EEEDHM C[C@@H](CC#N)N(C)C(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001589786745 1349043569 /nfs/dbraw/zinc/04/35/69/1349043569.db2.gz BLBIPBRWYVHYSA-QMMMGPOBSA-N -1 3 349.192 2.003 20 30 EEEDHM C[C@]1(C#N)CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001590053556 1349132927 /nfs/dbraw/zinc/13/29/27/1349132927.db2.gz BDTJCSHCDMTFOI-OAHLLOKOSA-N -1 3 329.339 2.163 20 30 EEEDHM C[C@]1(C#N)CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001590053556 1349132931 /nfs/dbraw/zinc/13/29/31/1349132931.db2.gz BDTJCSHCDMTFOI-OAHLLOKOSA-N -1 3 329.339 2.163 20 30 EEEDHM C[C@@H]1CCCN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)[C@@H]1C ZINC001590256500 1349232188 /nfs/dbraw/zinc/23/21/88/1349232188.db2.gz FRWLBZZYWSXCSD-IOASZLSFSA-N -1 3 338.415 2.196 20 30 EEEDHM CCCc1ccc(C(=O)Cn2c(C)nc(C#N)c2-c2nnn[n-]2)cc1 ZINC001590657569 1349383543 /nfs/dbraw/zinc/38/35/43/1349383543.db2.gz MXUFJOZPXJFWDD-UHFFFAOYSA-N -1 3 335.371 2.079 20 30 EEEDHM CCCc1ccc(C(=O)Cn2c(C)nc(C#N)c2-c2nn[n-]n2)cc1 ZINC001590657569 1349383553 /nfs/dbraw/zinc/38/35/53/1349383553.db2.gz MXUFJOZPXJFWDD-UHFFFAOYSA-N -1 3 335.371 2.079 20 30 EEEDHM CCOC(=O)C(C)(C)ON=CCCc1ccc(-c2nnn[n-]2)cc1 ZINC001590749513 1349396080 /nfs/dbraw/zinc/39/60/80/1349396080.db2.gz CVZSDMQSZZEDCL-UHFFFAOYSA-N -1 3 331.376 2.143 20 30 EEEDHM CCOC(=O)C(C)(C)ON=CCCc1ccc(-c2nn[n-]n2)cc1 ZINC001590749513 1349396085 /nfs/dbraw/zinc/39/60/85/1349396085.db2.gz CVZSDMQSZZEDCL-UHFFFAOYSA-N -1 3 331.376 2.143 20 30 EEEDHM COC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1C#N ZINC001591301843 1349457847 /nfs/dbraw/zinc/45/78/47/1349457847.db2.gz QHDGRQRZNRNTTH-UHFFFAOYSA-N -1 3 335.323 2.104 20 30 EEEDHM COC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1C#N ZINC001591301843 1349457854 /nfs/dbraw/zinc/45/78/54/1349457854.db2.gz QHDGRQRZNRNTTH-UHFFFAOYSA-N -1 3 335.323 2.104 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC001591868477 1349553353 /nfs/dbraw/zinc/55/33/53/1349553353.db2.gz JGHWXKJOOBFIOP-OAHLLOKOSA-N -1 3 347.382 2.100 20 30 EEEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)c1ccc(C#N)s1 ZINC001591988303 1349579369 /nfs/dbraw/zinc/57/93/69/1349579369.db2.gz ZDFDAKSKEBFDAP-UHFFFAOYSA-N -1 3 328.332 2.500 20 30 EEEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)c1ccc(C#N)s1 ZINC001591988303 1349579379 /nfs/dbraw/zinc/57/93/79/1349579379.db2.gz ZDFDAKSKEBFDAP-UHFFFAOYSA-N -1 3 328.332 2.500 20 30 EEEDHM Cn1ncc(C2CC2)c1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001592600177 1349666774 /nfs/dbraw/zinc/66/67/74/1349666774.db2.gz NZJSXRKPVDGXRG-MDWZMJQESA-N -1 3 332.367 2.300 20 30 EEEDHM Cn1ncc(C2CC2)c1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001592600177 1349666776 /nfs/dbraw/zinc/66/67/76/1349666776.db2.gz NZJSXRKPVDGXRG-MDWZMJQESA-N -1 3 332.367 2.300 20 30 EEEDHM N#Cc1cc(-c2nnn[n-]2)c(SC[C@@H]2C[C@@H]3C=C[C@H]2CC3)nc1N ZINC001592687500 1349704984 /nfs/dbraw/zinc/70/49/84/1349704984.db2.gz XAVGALCXNMVYAU-SCVCMEIPSA-N -1 3 339.428 2.410 20 30 EEEDHM N#Cc1cc(-c2nn[n-]n2)c(SC[C@@H]2C[C@@H]3C=C[C@H]2CC3)nc1N ZINC001592687500 1349704988 /nfs/dbraw/zinc/70/49/88/1349704988.db2.gz XAVGALCXNMVYAU-SCVCMEIPSA-N -1 3 339.428 2.410 20 30 EEEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1ccncc1Cl ZINC001592687383 1349705534 /nfs/dbraw/zinc/70/55/34/1349705534.db2.gz SSSBAVJFBBKVKR-UHFFFAOYSA-N -1 3 344.791 2.056 20 30 EEEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1ccncc1Cl ZINC001592687383 1349705537 /nfs/dbraw/zinc/70/55/37/1349705537.db2.gz SSSBAVJFBBKVKR-UHFFFAOYSA-N -1 3 344.791 2.056 20 30 EEEDHM N#Cc1ccc(C=C2CCc3cc(-c4nnn[n-]4)cnc3C2=O)c(F)c1 ZINC001592692046 1349706507 /nfs/dbraw/zinc/70/65/07/1349706507.db2.gz PWILKVIERKOBFQ-MLPAPPSSSA-N -1 3 346.325 2.485 20 30 EEEDHM N#Cc1ccc(C=C2CCc3cc(-c4nn[n-]n4)cnc3C2=O)c(F)c1 ZINC001592692046 1349706512 /nfs/dbraw/zinc/70/65/12/1349706512.db2.gz PWILKVIERKOBFQ-MLPAPPSSSA-N -1 3 346.325 2.485 20 30 EEEDHM N#Cc1cccc2c1CN(C(=O)Nc1ccc(F)c(-c3nnn[n-]3)c1)C2 ZINC001592703044 1349709021 /nfs/dbraw/zinc/70/90/21/1349709021.db2.gz DVQFUUBRZOMGON-UHFFFAOYSA-N -1 3 349.329 2.425 20 30 EEEDHM N#Cc1cccc2c1CN(C(=O)Nc1ccc(F)c(-c3nn[n-]n3)c1)C2 ZINC001592703044 1349709026 /nfs/dbraw/zinc/70/90/26/1349709026.db2.gz DVQFUUBRZOMGON-UHFFFAOYSA-N -1 3 349.329 2.425 20 30 EEEDHM N#Cc1ncccc1COC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001592709344 1349710109 /nfs/dbraw/zinc/71/01/09/1349710109.db2.gz AINVQPADKBAOSX-UHFFFAOYSA-N -1 3 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EEEDHM C=CCCC(=O)NC/C=C/CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588572848 1348919187 /nfs/dbraw/zinc/91/91/87/1348919187.db2.gz SJGTVJVAGAZNNJ-SNAWJCMRSA-N -1 3 330.367 2.056 20 30 EEEDHM C=CCCC(=O)NC/C=C/CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588572848 1348919189 /nfs/dbraw/zinc/91/91/89/1348919189.db2.gz SJGTVJVAGAZNNJ-SNAWJCMRSA-N -1 3 330.367 2.056 20 30 EEEDHM C=CCCCCCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588596243 1348923168 /nfs/dbraw/zinc/92/31/68/1348923168.db2.gz KEJYGAMASPDXAF-UHFFFAOYSA-N -1 3 339.396 2.031 20 30 EEEDHM C=CCCCCCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588596243 1348923170 /nfs/dbraw/zinc/92/31/70/1348923170.db2.gz KEJYGAMASPDXAF-UHFFFAOYSA-N -1 3 339.396 2.031 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)C(=O)N(CC)CC ZINC001588647967 1348926140 /nfs/dbraw/zinc/92/61/40/1348926140.db2.gz FCBWCWSKQNCWCH-CQSZACIVSA-N -1 3 342.447 2.112 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[C@@H](C)F ZINC001588642265 1348926518 /nfs/dbraw/zinc/92/65/18/1348926518.db2.gz WYCBMUZFNGZEQO-GFCCVEGCSA-N -1 3 332.383 2.312 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[C@@H](C)F ZINC001588642265 1348926522 /nfs/dbraw/zinc/92/65/22/1348926522.db2.gz WYCBMUZFNGZEQO-GFCCVEGCSA-N -1 3 332.383 2.312 20 30 EEEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)OCCO2 ZINC001588780659 1348935542 /nfs/dbraw/zinc/93/55/42/1348935542.db2.gz IODUOBGFDQMAIF-UHFFFAOYSA-N -1 3 336.355 2.474 20 30 EEEDHM C[C@@]1(C#N)CCN(c2c(Br)cccc2-c2nnn[n-]2)C1 ZINC001590056349 1349134715 /nfs/dbraw/zinc/13/47/15/1349134715.db2.gz HUDHGETVMJYABT-ZDUSSCGKSA-N -1 3 333.193 2.369 20 30 EEEDHM C[C@@]1(C#N)CCN(c2c(Br)cccc2-c2nn[n-]n2)C1 ZINC001590056349 1349134722 /nfs/dbraw/zinc/13/47/22/1349134722.db2.gz HUDHGETVMJYABT-ZDUSSCGKSA-N -1 3 333.193 2.369 20 30 EEEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC001590023848 1349113584 /nfs/dbraw/zinc/11/35/84/1349113584.db2.gz RVBIPACMYJCEEB-LBPRGKRZSA-N -1 3 349.350 2.249 20 30 EEEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC001590023848 1349113588 /nfs/dbraw/zinc/11/35/88/1349113588.db2.gz RVBIPACMYJCEEB-LBPRGKRZSA-N -1 3 349.350 2.249 20 30 EEEDHM CC1(C)CCCN(C(=O)c2ccc(-c3nnn[n-]3)cc2F)[C@@H]1C#N ZINC001590095788 1349152025 /nfs/dbraw/zinc/15/20/25/1349152025.db2.gz AQYIZYCIHVFQOD-CYBMUJFWSA-N -1 3 328.351 2.160 20 30 EEEDHM CC1(C)CCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2F)[C@@H]1C#N ZINC001590095788 1349152032 /nfs/dbraw/zinc/15/20/32/1349152032.db2.gz AQYIZYCIHVFQOD-CYBMUJFWSA-N -1 3 328.351 2.160 20 30 EEEDHM CCN(C[C@H](C)C#N)C(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001590683166 1349388901 /nfs/dbraw/zinc/38/89/01/1349388901.db2.gz YLISLVJYOCDZSE-LLVKDONJSA-N -1 3 342.378 2.046 20 30 EEEDHM CCN(C[C@H](C)C#N)C(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001590683166 1349388908 /nfs/dbraw/zinc/38/89/08/1349388908.db2.gz YLISLVJYOCDZSE-LLVKDONJSA-N -1 3 342.378 2.046 20 30 EEEDHM CN(C)c1cc(C(=O)OCCCC(C)(C)C#N)cc(-c2nnn[n-]2)c1 ZINC001591028390 1349430517 /nfs/dbraw/zinc/43/05/17/1349430517.db2.gz JRHXMLJRJZXEKO-UHFFFAOYSA-N -1 3 342.403 2.419 20 30 EEEDHM CN(C)c1cc(C(=O)OCCCC(C)(C)C#N)cc(-c2nn[n-]n2)c1 ZINC001591028390 1349430521 /nfs/dbraw/zinc/43/05/21/1349430521.db2.gz JRHXMLJRJZXEKO-UHFFFAOYSA-N -1 3 342.403 2.419 20 30 EEEDHM CNc1ccc(C#N)cc1NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001591225192 1349451074 /nfs/dbraw/zinc/45/10/74/1349451074.db2.gz LYWHICSFCBEVLD-UHFFFAOYSA-N -1 3 337.318 2.171 20 30 EEEDHM CNc1ccc(C#N)cc1NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001591225192 1349451076 /nfs/dbraw/zinc/45/10/76/1349451076.db2.gz LYWHICSFCBEVLD-UHFFFAOYSA-N -1 3 337.318 2.171 20 30 EEEDHM Cc1cc(C)c(C#N)c(N(C)Cc2cc(-c3nnn[n-]3)cs2)n1 ZINC001591945932 1349565291 /nfs/dbraw/zinc/56/52/91/1349565291.db2.gz UETPXEGKGZYQGB-UHFFFAOYSA-N -1 3 325.401 2.448 20 30 EEEDHM Cc1cc(C)c(C#N)c(N(C)Cc2cc(-c3nn[n-]n3)cs2)n1 ZINC001591945932 1349565296 /nfs/dbraw/zinc/56/52/96/1349565296.db2.gz UETPXEGKGZYQGB-UHFFFAOYSA-N -1 3 325.401 2.448 20 30 EEEDHM Cc1ccc(-c2nnn[n-]2)cc1NCC(=O)Nc1ccc(C#N)cc1 ZINC001592108191 1349593102 /nfs/dbraw/zinc/59/31/02/1349593102.db2.gz SQRAOGIUCXTPQZ-UHFFFAOYSA-N -1 3 333.355 2.097 20 30 EEEDHM Cc1ccc(-c2nn[n-]n2)cc1NCC(=O)Nc1ccc(C#N)cc1 ZINC001592108191 1349593109 /nfs/dbraw/zinc/59/31/09/1349593109.db2.gz SQRAOGIUCXTPQZ-UHFFFAOYSA-N -1 3 333.355 2.097 20 30 EEEDHM Cc1nsc(NC(=O)c2ccc(C)c(-c3nnn[n-]3)c2)c1C#N ZINC001592132289 1349594726 /nfs/dbraw/zinc/59/47/26/1349594726.db2.gz GCHZFWXPIJTUQP-UHFFFAOYSA-N -1 3 325.357 2.064 20 30 EEEDHM Cc1nsc(NC(=O)c2ccc(C)c(-c3nn[n-]n3)c2)c1C#N ZINC001592132289 1349594733 /nfs/dbraw/zinc/59/47/33/1349594733.db2.gz GCHZFWXPIJTUQP-UHFFFAOYSA-N -1 3 325.357 2.064 20 30 EEEDHM Cc1ccc(F)c(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC001592173976 1349600794 /nfs/dbraw/zinc/60/07/94/1349600794.db2.gz ZIROLOBWXDSCOQ-UHFFFAOYSA-N -1 3 336.330 2.367 20 30 EEEDHM Cc1ccc(F)c(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC001592173976 1349600801 /nfs/dbraw/zinc/60/08/01/1349600801.db2.gz ZIROLOBWXDSCOQ-UHFFFAOYSA-N -1 3 336.330 2.367 20 30 EEEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CCCC3(C2)OCCO3)n1 ZINC001592523214 1349645491 /nfs/dbraw/zinc/64/54/91/1349645491.db2.gz KKORZXWZKSODMJ-UHFFFAOYSA-N -1 3 349.782 2.000 20 30 EEEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CCCC3(C2)OCCO3)n1 ZINC001592523214 1349645492 /nfs/dbraw/zinc/64/54/92/1349645492.db2.gz KKORZXWZKSODMJ-UHFFFAOYSA-N -1 3 349.782 2.000 20 30 EEEDHM N#Cc1cc(COC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)ccn1 ZINC001592688303 1349705337 /nfs/dbraw/zinc/70/53/37/1349705337.db2.gz OQTHAUPUPMNVIP-UHFFFAOYSA-N -1 3 340.730 2.144 20 30 EEEDHM N#Cc1cc(COC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)ccn1 ZINC001592688303 1349705341 /nfs/dbraw/zinc/70/53/41/1349705341.db2.gz OQTHAUPUPMNVIP-UHFFFAOYSA-N -1 3 340.730 2.144 20 30 EEEDHM N#Cc1cc(NC(=O)C[C@@H]2OCc3ccccc32)ccc1-c1nnn[n-]1 ZINC001592689344 1349705442 /nfs/dbraw/zinc/70/54/42/1349705442.db2.gz VMPUUHSONLFFAF-INIZCTEOSA-N -1 3 346.350 2.338 20 30 EEEDHM N#Cc1cc(NC(=O)C[C@@H]2OCc3ccccc32)ccc1-c1nn[n-]n1 ZINC001592689344 1349705445 /nfs/dbraw/zinc/70/54/45/1349705445.db2.gz VMPUUHSONLFFAF-INIZCTEOSA-N -1 3 346.350 2.338 20 30 EEEDHM N#Cc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)nc1Cl ZINC001592691199 1349706164 /nfs/dbraw/zinc/70/61/64/1349706164.db2.gz NETIFQKAGHZUSO-UHFFFAOYSA-N -1 3 325.719 2.039 20 30 EEEDHM N#Cc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)nc1Cl ZINC001592691199 1349706165 /nfs/dbraw/zinc/70/61/65/1349706165.db2.gz NETIFQKAGHZUSO-UHFFFAOYSA-N -1 3 325.719 2.039 20 30 EEEDHM N#Cc1ccc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)nc1 ZINC001592692983 1349706291 /nfs/dbraw/zinc/70/62/91/1349706291.db2.gz SZLAIOUGNSLYRT-UHFFFAOYSA-N -1 3 331.383 2.298 20 30 EEEDHM N#Cc1sccc1C(=O)N1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001592712194 1349709801 /nfs/dbraw/zinc/70/98/01/1349709801.db2.gz ZJQARYJONHZUTC-UHFFFAOYSA-N -1 3 336.380 2.393 20 30 EEEDHM N#Cc1sccc1C(=O)N1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001592712194 1349709804 /nfs/dbraw/zinc/70/98/04/1349709804.db2.gz ZJQARYJONHZUTC-UHFFFAOYSA-N -1 3 336.380 2.393 20 30 EEEDHM C#CC[C@@H]1CCCN(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)C1 ZINC001602699556 1350574800 /nfs/dbraw/zinc/57/48/00/1350574800.db2.gz ICAGWTMZEYZIMW-LLVKDONJSA-N -1 3 328.351 2.273 20 30 EEEDHM C#CC[C@@H]1CCCN(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)C1 ZINC001602699556 1350574802 /nfs/dbraw/zinc/57/48/02/1350574802.db2.gz ICAGWTMZEYZIMW-LLVKDONJSA-N -1 3 328.351 2.273 20 30 EEEDHM C=C(C)CCC(=O)NC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001602759332 1350582609 /nfs/dbraw/zinc/58/26/09/1350582609.db2.gz GCUJDOPCSFHHLB-JTQLQIEISA-N -1 3 349.826 2.188 20 30 EEEDHM C=C(C)CCC(=O)NC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001602759332 1350582612 /nfs/dbraw/zinc/58/26/12/1350582612.db2.gz GCUJDOPCSFHHLB-JTQLQIEISA-N -1 3 349.826 2.188 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N[C@@H](C)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001602803295 1350589069 /nfs/dbraw/zinc/58/90/69/1350589069.db2.gz KKEQNXJMYCJSDV-STQMWFEESA-N -1 3 343.435 2.089 20 30 EEEDHM C=C[C@@H](CC)CC(=O)N[C@@H](C)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001602803295 1350589076 /nfs/dbraw/zinc/58/90/76/1350589076.db2.gz KKEQNXJMYCJSDV-STQMWFEESA-N -1 3 343.435 2.089 20 30 EEEDHM C=C[C@@H](Sc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C(=O)OC ZINC001602803770 1350589195 /nfs/dbraw/zinc/58/91/95/1350589195.db2.gz OJGDWTBHMYVMHH-SSDOTTSWSA-N -1 3 345.306 2.100 20 30 EEEDHM C=C[C@@H](Sc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C(=O)OC ZINC001602803770 1350589199 /nfs/dbraw/zinc/58/91/99/1350589199.db2.gz OJGDWTBHMYVMHH-SSDOTTSWSA-N -1 3 345.306 2.100 20 30 EEEDHM C=CCC1(O)CCN(C(=O)Nc2cc(C)cc(-c3nnn[n-]3)c2)CC1 ZINC001602818639 1350591223 /nfs/dbraw/zinc/59/12/23/1350591223.db2.gz TXRQVXVPBFONJN-UHFFFAOYSA-N -1 3 342.403 2.110 20 30 EEEDHM C=CCC1(O)CCN(C(=O)Nc2cc(C)cc(-c3nn[n-]n3)c2)CC1 ZINC001602818639 1350591226 /nfs/dbraw/zinc/59/12/26/1350591226.db2.gz TXRQVXVPBFONJN-UHFFFAOYSA-N -1 3 342.403 2.110 20 30 EEEDHM C=CCC[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1-c1nnn[n-]1 ZINC001602833584 1350593048 /nfs/dbraw/zinc/59/30/48/1350593048.db2.gz RAFBZBKEVKKDCQ-CYBMUJFWSA-N -1 3 347.444 2.294 20 30 EEEDHM C=CCC[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1-c1nn[n-]n1 ZINC001602833584 1350593053 /nfs/dbraw/zinc/59/30/53/1350593053.db2.gz RAFBZBKEVKKDCQ-CYBMUJFWSA-N -1 3 347.444 2.294 20 30 EEEDHM C=CCCNc1c(-c2nnn[n-]2)cnc2c(OC)cc(OC)cc21 ZINC001602841023 1350594526 /nfs/dbraw/zinc/59/45/26/1350594526.db2.gz KUAJENVHLYFHOE-UHFFFAOYSA-N -1 3 326.360 2.420 20 30 EEEDHM C=CCCNc1c(-c2nn[n-]n2)cnc2c(OC)cc(OC)cc21 ZINC001602841023 1350594529 /nfs/dbraw/zinc/59/45/29/1350594529.db2.gz KUAJENVHLYFHOE-UHFFFAOYSA-N -1 3 326.360 2.420 20 30 EEEDHM C=CCCN(C)C(=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001602839911 1350594717 /nfs/dbraw/zinc/59/47/17/1350594717.db2.gz LOIDJHSJARSYGK-UHFFFAOYSA-N -1 3 336.193 2.277 20 30 EEEDHM C=CCCN(C)C(=O)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001602839911 1350594719 /nfs/dbraw/zinc/59/47/19/1350594719.db2.gz LOIDJHSJARSYGK-UHFFFAOYSA-N -1 3 336.193 2.277 20 30 EEEDHM CC(C)[C@@H](C)N(C)C(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603210048 1350663238 /nfs/dbraw/zinc/66/32/38/1350663238.db2.gz 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ZINC001603773361 1350764067 /nfs/dbraw/zinc/76/40/67/1350764067.db2.gz ZLYJURLLIYYXMZ-UHFFFAOYSA-N -1 3 326.404 2.482 20 30 EEEDHM CCC(C)(C)CNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603981616 1350819414 /nfs/dbraw/zinc/81/94/14/1350819414.db2.gz AGGXTCZLRHWOQC-CQSZACIVSA-N -1 3 326.404 2.101 20 30 EEEDHM CCc1cc(C#N)c(NC(=O)c2ncc(-c3nnn[n-]3)cc2C)s1 ZINC001604510919 1350952147 /nfs/dbraw/zinc/95/21/47/1350952147.db2.gz LUPPCBNZVABPBO-UHFFFAOYSA-N -1 3 339.384 2.318 20 30 EEEDHM CCc1cc(C#N)c(NC(=O)c2ncc(-c3nn[n-]n3)cc2C)s1 ZINC001604510919 1350952149 /nfs/dbraw/zinc/95/21/49/1350952149.db2.gz LUPPCBNZVABPBO-UHFFFAOYSA-N -1 3 339.384 2.318 20 30 EEEDHM CN(Cc1ccc(C#N)cc1)c1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC001604808991 1351011710 /nfs/dbraw/zinc/01/17/10/1351011710.db2.gz YQEKUUVRSAIYSC-UHFFFAOYSA-N -1 3 331.383 2.258 20 30 EEEDHM CN(Cc1ccc(C#N)cc1)c1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC001604808991 1351011711 /nfs/dbraw/zinc/01/17/11/1351011711.db2.gz YQEKUUVRSAIYSC-UHFFFAOYSA-N -1 3 331.383 2.258 20 30 EEEDHM Cn1cc(C=NOCC2CCC2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001606236495 1351286769 /nfs/dbraw/zinc/28/67/69/1351286769.db2.gz AIYAZDMNVLQCQX-UHFFFAOYSA-N -1 3 337.387 2.418 20 30 EEEDHM Cn1cc(C=NOCC2CCC2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001606236495 1351286771 /nfs/dbraw/zinc/28/67/71/1351286771.db2.gz AIYAZDMNVLQCQX-UHFFFAOYSA-N -1 3 337.387 2.418 20 30 EEEDHM N#Cc1cc(NC(=O)[C@@]23CCO[C@@H]2CCCC3)ccc1-c1nnn[n-]1 ZINC001606361656 1351297071 /nfs/dbraw/zinc/29/70/71/1351297071.db2.gz WCNYCJGYNQYPIG-PBHICJAKSA-N -1 3 338.371 2.026 20 30 EEEDHM N#Cc1cc(NC(=O)[C@@]23CCO[C@@H]2CCCC3)ccc1-c1nn[n-]n1 ZINC001606361656 1351297074 /nfs/dbraw/zinc/29/70/74/1351297074.db2.gz WCNYCJGYNQYPIG-PBHICJAKSA-N -1 3 338.371 2.026 20 30 EEEDHM N#Cc1cncc(S(=O)(=O)[N-]c2cccc(CN3CCCC3)c2)c1 ZINC001649810722 1353607317 /nfs/dbraw/zinc/60/73/17/1353607317.db2.gz BNDWGVMVMLJJCM-UHFFFAOYSA-N -1 3 342.424 2.350 20 30 EEEDHM COC(=O)c1ccc(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)[nH]1 ZINC000763107825 1367528478 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EEEDHM C=CCC[C@@H]1CCCN1c1nnc(CCc2nn[n-]n2)n1CC(C)C ZINC001122687377 1372069717 /nfs/dbraw/zinc/06/97/17/1372069717.db2.gz ZIQRLBDIRQTVCG-CQSZACIVSA-N -1 3 344.467 2.167 20 30 EEEDHM CC[C@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H](C)C(=O)OC ZINC000836111793 1372688814 /nfs/dbraw/zinc/68/88/14/1372688814.db2.gz SBQXLPSGQQUGNU-NHYWBVRUSA-N -1 3 348.399 2.339 20 30 EEEDHM CCCN(C(=O)[C@H](C)C#N)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001396962091 1390995983 /nfs/dbraw/zinc/99/59/83/1390995983.db2.gz QLAOYKBTSLYLLW-CQSZACIVSA-N -1 3 343.427 2.395 20 30 EEEDHM N#Cc1ccc2c(c1)CCC[C@H]2[N-]S(=O)(=O)c1cccnc1C#N ZINC001424248568 1400990657 /nfs/dbraw/zinc/99/06/57/1400990657.db2.gz FKRZHKJTAHRVEG-OAHLLOKOSA-N -1 3 338.392 2.181 20 30 EEEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc(C#N)cc1 ZINC001592105053 1403995318 /nfs/dbraw/zinc/99/53/18/1403995318.db2.gz IIFIINVFVPEBSY-UHFFFAOYSA-N -1 3 333.355 2.369 20 30 EEEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc(C#N)cc1 ZINC001592105053 1403995321 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N#CCc1ccsc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001592680813 1404714780 /nfs/dbraw/zinc/71/47/80/1404714780.db2.gz IIKHHBABAJUYCN-UHFFFAOYSA-N -1 3 328.332 2.386 20 30 EEEDHM N#Cc1ccc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1F ZINC001592693277 1404715889 /nfs/dbraw/zinc/71/58/89/1404715889.db2.gz QQVXWMGDJUOMGG-UHFFFAOYSA-N -1 3 339.290 2.398 20 30 EEEDHM N#Cc1ccc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1F ZINC001592693277 1404715893 /nfs/dbraw/zinc/71/58/93/1404715893.db2.gz QQVXWMGDJUOMGG-UHFFFAOYSA-N -1 3 339.290 2.398 20 30 EEEDHM N#Cc1nc(N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)sc1Cl ZINC001592707976 1404720145 /nfs/dbraw/zinc/72/01/45/1404720145.db2.gz MRMKMRIQOIQJFW-JTQLQIEISA-N -1 3 343.803 2.428 20 30 EEEDHM N#Cc1nc(N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)sc1Cl ZINC001592707976 1404720150 /nfs/dbraw/zinc/72/01/50/1404720150.db2.gz MRMKMRIQOIQJFW-JTQLQIEISA-N -1 3 343.803 2.428 20 30 EEEDHM Fc1nc(F)c(F)c(N=NCc2ccc(-c3nnn[n-]3)cc2)c1F ZINC001606335690 1404796991 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N#Cc1ncn(Cc2ccc3ccc(Cl)cc3n2)c1-c1nnn[n-]1 ZINC001606398423 1404808196 /nfs/dbraw/zinc/80/81/96/1404808196.db2.gz BIJSLLIXXOHISY-UHFFFAOYSA-N -1 3 336.746 2.185 20 30 EEEDHM CCc1nnc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1 ZINC000785114778 760269816 /nfs/dbraw/zinc/26/98/16/760269816.db2.gz ACSQHIXAGAGBHK-UHFFFAOYSA-N -1 3 346.412 2.366 20 30 EEEDHM CC#CCN[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1c1ccccc1 ZINC001211577883 760965015 /nfs/dbraw/zinc/96/50/15/760965015.db2.gz GANJSWAJLOKZQS-DLBZAZTESA-N -1 3 335.407 2.008 20 30 EEEDHM C=CCN(CC=C)C(=O)COC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000919325671 769781511 /nfs/dbraw/zinc/78/15/11/769781511.db2.gz OUJUOCOGEUIBDU-UHFFFAOYSA-N -1 3 329.356 2.336 20 30 EEEDHM C=CCN(CC=C)C(=O)COC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000919325671 769781515 /nfs/dbraw/zinc/78/15/15/769781515.db2.gz OUJUOCOGEUIBDU-UHFFFAOYSA-N -1 3 329.356 2.336 20 30 EEEDHM Cc1cccc(C)c1OC[C@H](O)C/N=C\c1c([O-])c(C)ncc1CO ZINC000920387989 770690870 /nfs/dbraw/zinc/69/08/70/770690870.db2.gz XDYNOCBFZZAJLW-PADWCVLASA-N -1 3 344.411 2.064 20 30 EEEDHM C#Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)c3ccccc3[O-])C2)cc1 ZINC000936690369 776778930 /nfs/dbraw/zinc/77/89/30/776778930.db2.gz CWRWNNVVKDDDBO-KRWDZBQOSA-N -1 3 348.402 2.360 20 30 EEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000060957627 790893672 /nfs/dbraw/zinc/89/36/72/790893672.db2.gz VCHJIIXXTGMGLT-UHFFFAOYSA-N -1 3 341.323 2.310 20 30 EEEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cccc(OCc2cccs2)c1 ZINC000816754349 784239682 /nfs/dbraw/zinc/23/96/82/784239682.db2.gz BQOGONMLYQFDSL-OAHLLOKOSA-N -1 3 346.408 2.437 20 30 EEEDHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000816757297 784245113 /nfs/dbraw/zinc/24/51/13/784245113.db2.gz PTPKBCCBFNNKKN-UKRRQHHQSA-N -1 3 334.416 2.382 20 30 EEEDHM O=C(N[C@H]1CCCN([O-])C1=O)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC000820471156 785936580 /nfs/dbraw/zinc/93/65/80/785936580.db2.gz OMXFYNKNEIRXGD-WDEREUQCSA-N -1 3 334.269 2.212 20 30 EEEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc2ccccc2c2cccnc12 ZINC000820476369 785938213 /nfs/dbraw/zinc/93/82/13/785938213.db2.gz KVMIEMXOIMGQIJ-INIZCTEOSA-N -1 3 335.363 2.498 20 30 EEEDHM COc1ccc(C2(C(=O)N[C@H]3CCCN([O-])C3=O)CCCC2)cc1 ZINC000820482147 785940417 /nfs/dbraw/zinc/94/04/17/785940417.db2.gz DSVYBUYIHFPLRE-HNNXBMFYSA-N -1 3 332.400 2.003 20 30 EEEDHM CCOC(=O)c1cc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)nc2ccccc21 ZINC001160174662 787558384 /nfs/dbraw/zinc/55/83/84/787558384.db2.gz IAQUJXZMIMIMIT-BONVTDFDSA-N -1 3 329.356 2.060 20 30 EEEDHM CC(C)(C)C#CC(=O)NC1(CNC(=O)c2ccccc2[O-])CCC1 ZINC001062567812 788242183 /nfs/dbraw/zinc/24/21/83/788242183.db2.gz AXHPJQVVFQNYNV-UHFFFAOYSA-N -1 3 328.412 2.210 20 30 EEEDHM C=CCOC[C@H](NCc1cc(Br)ccc1OC)C(=O)[O-] ZINC000901808901 788986718 /nfs/dbraw/zinc/98/67/18/788986718.db2.gz MNWNKHNEIDUNIQ-LBPRGKRZSA-N -1 3 344.205 2.203 20 30 EEEDHM C=C(Cc1ccccc1)C(=O)Nc1c(C(=O)OC)c[n-]c1C(=O)OC ZINC001144388961 789690561 /nfs/dbraw/zinc/69/05/61/789690561.db2.gz XEIZDFQYUOEMDK-UHFFFAOYSA-N -1 3 342.351 2.325 20 30 EEEDHM C=C[C@H](C)ONC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000846550201 790229845 /nfs/dbraw/zinc/22/98/45/790229845.db2.gz LOSAUMDNANHALI-NSHDSACASA-N -1 3 328.372 2.108 20 30 EEEDHM Cc1c(Cl)nc(-c2ccccn2)nc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001171365165 793188108 /nfs/dbraw/zinc/18/81/08/793188108.db2.gz NOZDUKDYGREREF-KWQFWETISA-N -1 3 333.779 2.148 20 30 EEEDHM CCOC(=O)c1nsc2cc(N[C@@H]3C(=O)N([O-])C[C@@H]3C)ccc21 ZINC001171365967 793215409 /nfs/dbraw/zinc/21/54/09/793215409.db2.gz ODIAURXOWABPIF-UFBFGSQYSA-N -1 3 335.385 2.121 20 30 EEEDHM C[C@H](C[C@H](C)Nc1cncc(C#N)n1)NC(=O)c1ccccc1[O-] ZINC001089242683 793569793 /nfs/dbraw/zinc/56/97/93/793569793.db2.gz CACGWYXWAVIHOJ-NWDGAFQWSA-N -1 3 325.372 2.063 20 30 EEEDHM Cc1ncc(CO)c(C=NN=c2sc3ccccc3n2C)c1[O-] ZINC000916270678 797568850 /nfs/dbraw/zinc/56/88/50/797568850.db2.gz BXSPQAWBWXEHCI-UHFFFAOYSA-N -1 3 328.397 2.076 20 30 EEEDHM 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NVAZUGNPCXUXOV-UHFFFAOYSA-N -1 3 344.325 2.277 20 30 EEEDHM COc1ccc(CN=Nc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737082905 578237084 /nfs/dbraw/zinc/23/70/84/578237084.db2.gz MEPLDLHUJGPPSW-UHFFFAOYSA-N -1 3 339.315 2.230 20 30 EEEDHM COc1ccc(CN=Nc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737082905 578237085 /nfs/dbraw/zinc/23/70/85/578237085.db2.gz MEPLDLHUJGPPSW-UHFFFAOYSA-N -1 3 339.315 2.230 20 30 EEEDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737282958 578247908 /nfs/dbraw/zinc/24/79/08/578247908.db2.gz MBOJIYLMUSRKAQ-UHFFFAOYSA-N -1 3 349.310 2.207 20 30 EEEDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737282958 578247909 /nfs/dbraw/zinc/24/79/09/578247909.db2.gz MBOJIYLMUSRKAQ-UHFFFAOYSA-N -1 3 349.310 2.207 20 30 EEEDHM O=c1[nH]c2ccccc2cc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000823733558 607254936 /nfs/dbraw/zinc/25/49/36/607254936.db2.gz YYCNDVWCDBKZCO-UHFFFAOYSA-N -1 3 345.366 2.244 20 30 EEEDHM O=c1[nH]c2ccccc2cc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000823733558 607254937 /nfs/dbraw/zinc/25/49/37/607254937.db2.gz YYCNDVWCDBKZCO-UHFFFAOYSA-N -1 3 345.366 2.244 20 30 EEEDHM C=CCCCN(C)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000819740453 599343723 /nfs/dbraw/zinc/34/37/23/599343723.db2.gz ZWAHMBYBQZWYKG-UHFFFAOYSA-N -1 3 341.824 2.107 20 30 EEEDHM C=CCSCCNc1c(-c2nnn[n-]2)cnc2c(C)cccc21 ZINC000819759242 599502733 /nfs/dbraw/zinc/50/27/33/599502733.db2.gz QMDIHNYSTSSKLH-UHFFFAOYSA-N -1 3 326.429 2.476 20 30 EEEDHM C=CCSCCNc1c(-c2nn[n-]n2)cnc2c(C)cccc21 ZINC000819759242 599502736 /nfs/dbraw/zinc/50/27/36/599502736.db2.gz QMDIHNYSTSSKLH-UHFFFAOYSA-N -1 3 326.429 2.476 20 30 EEEDHM Cc1cc(C#N)ccc1C(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826257190 607385115 /nfs/dbraw/zinc/38/51/15/607385115.db2.gz RMBQYXDHCNJESW-UHFFFAOYSA-N -1 3 349.350 2.283 20 30 EEEDHM Cc1cc(C#N)ccc1C(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826257190 607385117 /nfs/dbraw/zinc/38/51/17/607385117.db2.gz RMBQYXDHCNJESW-UHFFFAOYSA-N -1 3 349.350 2.283 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000826246782 607415978 /nfs/dbraw/zinc/41/59/78/607415978.db2.gz LCTCDIDDKLCLCC-UHFFFAOYSA-N -1 3 344.378 2.466 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000826246782 607415980 /nfs/dbraw/zinc/41/59/80/607415980.db2.gz LCTCDIDDKLCLCC-UHFFFAOYSA-N -1 3 344.378 2.466 20 30 EEEDHM Cc1cccc(N(CCC#N)C(=O)CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c1C ZINC000832971662 601531633 /nfs/dbraw/zinc/53/16/33/601531633.db2.gz SDXQYLFVWJDMBU-GDBMZVCRSA-N -1 3 343.427 2.203 20 30 EEEDHM COc1ccc(CNC(=O)Nc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000826200346 607553024 /nfs/dbraw/zinc/55/30/24/607553024.db2.gz LHALPMUGICVAPA-UHFFFAOYSA-N -1 3 349.354 2.069 20 30 EEEDHM COc1ccc(CNC(=O)Nc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000826200346 607553026 /nfs/dbraw/zinc/55/30/26/607553026.db2.gz LHALPMUGICVAPA-UHFFFAOYSA-N -1 3 349.354 2.069 20 30 EEEDHM CCN(C(=O)c1cc(-c2nnn[n-]2)cn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000821155327 606222591 /nfs/dbraw/zinc/22/25/91/606222591.db2.gz YDUOSSNZEPQAGW-GFCCVEGCSA-N -1 3 349.398 2.300 20 30 EEEDHM CCN(C(=O)c1cc(-c2nn[n-]n2)cn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000821155327 606222593 /nfs/dbraw/zinc/22/25/93/606222593.db2.gz YDUOSSNZEPQAGW-GFCCVEGCSA-N -1 3 349.398 2.300 20 30 EEEDHM C=C(Br)CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819719085 606346896 /nfs/dbraw/zinc/34/68/96/606346896.db2.gz YXDYRULWGCUITK-UHFFFAOYSA-N -1 3 341.144 2.036 20 30 EEEDHM C=C(Br)CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819719085 606346898 /nfs/dbraw/zinc/34/68/98/606346898.db2.gz YXDYRULWGCUITK-UHFFFAOYSA-N -1 3 341.144 2.036 20 30 EEEDHM C#Cc1cccc(N(CC)C(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819710116 606549985 /nfs/dbraw/zinc/54/99/85/606549985.db2.gz WNZJPUJRDCXEIQ-UHFFFAOYSA-N -1 3 331.379 2.444 20 30 EEEDHM C#Cc1cccc(N(CC)C(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819710116 606549987 /nfs/dbraw/zinc/54/99/87/606549987.db2.gz WNZJPUJRDCXEIQ-UHFFFAOYSA-N -1 3 331.379 2.444 20 30 EEEDHM N#Cc1cc(-c2nnn[n-]2)c(SCc2ccc(F)cc2F)nc1N ZINC000822818493 606627938 /nfs/dbraw/zinc/62/79/38/606627938.db2.gz ABELOYSVVCRNNC-UHFFFAOYSA-N -1 3 345.338 2.286 20 30 EEEDHM N#Cc1cc(-c2nn[n-]n2)c(SCc2ccc(F)cc2F)nc1N ZINC000822818493 606627940 /nfs/dbraw/zinc/62/79/40/606627940.db2.gz ABELOYSVVCRNNC-UHFFFAOYSA-N -1 3 345.338 2.286 20 30 EEEDHM C=C(C)COCCNc1c(-c2nnn[n-]2)cnc2c(C)cc(F)cc21 ZINC000819722494 606791404 /nfs/dbraw/zinc/79/14/04/606791404.db2.gz KILJNWLJGIEUFE-UHFFFAOYSA-N -1 3 342.378 2.289 20 30 EEEDHM C=C(C)COCCNc1c(-c2nn[n-]n2)cnc2c(C)cc(F)cc21 ZINC000819722494 606791405 /nfs/dbraw/zinc/79/14/05/606791405.db2.gz KILJNWLJGIEUFE-UHFFFAOYSA-N -1 3 342.378 2.289 20 30 EEEDHM COc1cc(F)cc(NN=Cc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000821720609 607036886 /nfs/dbraw/zinc/03/68/86/607036886.db2.gz WDLUCKLXVJPKTQ-UHFFFAOYSA-N -1 3 342.334 2.469 20 30 EEEDHM COc1cc(F)cc(NN=Cc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000821720609 607036887 /nfs/dbraw/zinc/03/68/87/607036887.db2.gz WDLUCKLXVJPKTQ-UHFFFAOYSA-N -1 3 342.334 2.469 20 30 EEEDHM CN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1C#N ZINC000825825961 607786776 /nfs/dbraw/zinc/78/67/76/607786776.db2.gz PTMGLMQKKKESKF-UHFFFAOYSA-N -1 3 340.293 2.293 20 30 EEEDHM CN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1C#N ZINC000825825961 607786777 /nfs/dbraw/zinc/78/67/77/607786777.db2.gz PTMGLMQKKKESKF-UHFFFAOYSA-N -1 3 340.293 2.293 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCc2ccc(C#N)cc21 ZINC000826245677 607950180 /nfs/dbraw/zinc/95/01/80/607950180.db2.gz FFLKPXBUJZNKFC-UHFFFAOYSA-N -1 3 330.351 2.250 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCc2ccc(C#N)cc21 ZINC000826245677 607950181 /nfs/dbraw/zinc/95/01/81/607950181.db2.gz FFLKPXBUJZNKFC-UHFFFAOYSA-N -1 3 330.351 2.250 20 30 EEEDHM C=CCNC(=S)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823924932 608474933 /nfs/dbraw/zinc/47/49/33/608474933.db2.gz AVCOGOHASPSMIH-UHFFFAOYSA-N -1 3 326.429 2.016 20 30 EEEDHM C=CCNC(=S)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823924932 608474935 /nfs/dbraw/zinc/47/49/35/608474935.db2.gz AVCOGOHASPSMIH-UHFFFAOYSA-N -1 3 326.429 2.016 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NOC1CCCC1 ZINC000823909733 608544654 /nfs/dbraw/zinc/54/46/54/608544654.db2.gz OYYUKDJXPSYLDJ-UHFFFAOYSA-N -1 3 342.403 2.439 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NOC1CCCC1 ZINC000823909733 608544655 /nfs/dbraw/zinc/54/46/55/608544655.db2.gz OYYUKDJXPSYLDJ-UHFFFAOYSA-N -1 3 342.403 2.439 20 30 EEEDHM CCN(CCC#N)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825419918 609364578 /nfs/dbraw/zinc/36/45/78/609364578.db2.gz VIHYZSFVEPFUAU-UHFFFAOYSA-N -1 3 335.209 2.365 20 30 EEEDHM CCN(CCC#N)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000825419918 609364580 /nfs/dbraw/zinc/36/45/80/609364580.db2.gz VIHYZSFVEPFUAU-UHFFFAOYSA-N -1 3 335.209 2.365 20 30 EEEDHM CC[C@H]1C[C@@H](CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CCO1 ZINC000825181285 609386325 /nfs/dbraw/zinc/38/63/25/609386325.db2.gz CMXYPWKLLFYZFE-FZMZJTMJSA-N -1 3 340.387 2.272 20 30 EEEDHM CC[C@H]1C[C@@H](CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCO1 ZINC000825181285 609386327 /nfs/dbraw/zinc/38/63/27/609386327.db2.gz CMXYPWKLLFYZFE-FZMZJTMJSA-N -1 3 340.387 2.272 20 30 EEEDHM CN(Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000971394552 676521746 /nfs/dbraw/zinc/52/17/46/676521746.db2.gz QHUZQJPMXYWBPN-LBPRGKRZSA-N -1 3 342.424 2.067 20 30 EEEDHM Cc1nc(N2CCN(c3c(C#N)cnc4ccccc43)CC2)cc(=O)[n-]1 ZINC000892170624 678197304 /nfs/dbraw/zinc/19/73/04/678197304.db2.gz KAWFHTARPXGBIB-UHFFFAOYSA-N -1 3 346.394 2.237 20 30 EEEDHM N#Cc1cnccc1N[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001060500385 683909645 /nfs/dbraw/zinc/90/96/45/683909645.db2.gz TXSZMUSPPKKCRB-FDQGKXFDSA-N -1 3 348.406 2.043 20 30 EEEDHM N#Cc1ccc(N[C@@H]2CC[C@H]3CN(C(=O)c4ccccc4[O-])C[C@H]32)nn1 ZINC001060500800 683912682 /nfs/dbraw/zinc/91/26/82/683912682.db2.gz WEMLCTXVLLRYLQ-APHBMKBZSA-N -1 3 349.394 2.017 20 30 EEEDHM C=C(Cl)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1[O-] ZINC000976192350 687426478 /nfs/dbraw/zinc/42/64/78/687426478.db2.gz NVWBJJWHHMJLMX-NHAGDIPZSA-N -1 3 348.830 2.358 20 30 EEEDHM COCCN1C[C@@H](C(=O)N([O-])Cc2cccc3ccccc32)CC1=O ZINC000904171002 694318186 /nfs/dbraw/zinc/31/81/86/694318186.db2.gz PSGRTYJTVRSYSV-INIZCTEOSA-N -1 3 342.395 2.053 20 30 EEEDHM C=C(C)CN1CC[C@@]2(CCN(C(=O)c3c(C)cccc3[O-])C2)C1=O ZINC001271659393 1186359979 /nfs/dbraw/zinc/35/99/79/1186359979.db2.gz FWXDISZZOMNTDX-IBGZPJMESA-N -1 3 328.412 2.341 20 30 EEEDHM C#CCN1CC[C@@]2(CCCN2C(=O)c2ccc([O-])c3ccccc23)C1=O ZINC001271970040 1186734315 /nfs/dbraw/zinc/73/43/15/1186734315.db2.gz HPSWFUWTAKUYIU-NRFANRHFSA-N -1 3 348.402 2.386 20 30 EEEDHM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1Cc1ccc(C#N)cc1 ZINC001088538896 1187190467 /nfs/dbraw/zinc/19/04/67/1187190467.db2.gz WZPIJQGQGFCZCI-CJNGLKHVSA-N -1 3 336.395 2.052 20 30 EEEDHM C=CCN1CC[C@H](N(CC)C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC001033886689 1195448252 /nfs/dbraw/zinc/44/82/52/1195448252.db2.gz BUCDYELBBOZRAY-AWEZNQCLSA-N -1 3 325.412 2.251 20 30 EEEDHM N#CC1(C[N-]S(=O)(=O)c2cccc(Br)n2)CCCC1 ZINC000872500074 1198215125 /nfs/dbraw/zinc/21/51/25/1198215125.db2.gz MKBNVOFJAWKFSY-UHFFFAOYSA-N -1 3 344.234 2.206 20 30 EEEDHM COC(=O)c1ccc(C(=O)COC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000811186641 1199916888 /nfs/dbraw/zinc/91/68/88/1199916888.db2.gz SFJUTBLFPBVDAE-UHFFFAOYSA-N -1 3 339.303 2.090 20 30 EEEDHM O=C(Nc1ccc(Cl)c2ncccc12)N[C@@H]1CCCN([O-])C1=O ZINC000878129240 1200273930 /nfs/dbraw/zinc/27/39/30/1200273930.db2.gz HSZGJDUKXLLHFE-GFCCVEGCSA-N -1 3 334.763 2.390 20 30 EEEDHM CCn1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)c1C ZINC000870141565 1200501522 /nfs/dbraw/zinc/50/15/22/1200501522.db2.gz AQBCWZPWDKTSIC-GFCCVEGCSA-N -1 3 326.356 2.181 20 30 EEEDHM O=C(Nc1ccc(-n2cccn2)c(Cl)c1)N[C@@H]1CCCN([O-])C1=O ZINC000878568048 1200547296 /nfs/dbraw/zinc/54/72/96/1200547296.db2.gz VPNHCZBGYQKNTR-GFCCVEGCSA-N -1 3 349.778 2.027 20 30 EEEDHM CC1(C)CCCc2sc(NC(=O)N[C@@H]3CCCN([O-])C3=O)nc21 ZINC000879608532 1201169776 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336.395 2.304 20 30 EEEDHM C[C@@H]1CN(c2ccc(C#N)nc2)CC[C@H]1NC(=O)c1ccccc1[O-] ZINC001067354971 1231557233 /nfs/dbraw/zinc/55/72/33/1231557233.db2.gz AYMAHIGLJSSTRD-CXAGYDPISA-N -1 3 336.395 2.304 20 30 EEEDHM N#Cc1ccc(N[C@@H]2C[C@@H](NC(=O)c3ccccc3[O-])C23CCC3)nn1 ZINC001041550049 1231591722 /nfs/dbraw/zinc/59/17/22/1231591722.db2.gz VDQORMNJLQTPHX-HZPDHXFCSA-N -1 3 349.394 2.207 20 30 EEEDHM CN(C)C(=O)COc1ccccc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901376882 1235637110 /nfs/dbraw/zinc/63/71/10/1235637110.db2.gz ZGODRQVVYNQKTH-UHFFFAOYSA-N -1 3 346.358 2.324 20 30 EEEDHM C=CCOC[C@H](NCc1c(C)nn(-c2ccc(F)cc2)c1C)C(=O)[O-] ZINC000901809302 1236364261 /nfs/dbraw/zinc/36/42/61/1236364261.db2.gz RDAKFWOTSCYVLW-KRWDZBQOSA-N -1 3 347.390 2.374 20 30 EEEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)C[C@]1(C)CC1(Cl)Cl ZINC000903122635 1239763343 /nfs/dbraw/zinc/76/33/43/1239763343.db2.gz BYLCJSIBDNWINC-DTWKUNHWSA-N -1 3 331.290 2.135 20 30 EEEDHM Cc1nc(N(C)[C@H]2CCN(C(=O)c3ccccc3[O-])C2)ccc1C#N ZINC001056863558 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EEEDHM COc1cccc(CNc2c(C#N)cccc2-c2nnn[n-]2)c1OC ZINC001605318297 1351134549 /nfs/dbraw/zinc/13/45/49/1351134549.db2.gz RNYHOHZYFQFNKE-UHFFFAOYSA-N -1 3 336.355 2.368 20 30 EEEDHM COc1cccc(CNc2c(C#N)cccc2-c2nn[n-]n2)c1OC ZINC001605318297 1351134551 /nfs/dbraw/zinc/13/45/51/1351134551.db2.gz RNYHOHZYFQFNKE-UHFFFAOYSA-N -1 3 336.355 2.368 20 30 EEEDHM C=CCOC[C@H]([N-]C(=O)C(F)(F)c1ccc(Cl)cc1)C(=O)OC ZINC001321144068 1333030107 /nfs/dbraw/zinc/03/01/07/1333030107.db2.gz DMBISMXCTQQZHK-LBPRGKRZSA-N -1 3 347.745 2.292 20 30 EEEDHM C=C(COc1c(-c2nnn[n-]2)cnc2ccc(C)cc21)C(=O)OCC ZINC001609052037 1351825150 /nfs/dbraw/zinc/82/51/50/1351825150.db2.gz IHLRYSNWJJPMGI-UHFFFAOYSA-N -1 3 339.355 2.221 20 30 EEEDHM C=C(COc1c(-c2nn[n-]n2)cnc2ccc(C)cc21)C(=O)OCC ZINC001609052037 1351825157 /nfs/dbraw/zinc/82/51/57/1351825157.db2.gz IHLRYSNWJJPMGI-UHFFFAOYSA-N -1 3 339.355 2.221 20 30 EEEDHM C=CCN(CC(=O)N[C@@H](C)C(C)C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609055928 1351825883 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/nfs/dbraw/zinc/92/76/31/1348927631.db2.gz JXXOWONPAWDRAU-UHFFFAOYSA-N -1 3 335.371 2.482 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccnc1 ZINC001588649181 1348927633 /nfs/dbraw/zinc/92/76/33/1348927633.db2.gz JXXOWONPAWDRAU-UHFFFAOYSA-N -1 3 335.371 2.482 20 30 EEEDHM C=CCn1cc(C(=O)Nc2cc3ccccc3cc2-c2nnn[n-]2)nn1 ZINC001588713724 1348930128 /nfs/dbraw/zinc/93/01/28/1348930128.db2.gz QYSCZGLFBIOUKD-UHFFFAOYSA-N -1 3 346.354 2.050 20 30 EEEDHM C=CCn1cc(C(=O)Nc2cc3ccccc3cc2-c2nn[n-]n2)nn1 ZINC001588713724 1348930129 /nfs/dbraw/zinc/93/01/29/1348930129.db2.gz QYSCZGLFBIOUKD-UHFFFAOYSA-N -1 3 346.354 2.050 20 30 EEEDHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(NCc2ccnc(C#N)c2)n1 ZINC001589222334 1348971761 /nfs/dbraw/zinc/97/17/61/1348971761.db2.gz IMDLSWCPUDJLKI-UHFFFAOYSA-N -1 3 334.387 2.438 20 30 EEEDHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(NCc2ccnc(C#N)c2)n1 ZINC001589222334 1348971762 /nfs/dbraw/zinc/97/17/62/1348971762.db2.gz IMDLSWCPUDJLKI-UHFFFAOYSA-N -1 3 334.387 2.438 20 30 EEEDHM CC(C)(CCC#N)CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001589273183 1348978260 /nfs/dbraw/zinc/97/82/60/1348978260.db2.gz XIZMBBLKQWEGCV-UHFFFAOYSA-N -1 3 334.330 2.205 20 30 EEEDHM CC(C)(CCC#N)CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001589273183 1348978265 /nfs/dbraw/zinc/97/82/65/1348978265.db2.gz XIZMBBLKQWEGCV-UHFFFAOYSA-N -1 3 334.330 2.205 20 30 EEEDHM CC(C)[C@]1(C)C[C@@H]1NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589491056 1348995638 /nfs/dbraw/zinc/99/56/38/1348995638.db2.gz OPRIBLBBEVEWKT-MPGHIAIKSA-N -1 3 338.415 2.100 20 30 EEEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C#N)n1C ZINC001589701889 1349021691 /nfs/dbraw/zinc/02/16/91/1349021691.db2.gz FXSSGAWWPPBIJC-UHFFFAOYSA-N -1 3 349.398 2.128 20 30 EEEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C#N)n1C ZINC001589701889 1349021696 /nfs/dbraw/zinc/02/16/96/1349021696.db2.gz FXSSGAWWPPBIJC-UHFFFAOYSA-N -1 3 349.398 2.128 20 30 EEEDHM CC1(C#N)CCN(c2cc(-c3nnn[n-]3)c(Br)cn2)CC1 ZINC001590056184 1349135541 /nfs/dbraw/zinc/13/55/41/1349135541.db2.gz APBPGJJLKWGSQR-UHFFFAOYSA-N -1 3 348.208 2.154 20 30 EEEDHM CC1(C#N)CCN(c2cc(-c3nn[n-]n3)c(Br)cn2)CC1 ZINC001590056184 1349135543 /nfs/dbraw/zinc/13/55/43/1349135543.db2.gz APBPGJJLKWGSQR-UHFFFAOYSA-N -1 3 348.208 2.154 20 30 EEEDHM CCC(N=Nc1nc2ccccn2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590358760 1349284044 /nfs/dbraw/zinc/28/40/44/1349284044.db2.gz GELLHSNKOFRBBV-UHFFFAOYSA-N -1 3 333.359 2.136 20 30 EEEDHM CCC(N=Nc1nc2ccccn2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590358760 1349284049 /nfs/dbraw/zinc/28/40/49/1349284049.db2.gz GELLHSNKOFRBBV-UHFFFAOYSA-N -1 3 333.359 2.136 20 30 EEEDHM CCc1cc(C#N)ccc1OC(=O)COc1ccccc1-c1nnn[n-]1 ZINC001590878714 1349409171 /nfs/dbraw/zinc/40/91/71/1349409171.db2.gz ZEMVLUAWBHDRPY-UHFFFAOYSA-N -1 3 349.350 2.285 20 30 EEEDHM CCc1cc(C#N)ccc1OC(=O)COc1ccccc1-c1nn[n-]n1 ZINC001590878714 1349409176 /nfs/dbraw/zinc/40/91/76/1349409176.db2.gz ZEMVLUAWBHDRPY-UHFFFAOYSA-N -1 3 349.350 2.285 20 30 EEEDHM CN(C[C@@H](O)c1cccc(-c2nnn[n-]2)c1)[C@@H](C#N)c1ccccc1 ZINC001591053014 1349435492 /nfs/dbraw/zinc/43/54/92/1349435492.db2.gz KSUIREVOUQWXRX-DLBZAZTESA-N -1 3 334.383 2.097 20 30 EEEDHM CN(C[C@@H](O)c1cccc(-c2nn[n-]n2)c1)[C@@H](C#N)c1ccccc1 ZINC001591053014 1349435501 /nfs/dbraw/zinc/43/55/01/1349435501.db2.gz KSUIREVOUQWXRX-DLBZAZTESA-N -1 3 334.383 2.097 20 30 EEEDHM CN(Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1)[C@@H]1CCC[C@H]1C#N ZINC001591154570 1349441382 /nfs/dbraw/zinc/44/13/82/1349441382.db2.gz ZPHADWBQNKEXGH-DOTOQJQBSA-N -1 3 348.414 2.312 20 30 EEEDHM CN(Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1)[C@@H]1CCC[C@H]1C#N ZINC001591154570 1349441386 /nfs/dbraw/zinc/44/13/86/1349441386.db2.gz ZPHADWBQNKEXGH-DOTOQJQBSA-N -1 3 348.414 2.312 20 30 EEEDHM COCC1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CCCCC1 ZINC001591385345 1349478561 /nfs/dbraw/zinc/47/85/61/1349478561.db2.gz AAPSQMMRRHWLRG-UHFFFAOYSA-N -1 3 340.387 2.274 20 30 EEEDHM COCC1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CCCCC1 ZINC001591385345 1349478566 /nfs/dbraw/zinc/47/85/66/1349478566.db2.gz AAPSQMMRRHWLRG-UHFFFAOYSA-N -1 3 340.387 2.274 20 30 EEEDHM N#Cc1ccc(OC2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)cc1 ZINC001592696012 1349707597 /nfs/dbraw/zinc/70/75/97/1349707597.db2.gz XTWJGAJIRLEOQS-UHFFFAOYSA-N -1 3 338.396 2.063 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1Nc1ccn(Cc2ccccn2)n1 ZINC001592700842 1349708887 /nfs/dbraw/zinc/70/88/87/1349708887.db2.gz YJYQONKCOISTFA-UHFFFAOYSA-N -1 3 343.354 2.122 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1Nc1ccn(Cc2ccccn2)n1 ZINC001592700842 1349708892 /nfs/dbraw/zinc/70/88/92/1349708892.db2.gz YJYQONKCOISTFA-UHFFFAOYSA-N -1 3 343.354 2.122 20 30 EEEDHM O=c1[nH]c2ccccc2cc1C=NCc1ccc(-c2nnn[n-]2)cn1 ZINC001593541077 1349837815 /nfs/dbraw/zinc/83/78/15/1349837815.db2.gz AQELSXWEUGSJBA-LSCVHKIXSA-N -1 3 331.339 2.135 20 30 EEEDHM O=c1[nH]c2ccccc2cc1C=NCc1ccc(-c2nn[n-]n2)cn1 ZINC001593541077 1349837817 /nfs/dbraw/zinc/83/78/17/1349837817.db2.gz AQELSXWEUGSJBA-LSCVHKIXSA-N -1 3 331.339 2.135 20 30 EEEDHM N#CCCC[C@@H](N)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001601067094 1350201489 /nfs/dbraw/zinc/20/14/89/1350201489.db2.gz TVYADBKGEFVBDH-CQSZACIVSA-N -1 3 341.367 2.263 20 30 EEEDHM C#C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001602690737 1350573953 /nfs/dbraw/zinc/57/39/53/1350573953.db2.gz HKAVNOOCNAZKOK-ZDUSSCGKSA-N -1 3 339.290 2.095 20 30 EEEDHM C#C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001602690737 1350573955 /nfs/dbraw/zinc/57/39/55/1350573955.db2.gz HKAVNOOCNAZKOK-ZDUSSCGKSA-N -1 3 339.290 2.095 20 30 EEEDHM C#CCC[C@@H](O)CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC001602702013 1350575649 /nfs/dbraw/zinc/57/56/49/1350575649.db2.gz BJYLVSVSZLVGIJ-SNVBAGLBSA-N -1 3 325.294 2.072 20 30 EEEDHM C#CCC[C@@H](O)CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC001602702013 1350575650 /nfs/dbraw/zinc/57/56/50/1350575650.db2.gz BJYLVSVSZLVGIJ-SNVBAGLBSA-N -1 3 325.294 2.072 20 30 EEEDHM C=CCC(CC=C)C(=O)N(C)C[C@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001602811167 1350589618 /nfs/dbraw/zinc/58/96/18/1350589618.db2.gz GOTBABIKOAIIJL-INIZCTEOSA-N -1 3 341.415 2.127 20 30 EEEDHM C=CCC(CC=C)C(=O)N(C)C[C@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001602811167 1350589620 /nfs/dbraw/zinc/58/96/20/1350589620.db2.gz GOTBABIKOAIIJL-INIZCTEOSA-N -1 3 341.415 2.127 20 30 EEEDHM C=CC[C@H](CC)NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001602811787 1350589678 /nfs/dbraw/zinc/58/96/78/1350589678.db2.gz PMMYRGZYOKFNBM-LBPRGKRZSA-N -1 3 330.392 2.029 20 30 EEEDHM C=CC[C@H](CC)NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001602811787 1350589680 /nfs/dbraw/zinc/58/96/80/1350589680.db2.gz PMMYRGZYOKFNBM-LBPRGKRZSA-N -1 3 330.392 2.029 20 30 EEEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001602825313 1350592109 /nfs/dbraw/zinc/59/21/09/1350592109.db2.gz XMGYOFQYMLIWEK-CQSZACIVSA-N -1 3 343.362 2.146 20 30 EEEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001602825313 1350592110 /nfs/dbraw/zinc/59/21/10/1350592110.db2.gz XMGYOFQYMLIWEK-CQSZACIVSA-N -1 3 343.362 2.146 20 30 EEEDHM C=CCN(CC(=O)c1cccn1C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001602849978 1350595938 /nfs/dbraw/zinc/59/59/38/1350595938.db2.gz KTBYJXJXYVUGBD-UHFFFAOYSA-N -1 3 336.399 2.076 20 30 EEEDHM C=CCN(CC(=O)c1cccn1C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602849978 1350595939 /nfs/dbraw/zinc/59/59/39/1350595939.db2.gz KTBYJXJXYVUGBD-UHFFFAOYSA-N -1 3 336.399 2.076 20 30 EEEDHM CC(C)(NC(=O)C#Cc1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC001603161606 1350652643 /nfs/dbraw/zinc/65/26/43/1350652643.db2.gz RNOXLSWRVINXLB-UHFFFAOYSA-N -1 3 337.408 2.331 20 30 EEEDHM CC(C)(NC(=O)C#Cc1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC001603161606 1350652650 /nfs/dbraw/zinc/65/26/50/1350652650.db2.gz RNOXLSWRVINXLB-UHFFFAOYSA-N -1 3 337.408 2.331 20 30 EEEDHM CN(C)c1ccccc1CNN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC001604702171 1350987856 /nfs/dbraw/zinc/98/78/56/1350987856.db2.gz JSQUAPUQKKSMES-UHFFFAOYSA-N -1 3 339.378 2.196 20 30 EEEDHM CN(C)c1ccccc1CNN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC001604702171 1350987859 /nfs/dbraw/zinc/98/78/59/1350987859.db2.gz JSQUAPUQKKSMES-UHFFFAOYSA-N -1 3 339.378 2.196 20 30 EEEDHM COc1cc(OC)c2ncc(-c3nnn[n-]3)c(SCCC#N)c2c1 ZINC001605233561 1351111763 /nfs/dbraw/zinc/11/17/63/1351111763.db2.gz GKNGXRCGPOJQMB-UHFFFAOYSA-N -1 3 342.384 2.438 20 30 EEEDHM COc1cc(OC)c2ncc(-c3nn[n-]n3)c(SCCC#N)c2c1 ZINC001605233561 1351111765 /nfs/dbraw/zinc/11/17/65/1351111765.db2.gz GKNGXRCGPOJQMB-UHFFFAOYSA-N -1 3 342.384 2.438 20 30 EEEDHM Cc1c2ccccn2c(NC(=O)c2coc(C#N)c2)c1-c1nnn[n-]1 ZINC001605468424 1351163897 /nfs/dbraw/zinc/16/38/97/1351163897.db2.gz WABGXVPHRSGMOS-UHFFFAOYSA-N -1 3 333.311 2.145 20 30 EEEDHM Cc1c2ccccn2c(NC(=O)c2coc(C#N)c2)c1-c1nn[n-]n1 ZINC001605468424 1351163900 /nfs/dbraw/zinc/16/39/00/1351163900.db2.gz WABGXVPHRSGMOS-UHFFFAOYSA-N -1 3 333.311 2.145 20 30 EEEDHM Cc1cc2c(c(C)c1)NC(=O)C2=NOCc1ccc(-c2nnn[n-]2)cc1 ZINC001605643224 1351208997 /nfs/dbraw/zinc/20/89/97/1351208997.db2.gz CXIRUKYSTSCASK-UHFFFAOYSA-N -1 3 348.366 2.357 20 30 EEEDHM Cc1cc2c(c(C)c1)NC(=O)C2=NOCc1ccc(-c2nn[n-]n2)cc1 ZINC001605643224 1351209000 /nfs/dbraw/zinc/20/90/00/1351209000.db2.gz CXIRUKYSTSCASK-UHFFFAOYSA-N -1 3 348.366 2.357 20 30 EEEDHM Cc1ccc(C(=O)OCC(=O)c2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC001605824941 1351229567 /nfs/dbraw/zinc/22/95/67/1351229567.db2.gz IEBYJKVBGXRWQM-UHFFFAOYSA-N -1 3 347.334 2.087 20 30 EEEDHM Cc1ccc(C(=O)OCC(=O)c2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC001605824941 1351229572 /nfs/dbraw/zinc/22/95/72/1351229572.db2.gz IEBYJKVBGXRWQM-UHFFFAOYSA-N -1 3 347.334 2.087 20 30 EEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CCCOc1cccc(Cl)c1 ZINC001606024035 1351264375 /nfs/dbraw/zinc/26/43/75/1351264375.db2.gz SZKTYKZNGHOSGN-UHFFFAOYSA-N -1 3 343.778 2.366 20 30 EEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CCCOc1cccc(Cl)c1 ZINC001606024035 1351264381 /nfs/dbraw/zinc/26/43/81/1351264381.db2.gz SZKTYKZNGHOSGN-UHFFFAOYSA-N -1 3 343.778 2.366 20 30 EEEDHM N#CC[C@@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)C1 ZINC001606346560 1351295593 /nfs/dbraw/zinc/29/55/93/1351295593.db2.gz SRNAQCXQAQWAOD-VIFPVBQESA-N -1 3 347.329 2.302 20 30 EEEDHM N#CC[C@@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)C1 ZINC001606346560 1351295599 /nfs/dbraw/zinc/29/55/99/1351295599.db2.gz SRNAQCXQAQWAOD-VIFPVBQESA-N -1 3 347.329 2.302 20 30 EEEDHM N#CCOc1cccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC001606351571 1351296890 /nfs/dbraw/zinc/29/68/90/1351296890.db2.gz WKLUIYGWGIEBBF-UHFFFAOYSA-N -1 3 349.354 2.091 20 30 EEEDHM N#CCOc1cccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC001606351571 1351296892 /nfs/dbraw/zinc/29/68/92/1351296892.db2.gz WKLUIYGWGIEBBF-UHFFFAOYSA-N -1 3 349.354 2.091 20 30 EEEDHM N#Cc1cscc1C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001606388668 1351300594 /nfs/dbraw/zinc/30/05/94/1351300594.db2.gz CIZWBCPWSAUAQS-UHFFFAOYSA-N -1 3 341.352 2.036 20 30 EEEDHM N#C[C@@H]1CCC[C@H](N[C@@H]2CCc3cc(C(=O)[O-])ccc3NC2=O)C1 ZINC001608177991 1351641348 /nfs/dbraw/zinc/64/13/48/1351641348.db2.gz DZRZMOYJOLUFOB-DIOULYMOSA-N -1 3 327.384 2.310 20 30 EEEDHM N#CC[C@@]1(O)CCN([C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC001608181344 1351641586 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Cc1ncc(CO)c(/C=N\Cc2nccc(C(F)(F)F)n2)c1[O-] ZINC000840710448 1315402030 /nfs/dbraw/zinc/40/20/30/1315402030.db2.gz JMZUBXNSZOPLJO-DVZOWYKESA-N -1 3 326.278 2.016 20 30 EEEDHM C#CCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000841495880 1315565191 /nfs/dbraw/zinc/56/51/91/1315565191.db2.gz JZIKESNFINYCGK-UHFFFAOYSA-N -1 3 336.291 2.305 20 30 EEEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccn(CC)n1 ZINC000842685716 1315754140 /nfs/dbraw/zinc/75/41/40/1315754140.db2.gz HJEXNIXAPMGJLX-GFCCVEGCSA-N -1 3 326.356 2.263 20 30 EEEDHM Cn1ncc(Cl)c1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259107870 1319445316 /nfs/dbraw/zinc/44/53/16/1319445316.db2.gz WHVIIRTZENHFFC-UHFFFAOYSA-N -1 3 331.184 2.399 20 30 EEEDHM CC[C@@H](CC#N)NC(=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001590420302 1349315633 /nfs/dbraw/zinc/31/56/33/1349315633.db2.gz WQMQFBOKABSYJI-VIFPVBQESA-N -1 3 349.192 2.051 20 30 EEEDHM CC[C@@H](CC#N)NC(=O)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001590420302 1349315637 /nfs/dbraw/zinc/31/56/37/1349315637.db2.gz WQMQFBOKABSYJI-VIFPVBQESA-N -1 3 349.192 2.051 20 30 EEEDHM C#CCN(C(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC001602714695 1350576684 /nfs/dbraw/zinc/57/66/84/1350576684.db2.gz ZDSMDOSNRHFHAW-AWEZNQCLSA-N -1 3 337.427 2.450 20 30 EEEDHM C#CCN(C(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC001602714695 1350576688 /nfs/dbraw/zinc/57/66/88/1350576688.db2.gz ZDSMDOSNRHFHAW-AWEZNQCLSA-N -1 3 337.427 2.450 20 30 EEEDHM C=CC(C)(C)C(=O)N(C)C[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001602780430 1350585405 /nfs/dbraw/zinc/58/54/05/1350585405.db2.gz MWHWTIVONADUKT-NSHDSACASA-N -1 3 346.410 2.477 20 30 EEEDHM C=CC(C)(C)C(=O)N(C)C[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001602780430 1350585407 /nfs/dbraw/zinc/58/54/07/1350585407.db2.gz MWHWTIVONADUKT-NSHDSACASA-N -1 3 346.410 2.477 20 30 EEEDHM CC(C)N1c2ccccc2C(=NNc2cccc(-c3nnn[n-]3)c2)C1=O ZINC001603330740 1350688983 /nfs/dbraw/zinc/68/89/83/1350688983.db2.gz GUVCXIROZZGLBE-UHFFFAOYSA-N -1 3 347.382 2.438 20 30 EEEDHM CC(C)N1c2ccccc2C(=NNc2cccc(-c3nn[n-]n3)c2)C1=O ZINC001603330740 1350688984 /nfs/dbraw/zinc/68/89/84/1350688984.db2.gz GUVCXIROZZGLBE-UHFFFAOYSA-N -1 3 347.382 2.438 20 30 EEEDHM N#Cc1cc(F)ccc1CS(=O)(=O)NCc1c([O-])cccc1F ZINC001309878001 1331645907 /nfs/dbraw/zinc/64/59/07/1331645907.db2.gz ADHDZDWROYSMRA-UHFFFAOYSA-N -1 3 338.335 2.162 20 30 EEEDHM Cc1nc[n-]c(=O)c1CCC(=O)OCCCOc1cccc(C#N)c1 ZINC001319734535 1332753237 /nfs/dbraw/zinc/75/32/37/1332753237.db2.gz RRZPSSROFLIBFF-UHFFFAOYSA-N -1 3 341.367 2.307 20 30 EEEDHM C#CCN(CC#CC)Cc1ccc(Br)cc1-c1nnn[n-]1 ZINC001609021053 1351817013 /nfs/dbraw/zinc/81/70/13/1351817013.db2.gz ZRDMOLKZWYVHHR-UHFFFAOYSA-N -1 3 344.216 2.088 20 30 EEEDHM C#CCN(CC#CC)Cc1ccc(Br)cc1-c1nn[n-]n1 ZINC001609021053 1351817015 /nfs/dbraw/zinc/81/70/15/1351817015.db2.gz ZRDMOLKZWYVHHR-UHFFFAOYSA-N -1 3 344.216 2.088 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1 ZINC001609051319 1351823781 /nfs/dbraw/zinc/82/37/81/1351823781.db2.gz VQWXEGMZBNYXLG-DOMZBBRYSA-N -1 3 342.403 2.278 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001609051319 1351823783 /nfs/dbraw/zinc/82/37/83/1351823783.db2.gz VQWXEGMZBNYXLG-DOMZBBRYSA-N -1 3 342.403 2.278 20 30 EEEDHM C=C(C)C[C@@H](C)C(=O)OCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC001609050926 1351823926 /nfs/dbraw/zinc/82/39/26/1351823926.db2.gz HZDLWYYLNPGUPB-GFCCVEGCSA-N -1 3 346.387 2.400 20 30 EEEDHM C=C(C)C[C@@H](C)C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC001609050926 1351823932 /nfs/dbraw/zinc/82/39/32/1351823932.db2.gz HZDLWYYLNPGUPB-GFCCVEGCSA-N -1 3 346.387 2.400 20 30 EEEDHM C=C(C)[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1NC)OCC ZINC001609051280 1351823945 /nfs/dbraw/zinc/82/39/45/1351823945.db2.gz UTWIDZHAAJKIET-AWEZNQCLSA-N -1 3 330.392 2.218 20 30 EEEDHM CC(=O)c1ccc(CNc2c(C#N)cccc2-c2nnn[n-]2)nc1C ZINC001609066989 1351829940 /nfs/dbraw/zinc/82/99/40/1351829940.db2.gz FFBVDZZKSJRQCD-UHFFFAOYSA-N -1 3 333.355 2.257 20 30 EEEDHM CC(=O)c1ccc(CNc2c(C#N)cccc2-c2nn[n-]n2)nc1C ZINC001609066989 1351829942 /nfs/dbraw/zinc/82/99/42/1351829942.db2.gz FFBVDZZKSJRQCD-UHFFFAOYSA-N -1 3 333.355 2.257 20 30 EEEDHM CN1CCC(=N[N-]S(=O)(=O)CCc2ccccc2)c2ccccc21 ZINC001323518610 1333480921 /nfs/dbraw/zinc/48/09/21/1333480921.db2.gz OTJBSEFQKIEEHI-UHFFFAOYSA-N -1 3 343.452 2.393 20 30 EEEDHM Cc1ncc(CO)c(/C=N\Cc2cc(OCC(F)F)ccn2)c1[O-] ZINC001323522144 1333481393 /nfs/dbraw/zinc/48/13/93/1333481393.db2.gz NUNRAHKYTZNPAH-GXHLCREISA-N -1 3 337.326 2.246 20 30 EEEDHM CC1(C#N)CCN(C(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC001609142118 1351858842 /nfs/dbraw/zinc/85/88/42/1351858842.db2.gz MHSNMESXLPPZPM-UHFFFAOYSA-N -1 3 330.779 2.286 20 30 EEEDHM CC1(C#N)CCN(C(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC001609142118 1351858847 /nfs/dbraw/zinc/85/88/47/1351858847.db2.gz MHSNMESXLPPZPM-UHFFFAOYSA-N -1 3 330.779 2.286 20 30 EEEDHM COC(=O)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)o1 ZINC001609302815 1351925147 /nfs/dbraw/zinc/92/51/47/1351925147.db2.gz KBGNGOMEGRZCIE-UTCJRWHESA-N -1 3 342.286 2.282 20 30 EEEDHM COC(=O)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)o1 ZINC001609302815 1351925149 /nfs/dbraw/zinc/92/51/49/1351925149.db2.gz KBGNGOMEGRZCIE-UTCJRWHESA-N -1 3 342.286 2.282 20 30 EEEDHM N#Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2NC2CC2)o1 ZINC001609498927 1352000072 /nfs/dbraw/zinc/00/00/72/1352000072.db2.gz YAMROSCNAWSYSZ-UHFFFAOYSA-N -1 3 335.327 2.158 20 30 EEEDHM C=CCn1c(CCc2nnn[n-]2)nnc1N1CCC[C@H]1CCC(C)C ZINC001339501856 1337016360 /nfs/dbraw/zinc/01/63/60/1337016360.db2.gz XDRHYQXKRFFDPK-AWEZNQCLSA-N -1 3 344.467 2.167 20 30 EEEDHM C=CCn1c(CCc2nn[n-]n2)nnc1N1CCC[C@H]1CCC(C)C ZINC001339501856 1337016363 /nfs/dbraw/zinc/01/63/63/1337016363.db2.gz XDRHYQXKRFFDPK-AWEZNQCLSA-N -1 3 344.467 2.167 20 30 EEEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001343580244 1337338814 /nfs/dbraw/zinc/33/88/14/1337338814.db2.gz BRUODXIAOUROIN-LBPRGKRZSA-N -1 3 344.419 2.021 20 30 EEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(C)[C@H]1C[C@@H](OC)C12CCC2 ZINC001351789242 1337849375 /nfs/dbraw/zinc/84/93/75/1337849375.db2.gz IHICKZVQONMLEU-QWHCGFSZSA-N -1 3 345.403 2.219 20 30 EEEDHM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](C(=O)[O-])[C@H]2C)cc1 ZINC001610505757 1352235037 /nfs/dbraw/zinc/23/50/37/1352235037.db2.gz ZGKTTZDSDPOWNR-HLLBOEOZSA-N -1 3 343.427 2.425 20 30 EEEDHM N#Cc1cccc(NCc2ccc(-c3nnn[n-]3)c(F)c2)c1[N+](=O)[O-] ZINC001581875754 1344684443 /nfs/dbraw/zinc/68/44/43/1344684443.db2.gz NWAKQWARDMTQQV-UHFFFAOYSA-N -1 3 339.290 2.398 20 30 EEEDHM N#Cc1cccc(NCc2ccc(-c3nn[n-]n3)c(F)c2)c1[N+](=O)[O-] ZINC001581875754 1344684445 /nfs/dbraw/zinc/68/44/45/1344684445.db2.gz NWAKQWARDMTQQV-UHFFFAOYSA-N -1 3 339.290 2.398 20 30 EEEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588333949 1348891646 /nfs/dbraw/zinc/89/16/46/1348891646.db2.gz JKJSYSQBUGMLSC-HNNXBMFYSA-N -1 3 349.369 2.370 20 30 EEEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588333949 1348891649 /nfs/dbraw/zinc/89/16/49/1348891649.db2.gz JKJSYSQBUGMLSC-HNNXBMFYSA-N -1 3 349.369 2.370 20 30 EEEDHM C=C(C)C[C@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001588405961 1348900995 /nfs/dbraw/zinc/90/09/95/1348900995.db2.gz QRTAXMQWXARUNZ-RYUDHWBXSA-N -1 3 343.387 2.339 20 30 EEEDHM C=C(C)C[C@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001588405961 1348900996 /nfs/dbraw/zinc/90/09/96/1348900996.db2.gz QRTAXMQWXARUNZ-RYUDHWBXSA-N -1 3 343.387 2.339 20 30 EEEDHM C=C(C)CCC(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588415528 1348903550 /nfs/dbraw/zinc/90/35/50/1348903550.db2.gz NCUMERVSQWURRP-VXGBXAGGSA-N -1 3 343.435 2.232 20 30 EEEDHM C=C(C)CCC(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588415528 1348903551 /nfs/dbraw/zinc/90/35/51/1348903551.db2.gz NCUMERVSQWURRP-VXGBXAGGSA-N -1 3 343.435 2.232 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC001588442918 1348904822 /nfs/dbraw/zinc/90/48/22/1348904822.db2.gz SJKDYBFGVWOBLB-IUODEOHRSA-N -1 3 343.387 2.185 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC001588442918 1348904826 /nfs/dbraw/zinc/90/48/26/1348904826.db2.gz SJKDYBFGVWOBLB-IUODEOHRSA-N -1 3 343.387 2.185 20 30 EEEDHM C=C(CC(C)C)C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588442774 1348904837 /nfs/dbraw/zinc/90/48/37/1348904837.db2.gz RDTLEHCFQQQLMF-MRXNPFEDSA-N -1 3 341.415 2.369 20 30 EEEDHM C=C(CC(C)C)C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588442774 1348904840 /nfs/dbraw/zinc/90/48/40/1348904840.db2.gz RDTLEHCFQQQLMF-MRXNPFEDSA-N -1 3 341.415 2.369 20 30 EEEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)[nH]2)nnc1N(C)CC(C)C ZINC001588430252 1348905418 /nfs/dbraw/zinc/90/54/18/1348905418.db2.gz UWQODCPRWQHXMZ-UHFFFAOYSA-N -1 3 341.423 2.122 20 30 EEEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)[nH]2)nnc1N(C)CC(C)C ZINC001588430252 1348905420 /nfs/dbraw/zinc/90/54/20/1348905420.db2.gz UWQODCPRWQHXMZ-UHFFFAOYSA-N -1 3 341.423 2.122 20 30 EEEDHM C=CC(C)(C)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588469254 1348907285 /nfs/dbraw/zinc/90/72/85/1348907285.db2.gz ZOOMUPUWQWLNKX-UHFFFAOYSA-N -1 3 341.415 2.449 20 30 EEEDHM C=CC(C)(C)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588469254 1348907288 /nfs/dbraw/zinc/90/72/88/1348907288.db2.gz ZOOMUPUWQWLNKX-UHFFFAOYSA-N -1 3 341.415 2.449 20 30 EEEDHM C=CC(C)(C)C(=O)OCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC001588482445 1348908335 /nfs/dbraw/zinc/90/83/35/1348908335.db2.gz WVMXKQIPQRLZEN-UHFFFAOYSA-N -1 3 332.360 2.010 20 30 EEEDHM C=CC(C)(C)C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC001588482445 1348908338 /nfs/dbraw/zinc/90/83/38/1348908338.db2.gz WVMXKQIPQRLZEN-UHFFFAOYSA-N -1 3 332.360 2.010 20 30 EEEDHM C=CC(C)(C)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001588488744 1348908869 /nfs/dbraw/zinc/90/88/69/1348908869.db2.gz OJLBBNXJUNAWTO-UHFFFAOYSA-N -1 3 329.404 2.497 20 30 EEEDHM C=CC(C)(C)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001588488744 1348908873 /nfs/dbraw/zinc/90/88/73/1348908873.db2.gz OJLBBNXJUNAWTO-UHFFFAOYSA-N -1 3 329.404 2.497 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588487666 1348909413 /nfs/dbraw/zinc/90/94/13/1348909413.db2.gz ABCAGFRKZSFHOQ-PXAZEXFGSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@@](C)(CC)C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588487666 1348909416 /nfs/dbraw/zinc/90/94/16/1348909416.db2.gz ABCAGFRKZSFHOQ-PXAZEXFGSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@H](CC)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588525002 1348912659 /nfs/dbraw/zinc/91/26/59/1348912659.db2.gz AABMYPRGGFVASX-SNVBAGLBSA-N -1 3 331.332 2.420 20 30 EEEDHM C=C[C@H](CC)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588525002 1348912662 /nfs/dbraw/zinc/91/26/62/1348912662.db2.gz AABMYPRGGFVASX-SNVBAGLBSA-N -1 3 331.332 2.420 20 30 EEEDHM C=C[C@H](CC)CC(=O)N[C@H](C)CCNc1ncccc1-c1nnn[n-]1 ZINC001588520569 1348912723 /nfs/dbraw/zinc/91/27/23/1348912723.db2.gz CMFOOIBZAZQFCZ-CHWSQXEVSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@H](CC)CC(=O)N[C@H](C)CCNc1ncccc1-c1nn[n-]n1 ZINC001588520569 1348912730 /nfs/dbraw/zinc/91/27/30/1348912730.db2.gz CMFOOIBZAZQFCZ-CHWSQXEVSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@@H](CC)OC(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588525605 1348913320 /nfs/dbraw/zinc/91/33/20/1348913320.db2.gz JFDKDPZCRJZEAL-QMMMGPOBSA-N -1 3 327.266 2.402 20 30 EEEDHM C=CCCC(=O)N[C@H]1CC[C@H](Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001588575883 1348920043 /nfs/dbraw/zinc/92/00/43/1348920043.db2.gz AWYNNLBZABIZBD-JOCQHMNTSA-N -1 3 341.419 2.067 20 30 EEEDHM C=CCCC(=O)N[C@H]1CC[C@H](Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001588575883 1348920047 /nfs/dbraw/zinc/92/00/47/1348920047.db2.gz AWYNNLBZABIZBD-JOCQHMNTSA-N -1 3 341.419 2.067 20 30 EEEDHM C=CCC[C@H]1CCCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588582826 1348920951 /nfs/dbraw/zinc/92/09/51/1348920951.db2.gz PIKDXVLYPMTVIR-HNNXBMFYSA-N -1 3 347.444 2.127 20 30 EEEDHM C=CCC[C@H]1CCCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588582826 1348920953 /nfs/dbraw/zinc/92/09/53/1348920953.db2.gz PIKDXVLYPMTVIR-HNNXBMFYSA-N -1 3 347.444 2.127 20 30 EEEDHM C=CCCC[C@@H](C)NC(=O)NCc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588593836 1348921957 /nfs/dbraw/zinc/92/19/57/1348921957.db2.gz HSTIEEGNGISFBZ-GFCCVEGCSA-N -1 3 344.419 2.419 20 30 EEEDHM C=CCCC[C@@H](C)NC(=O)NCc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588593836 1348921960 /nfs/dbraw/zinc/92/19/60/1348921960.db2.gz HSTIEEGNGISFBZ-GFCCVEGCSA-N -1 3 344.419 2.419 20 30 EEEDHM C=CCCO[C@H](C)C(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588608986 1348923146 /nfs/dbraw/zinc/92/31/46/1348923146.db2.gz GYNDOCXVZVSYJO-QWHCGFSZSA-N -1 3 329.404 2.367 20 30 EEEDHM C=CCCO[C@H](C)C(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588608986 1348923147 /nfs/dbraw/zinc/92/31/47/1348923147.db2.gz GYNDOCXVZVSYJO-QWHCGFSZSA-N -1 3 329.404 2.367 20 30 EEEDHM C=CCN(C)c1c(-c2nnn[n-]2)cnc2c(OC)cc(OC)cc21 ZINC001588626667 1348924442 /nfs/dbraw/zinc/92/44/42/1348924442.db2.gz PDBBJKMEPFKTPE-UHFFFAOYSA-N -1 3 326.360 2.054 20 30 EEEDHM C=CCN(C)c1c(-c2nn[n-]n2)cnc2c(OC)cc(OC)cc21 ZINC001588626667 1348924446 /nfs/dbraw/zinc/92/44/46/1348924446.db2.gz PDBBJKMEPFKTPE-UHFFFAOYSA-N -1 3 326.360 2.054 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(C(C)C)COC1 ZINC001588639049 1348926245 /nfs/dbraw/zinc/92/62/45/1348926245.db2.gz MYTKTDDBAZEGST-UHFFFAOYSA-N -1 3 341.415 2.054 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(C(C)C)COC1 ZINC001588639049 1348926248 /nfs/dbraw/zinc/92/62/48/1348926248.db2.gz MYTKTDDBAZEGST-UHFFFAOYSA-N -1 3 341.415 2.054 20 30 EEEDHM C=CCN(Cc1cnc2n1CCC2)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588649212 1348927337 /nfs/dbraw/zinc/92/73/37/1348927337.db2.gz WUUGMSAEPZONAG-UHFFFAOYSA-N -1 3 335.415 2.198 20 30 EEEDHM C=CCSCCNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001588688185 1348928903 /nfs/dbraw/zinc/92/89/03/1348928903.db2.gz AIWHMUNVSTWJEQ-UONOGXRCSA-N -1 3 329.429 2.006 20 30 EEEDHM C=CCSCCNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001588688185 1348928907 /nfs/dbraw/zinc/92/89/07/1348928907.db2.gz AIWHMUNVSTWJEQ-UONOGXRCSA-N -1 3 329.429 2.006 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588719112 1348930695 /nfs/dbraw/zinc/93/06/95/1348930695.db2.gz XXUOPTMQKYIOIB-CVEARBPZSA-N -1 3 341.415 2.196 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588719112 1348930699 /nfs/dbraw/zinc/93/06/99/1348930699.db2.gz XXUOPTMQKYIOIB-CVEARBPZSA-N -1 3 341.415 2.196 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1CNc1c(-c2nnn[n-]2)cnc2ccc(C)cc21 ZINC001588726136 1348931170 /nfs/dbraw/zinc/93/11/70/1348931170.db2.gz UXLUYYAJMXDHGA-LRDDRELGSA-N -1 3 336.399 2.148 20 30 EEEDHM C=C[C@@H]1OCC[C@H]1CNc1c(-c2nn[n-]n2)cnc2ccc(C)cc21 ZINC001588726136 1348931173 /nfs/dbraw/zinc/93/11/73/1348931173.db2.gz UXLUYYAJMXDHGA-LRDDRELGSA-N -1 3 336.399 2.148 20 30 EEEDHM C[C@]1(C#N)CCN(c2ccc(-c3nnn[n-]3)c(Br)c2)C1 ZINC001590056238 1349135350 /nfs/dbraw/zinc/13/53/50/1349135350.db2.gz CFZVVJRXABMFSS-CYBMUJFWSA-N -1 3 333.193 2.369 20 30 EEEDHM C[C@]1(C#N)CCN(c2ccc(-c3nn[n-]n3)c(Br)c2)C1 ZINC001590056238 1349135354 /nfs/dbraw/zinc/13/53/54/1349135354.db2.gz CFZVVJRXABMFSS-CYBMUJFWSA-N -1 3 333.193 2.369 20 30 EEEDHM CCCn1cc(C(C)=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)nn1 ZINC001590663813 1349385304 /nfs/dbraw/zinc/38/53/04/1349385304.db2.gz SBDULWCXDUXOOG-UHFFFAOYSA-N -1 3 345.798 2.358 20 30 EEEDHM CCCn1cc(C(C)=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)nn1 ZINC001590663813 1349385309 /nfs/dbraw/zinc/38/53/09/1349385309.db2.gz SBDULWCXDUXOOG-UHFFFAOYSA-N -1 3 345.798 2.358 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)ccc1Cn1cc(C#N)c2ccccc2c1=O ZINC001591867095 1349552936 /nfs/dbraw/zinc/55/29/36/1349552936.db2.gz OWSFKVUQIVIUNZ-UHFFFAOYSA-N -1 3 342.362 2.410 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)ccc1Cn1cc(C#N)c2ccccc2c1=O ZINC001591867095 1349552942 /nfs/dbraw/zinc/55/29/42/1349552942.db2.gz OWSFKVUQIVIUNZ-UHFFFAOYSA-N -1 3 342.362 2.410 20 30 EEEDHM Cc1cc(C#N)nc(N2CCO[C@@H](c3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC001591906567 1349555606 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N#Cc1ccc(NC(=O)c2cnccc2-c2nn[n-]n2)c(Cl)c1 ZINC001592696220 1349707395 /nfs/dbraw/zinc/70/73/95/1349707395.db2.gz PUFUNBWBIQBPSM-UHFFFAOYSA-N -1 3 325.719 2.039 20 30 EEEDHM N#Cc1ncn(Cc2cc(Cl)sc2Cl)c1-c1nnn[n-]1 ZINC001592709525 1349709906 /nfs/dbraw/zinc/70/99/06/1349709906.db2.gz IFXBFMMJGYURIJ-UHFFFAOYSA-N -1 3 326.172 2.351 20 30 EEEDHM O=C1C=COC2(CCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)C1 ZINC001593377239 1349795170 /nfs/dbraw/zinc/79/51/70/1349795170.db2.gz BXQUFISNPJCETK-UHFFFAOYSA-N -1 3 345.790 2.362 20 30 EEEDHM O=C1C=COC2(CCN(c3ccc(Cl)cc3-c3nn[n-]n3)CC2)C1 ZINC001593377239 1349795172 /nfs/dbraw/zinc/79/51/72/1349795172.db2.gz BXQUFISNPJCETK-UHFFFAOYSA-N -1 3 345.790 2.362 20 30 EEEDHM N#CC(C(=O)CCc1ccccc1C(=O)[O-])C(=O)NC1CCCC1 ZINC001601046737 1350196796 /nfs/dbraw/zinc/19/67/96/1350196796.db2.gz AZYQAQQRSQEQML-OAHLLOKOSA-N -1 3 328.368 2.085 20 30 EEEDHM N#CCCOCCN[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001601068116 1350201322 /nfs/dbraw/zinc/20/13/22/1350201322.db2.gz HEMXTLAGECAMBL-LBPRGKRZSA-N -1 3 332.278 2.231 20 30 EEEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC001601119657 1350214497 /nfs/dbraw/zinc/21/44/97/1350214497.db2.gz WAPATANIAMTOEW-MJBXVCDLSA-N -1 3 342.317 2.319 20 30 EEEDHM C#CCCCCCCN(c1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC001602711110 1350576072 /nfs/dbraw/zinc/57/60/72/1350576072.db2.gz HABXTTVIDKUBBX-UHFFFAOYSA-N -1 3 347.444 2.216 20 30 EEEDHM C#CCn1ccc(CN(CC)Cc2c(C)cc(-c3nn[n-]n3)cc2C)n1 ZINC001602732998 1350578105 /nfs/dbraw/zinc/57/81/05/1350578105.db2.gz OMXAQBHIZDVBEE-UHFFFAOYSA-N -1 3 349.442 2.335 20 30 EEEDHM C#Cc1ccc(CNc2cnn(-c3ncccc3-c3nnn[n-]3)c2)cc1 ZINC001602741564 1350579032 /nfs/dbraw/zinc/57/90/32/1350579032.db2.gz ODZNRGOCNZTQBE-UHFFFAOYSA-N -1 3 342.366 2.041 20 30 EEEDHM C#Cc1ccc(CNc2cnn(-c3ncccc3-c3nn[n-]n3)c2)cc1 ZINC001602741564 1350579034 /nfs/dbraw/zinc/57/90/34/1350579034.db2.gz ODZNRGOCNZTQBE-UHFFFAOYSA-N -1 3 342.366 2.041 20 30 EEEDHM C=C(C)C[C@@H](C)C(=O)N1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001602752680 1350581830 /nfs/dbraw/zinc/58/18/30/1350581830.db2.gz GQUDNSJZFCAPRK-GFCCVEGCSA-N -1 3 346.460 2.179 20 30 EEEDHM C=C[C@@](C)(CCOC)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001602794653 1350587725 /nfs/dbraw/zinc/58/77/25/1350587725.db2.gz MISLOLHFYXPPHZ-INIZCTEOSA-N -1 3 331.376 2.043 20 30 EEEDHM C=C[C@@](C)(CCOC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001602794653 1350587733 /nfs/dbraw/zinc/58/77/33/1350587733.db2.gz MISLOLHFYXPPHZ-INIZCTEOSA-N -1 3 331.376 2.043 20 30 EEEDHM C=C[C@H](CC)CC(=O)N(C)[C@@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001602800638 1350588496 /nfs/dbraw/zinc/58/84/96/1350588496.db2.gz MTCDAPCDZRBYNR-QWHCGFSZSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@H](CC)CC(=O)N(C)[C@@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001602800638 1350588499 /nfs/dbraw/zinc/58/84/99/1350588499.db2.gz MTCDAPCDZRBYNR-QWHCGFSZSA-N -1 3 343.435 2.123 20 30 EEEDHM C=CCCC(=O)N[C@H](C)C[C@@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001602824625 1350591489 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C[C@@H](CC#N)C(=O)N(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC001603437073 1350705499 /nfs/dbraw/zinc/70/54/99/1350705499.db2.gz ROAJKHAYSLWYQP-ZDUSSCGKSA-N -1 3 347.382 2.345 20 30 EEEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C#N)C(C)(C)C ZINC001603711836 1350748192 /nfs/dbraw/zinc/74/81/92/1350748192.db2.gz DTPUUPYXVGIWEA-MFKMUULPSA-N -1 3 329.360 2.115 20 30 EEEDHM CC1(C)C[C@H](NN=C2CCCc3cc(-c4nnn[n-]4)ccc32)CCO1 ZINC001603765298 1350760676 /nfs/dbraw/zinc/76/06/76/1350760676.db2.gz VNLHIAFLAXDEID-CQSZACIVSA-N -1 3 340.431 2.454 20 30 EEEDHM CC1(C)C[C@H](NN=C2CCCc3cc(-c4nn[n-]n4)ccc32)CCO1 ZINC001603765298 1350760681 /nfs/dbraw/zinc/76/06/81/1350760681.db2.gz VNLHIAFLAXDEID-CQSZACIVSA-N -1 3 340.431 2.454 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nc2cc(C#N)ccc2[nH]1 ZINC001605538068 1351184785 /nfs/dbraw/zinc/18/47/85/1351184785.db2.gz VBTVIFLCNAJSBO-UHFFFAOYSA-N -1 3 344.338 2.175 20 30 EEEDHM CCOc1ccc(NC(=O)CCN2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001605692571 1351215963 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EEEDHM Cc1nc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)ccc1C#N ZINC001609448250 1351981417 /nfs/dbraw/zinc/98/14/17/1351981417.db2.gz XUZCTKUPGFECTI-UHFFFAOYSA-N -1 3 339.746 2.348 20 30 EEEDHM Cc1nc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)ccc1C#N ZINC001609448250 1351981419 /nfs/dbraw/zinc/98/14/19/1351981419.db2.gz XUZCTKUPGFECTI-UHFFFAOYSA-N -1 3 339.746 2.348 20 30 EEEDHM Cn1c(CC#N)nnc1SCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001609476309 1351991799 /nfs/dbraw/zinc/99/17/99/1351991799.db2.gz VNPZOMCTPROQEI-UHFFFAOYSA-N -1 3 346.807 2.007 20 30 EEEDHM Cn1c(CC#N)nnc1SCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001609476309 1351991801 /nfs/dbraw/zinc/99/18/01/1351991801.db2.gz VNPZOMCTPROQEI-UHFFFAOYSA-N -1 3 346.807 2.007 20 30 EEEDHM FC(F)(F)c1cc(-c2nnn[n-]2)ccc1C=NOC[C@@H]1CCOC1 ZINC001609484384 1351994236 /nfs/dbraw/zinc/99/42/36/1351994236.db2.gz JWXDWLWCZMXZTD-SECBINFHSA-N -1 3 341.293 2.273 20 30 EEEDHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1C=NOC[C@@H]1CCOC1 ZINC001609484384 1351994238 /nfs/dbraw/zinc/99/42/38/1351994238.db2.gz 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ZINC001580461921 1344523852 /nfs/dbraw/zinc/52/38/52/1344523852.db2.gz PHSGFOBFPLBISS-NSHDSACASA-N -1 3 335.371 2.208 20 30 EEEDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC001580461921 1344523854 /nfs/dbraw/zinc/52/38/54/1344523854.db2.gz PHSGFOBFPLBISS-NSHDSACASA-N -1 3 335.371 2.208 20 30 EEEDHM N#CCc1cccc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC001581859772 1344680414 /nfs/dbraw/zinc/68/04/14/1344680414.db2.gz UTWBXXHZHXBJGR-UHFFFAOYSA-N -1 3 339.746 2.233 20 30 EEEDHM N#CCc1cccc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC001581859772 1344680418 /nfs/dbraw/zinc/68/04/18/1344680418.db2.gz UTWBXXHZHXBJGR-UHFFFAOYSA-N -1 3 339.746 2.233 20 30 EEEDHM N#CCc1cccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC001581859622 1344680954 /nfs/dbraw/zinc/68/09/54/1344680954.db2.gz MREFZLKNMHCDTI-UHFFFAOYSA-N -1 3 340.293 2.463 20 30 EEEDHM N#CCc1cccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC001581859622 1344680958 /nfs/dbraw/zinc/68/09/58/1344680958.db2.gz MREFZLKNMHCDTI-UHFFFAOYSA-N -1 3 340.293 2.463 20 30 EEEDHM N#Cc1cc(C(F)(F)F)cc(NCc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001581864852 1344681340 /nfs/dbraw/zinc/68/13/40/1344681340.db2.gz RIXFKTIKTANYLE-UHFFFAOYSA-N -1 3 346.276 2.159 20 30 EEEDHM N#Cc1cc(C(F)(F)F)cc(NCc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001581864852 1344681344 /nfs/dbraw/zinc/68/13/44/1344681344.db2.gz RIXFKTIKTANYLE-UHFFFAOYSA-N -1 3 346.276 2.159 20 30 EEEDHM C#C[C@@H](NC(=O)Nc1cc(OC)c(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC001588329567 1348888085 /nfs/dbraw/zinc/88/80/85/1348888085.db2.gz JJCIMRQUCFCZCL-CYBMUJFWSA-N -1 3 346.366 2.184 20 30 EEEDHM C#C[C@@H](NC(=O)Nc1cc(OC)c(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC001588329567 1348888092 /nfs/dbraw/zinc/88/80/92/1348888092.db2.gz JJCIMRQUCFCZCL-CYBMUJFWSA-N -1 3 346.366 2.184 20 30 EEEDHM C#CCCCC(=O)NCC[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588340387 1348892749 /nfs/dbraw/zinc/89/27/49/1348892749.db2.gz NZWGMGWHWFKRJZ-GFCCVEGCSA-N -1 3 344.394 2.116 20 30 EEEDHM C#CCCCC(=O)NCC[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588340387 1348892753 /nfs/dbraw/zinc/89/27/53/1348892753.db2.gz NZWGMGWHWFKRJZ-GFCCVEGCSA-N -1 3 344.394 2.116 20 30 EEEDHM C#CCN(Cc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001588351655 1348894154 /nfs/dbraw/zinc/89/41/54/1348894154.db2.gz DEPKLDXZXNVDQC-UHFFFAOYSA-N -1 3 346.394 2.212 20 30 EEEDHM C#CCN(Cc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001588351655 1348894161 /nfs/dbraw/zinc/89/41/61/1348894161.db2.gz DEPKLDXZXNVDQC-UHFFFAOYSA-N -1 3 346.394 2.212 20 30 EEEDHM C#Cc1ccc(C(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)cn1 ZINC001588373213 1348896287 /nfs/dbraw/zinc/89/62/87/1348896287.db2.gz DXYJVMIQDPYBAX-UHFFFAOYSA-N -1 3 330.351 2.373 20 30 EEEDHM C#Cc1ccc(C(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)cn1 ZINC001588373213 1348896291 /nfs/dbraw/zinc/89/62/91/1348896291.db2.gz DXYJVMIQDPYBAX-UHFFFAOYSA-N -1 3 330.351 2.373 20 30 EEEDHM C#Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Cl)nc1 ZINC001588373446 1348896773 /nfs/dbraw/zinc/89/67/73/1348896773.db2.gz KQOTVNQUJNOULZ-UHFFFAOYSA-N -1 3 339.742 2.253 20 30 EEEDHM C#Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Cl)nc1 ZINC001588373446 1348896778 /nfs/dbraw/zinc/89/67/78/1348896778.db2.gz KQOTVNQUJNOULZ-UHFFFAOYSA-N -1 3 339.742 2.253 20 30 EEEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001588400791 1348900654 /nfs/dbraw/zinc/90/06/54/1348900654.db2.gz GFNBOENHASNNAY-HZMBPMFUSA-N -1 3 330.348 2.168 20 30 EEEDHM C=C(C)[C@@H](CC(=O)Nc1cc(OC)c(-c2nnn[n-]2)cc1F)OCC ZINC001588401783 1348901048 /nfs/dbraw/zinc/90/10/48/1348901048.db2.gz YEHFPQGWWTZIOB-CYBMUJFWSA-N -1 3 349.366 2.324 20 30 EEEDHM C=C(C)[C@@H](CC(=O)Nc1cc(OC)c(-c2nn[n-]n2)cc1F)OCC ZINC001588401783 1348901052 /nfs/dbraw/zinc/90/10/52/1348901052.db2.gz YEHFPQGWWTZIOB-CYBMUJFWSA-N -1 3 349.366 2.324 20 30 EEEDHM C=CC(C)(C)CC(=O)N(C)CCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588481544 1348907964 /nfs/dbraw/zinc/90/79/64/1348907964.db2.gz LGZHMBURZMDTDO-UHFFFAOYSA-N -1 3 343.435 2.043 20 30 EEEDHM C=CC(C)(C)CC(=O)N(C)CCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588481544 1348907968 /nfs/dbraw/zinc/90/79/68/1348907968.db2.gz LGZHMBURZMDTDO-UHFFFAOYSA-N -1 3 343.435 2.043 20 30 EEEDHM C=C[C@](C)(CC)C(=O)N(C)CCNc1snc(C)c1-c1nnn[n-]1 ZINC001588492772 1348909534 /nfs/dbraw/zinc/90/95/34/1348909534.db2.gz WETPKASOQIVRTG-OAHLLOKOSA-N -1 3 349.464 2.104 20 30 EEEDHM C=CC(C)(C)CCN[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC001588488295 1348909571 /nfs/dbraw/zinc/90/95/71/1348909571.db2.gz HKWUCYSLNBUVRF-CQSZACIVSA-N -1 3 329.404 2.273 20 30 EEEDHM C=CC(C)(C)CCN[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC001588488295 1348909573 /nfs/dbraw/zinc/90/95/73/1348909573.db2.gz HKWUCYSLNBUVRF-CQSZACIVSA-N -1 3 329.404 2.273 20 30 EEEDHM C=C[C@](C)(CC)C(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588493492 1348910575 /nfs/dbraw/zinc/91/05/75/1348910575.db2.gz GOZDBNFVVQNMNE-YVEFUNNKSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@](C)(CC)C(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588493492 1348910577 /nfs/dbraw/zinc/91/05/77/1348910577.db2.gz GOZDBNFVVQNMNE-YVEFUNNKSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@H](C)NC(=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588516299 1348911584 /nfs/dbraw/zinc/91/15/84/1348911584.db2.gz VAQMERZTJBGPKS-LBPRGKRZSA-N -1 3 326.404 2.330 20 30 EEEDHM C=C[C@H](C)NC(=O)N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588516299 1348911588 /nfs/dbraw/zinc/91/15/88/1348911588.db2.gz VAQMERZTJBGPKS-LBPRGKRZSA-N -1 3 326.404 2.330 20 30 EEEDHM C=CC[C@H](C)OC(=O)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001588539559 1348914333 /nfs/dbraw/zinc/91/43/33/1348914333.db2.gz PWVXDNWQFHNPQH-AAEUAGOBSA-N -1 3 345.378 2.340 20 30 EEEDHM C=CC[C@@H](CC)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl ZINC001588542133 1348914589 /nfs/dbraw/zinc/91/45/89/1348914589.db2.gz WUTYBHWVNUIYJS-SECBINFHSA-N -1 3 341.824 2.153 20 30 EEEDHM C=CC[C@@H](CC)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl ZINC001588542133 1348914592 /nfs/dbraw/zinc/91/45/92/1348914592.db2.gz WUTYBHWVNUIYJS-SECBINFHSA-N -1 3 341.824 2.153 20 30 EEEDHM C=CCC(F)(F)C(=O)N(c1cc(-c2nnn[n-]2)cc(C)n1)C1CC1 ZINC001588545890 1348914729 /nfs/dbraw/zinc/91/47/29/1348914729.db2.gz QKJWYEMCLZOIAH-UHFFFAOYSA-N -1 3 334.330 2.277 20 30 EEEDHM C=CCC(F)(F)C(=O)N(c1cc(-c2nn[n-]n2)cc(C)n1)C1CC1 ZINC001588545890 1348914733 /nfs/dbraw/zinc/91/47/33/1348914733.db2.gz QKJWYEMCLZOIAH-UHFFFAOYSA-N -1 3 334.330 2.277 20 30 EEEDHM CC#CC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001588738688 1348930942 /nfs/dbraw/zinc/93/09/42/1348930942.db2.gz QJNJDKIYJGNDOF-SNVBAGLBSA-N -1 3 325.294 2.072 20 30 EEEDHM CC(=NNC1C[C@H](C)O[C@@H](C)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588776607 1348934953 /nfs/dbraw/zinc/93/49/53/1348934953.db2.gz WJCRCKDTAJIZFU-UWVGGRQHSA-N -1 3 332.383 2.275 20 30 EEEDHM CC(=NNC1C[C@H](C)O[C@@H](C)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588776607 1348934958 /nfs/dbraw/zinc/93/49/58/1348934958.db2.gz WJCRCKDTAJIZFU-UWVGGRQHSA-N -1 3 332.383 2.275 20 30 EEEDHM CC(C)(NC(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1cccc(C#N)c1 ZINC001589317428 1348982879 /nfs/dbraw/zinc/98/28/79/1348982879.db2.gz OQOYEMCMWUGGPR-UHFFFAOYSA-N -1 3 348.370 2.190 20 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/nfs/dbraw/zinc/43/15/97/1349431597.db2.gz JKJKEHXIJOTTRB-UHFFFAOYSA-N -1 3 333.399 2.441 20 30 EEEDHM CN(C)c1ccc(CN(C)c2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001591031380 1349431605 /nfs/dbraw/zinc/43/16/05/1349431605.db2.gz JKJKEHXIJOTTRB-UHFFFAOYSA-N -1 3 333.399 2.441 20 30 EEEDHM CNc1ccc(C#N)cc1NC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001591225268 1349450689 /nfs/dbraw/zinc/45/06/89/1349450689.db2.gz NZNCFVHRKLEJSH-UHFFFAOYSA-N -1 3 333.355 2.341 20 30 EEEDHM CNc1ccc(C#N)cc1NC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001591225268 1349450693 /nfs/dbraw/zinc/45/06/93/1349450693.db2.gz NZNCFVHRKLEJSH-UHFFFAOYSA-N -1 3 333.355 2.341 20 30 EEEDHM COc1cc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)ccc1O ZINC001591522648 1349496878 /nfs/dbraw/zinc/49/68/78/1349496878.db2.gz JEGNZTKHDUQXCC-AWNIVKPZSA-N -1 3 334.335 2.403 20 30 EEEDHM COc1cc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)ccc1O ZINC001591522648 1349496882 /nfs/dbraw/zinc/49/68/82/1349496882.db2.gz JEGNZTKHDUQXCC-AWNIVKPZSA-N -1 3 334.335 2.403 20 30 EEEDHM Cc1nn(C)c(C)c1C[C@H](C)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001592427946 1349629047 /nfs/dbraw/zinc/62/90/47/1349629047.db2.gz XIXUIHLGVIKTSW-JTQLQIEISA-N -1 3 336.403 2.132 20 30 EEEDHM Cc1nn(C)c(C)c1C[C@H](C)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001592427946 1349629051 /nfs/dbraw/zinc/62/90/51/1349629051.db2.gz XIXUIHLGVIKTSW-JTQLQIEISA-N -1 3 336.403 2.132 20 30 EEEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1cccc(F)c1 ZINC001592686717 1349705006 /nfs/dbraw/zinc/70/50/06/1349705006.db2.gz HAXDSFMRCBOCPG-UHFFFAOYSA-N -1 3 327.348 2.147 20 30 EEEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1cccc(F)c1 ZINC001592686717 1349705011 /nfs/dbraw/zinc/70/50/11/1349705011.db2.gz HAXDSFMRCBOCPG-UHFFFAOYSA-N -1 3 327.348 2.147 20 30 EEEDHM N#Cc1cc(NC(=O)C2Cc3ccccc3C2)ccc1-c1nnn[n-]1 ZINC001592689246 1349705123 /nfs/dbraw/zinc/70/51/23/1349705123.db2.gz ODSCMQNAQOCVBV-UHFFFAOYSA-N -1 3 330.351 2.092 20 30 EEEDHM N#Cc1cc(NC(=O)C2Cc3ccccc3C2)ccc1-c1nn[n-]n1 ZINC001592689246 1349705125 /nfs/dbraw/zinc/70/51/25/1349705125.db2.gz ODSCMQNAQOCVBV-UHFFFAOYSA-N -1 3 330.351 2.092 20 30 EEEDHM N#Cc1ccc(Oc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)c(F)c1 ZINC001592696423 1349708067 /nfs/dbraw/zinc/70/80/67/1349708067.db2.gz GMMCVGIQVWLVQH-UHFFFAOYSA-N -1 3 341.262 2.160 20 30 EEEDHM N#Cc1ccc(Oc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)c(F)c1 ZINC001592696423 1349708071 /nfs/dbraw/zinc/70/80/71/1349708071.db2.gz GMMCVGIQVWLVQH-UHFFFAOYSA-N -1 3 341.262 2.160 20 30 EEEDHM C#CC[C@H]1CCCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001602699128 1350575207 /nfs/dbraw/zinc/57/52/07/1350575207.db2.gz DGXVMCZPSBYYJB-NSHDSACASA-N -1 3 328.351 2.273 20 30 EEEDHM C#CC[C@H]1CCCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001602699128 1350575209 /nfs/dbraw/zinc/57/52/09/1350575209.db2.gz DGXVMCZPSBYYJB-NSHDSACASA-N -1 3 328.351 2.273 20 30 EEEDHM C=C(C)C[C@@H](NC(=O)[C@H](NC(C)C)c1ccc(OC)cc1)C(=O)[O-] ZINC001602749318 1350580716 /nfs/dbraw/zinc/58/07/16/1350580716.db2.gz DSRRZRVQMZFDSL-HZPDHXFCSA-N -1 3 334.416 2.270 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001602753555 1350581787 /nfs/dbraw/zinc/58/17/87/1350581787.db2.gz QSRUYDZCPGHGKM-IINYFYTJSA-N -1 3 330.348 2.168 20 30 EEEDHM C=C(C)[C@H]1OCC[C@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001602753555 1350581788 /nfs/dbraw/zinc/58/17/88/1350581788.db2.gz QSRUYDZCPGHGKM-IINYFYTJSA-N -1 3 330.348 2.168 20 30 EEEDHM C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001602788893 1350587115 /nfs/dbraw/zinc/58/71/15/1350587115.db2.gz PSMWZNZAJDRBEO-DZGCQCFKSA-N -1 3 336.819 2.391 20 30 EEEDHM C=CC[C@H](C)OC(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001602811315 1350589801 /nfs/dbraw/zinc/58/98/01/1350589801.db2.gz IOTBVQZGQZDWCI-ZETCQYMHSA-N -1 3 327.266 2.402 20 30 EEEDHM C=CCN(CC(=O)NCC(C)(C)C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602849848 1350595831 /nfs/dbraw/zinc/59/58/31/1350595831.db2.gz HGXAROUCYMOCDY-UHFFFAOYSA-N -1 3 342.447 2.017 20 30 EEEDHM C=CCOCCCCOC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001602870120 1350598701 /nfs/dbraw/zinc/59/87/01/1350598701.db2.gz IDCXAEPQCMHFLG-KTKRTIGZSA-N -1 3 328.372 2.406 20 30 EEEDHM C=CCOCCCCOC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001602870120 1350598704 /nfs/dbraw/zinc/59/87/04/1350598704.db2.gz IDCXAEPQCMHFLG-KTKRTIGZSA-N -1 3 328.372 2.406 20 30 EEEDHM CC#CC(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC001602889554 1350601154 /nfs/dbraw/zinc/60/11/54/1350601154.db2.gz KCFGCVBSTIXNTI-UHFFFAOYSA-N -1 3 333.351 2.408 20 30 EEEDHM CC#CC(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC001602889554 1350601157 /nfs/dbraw/zinc/60/11/57/1350601157.db2.gz KCFGCVBSTIXNTI-UHFFFAOYSA-N -1 3 333.351 2.408 20 30 EEEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccccc1C#N ZINC001603713364 1350748252 /nfs/dbraw/zinc/74/82/52/1350748252.db2.gz YBHZNNSFJIOBRT-LBPRGKRZSA-N -1 3 349.350 2.249 20 30 EEEDHM CCCC[C@H](ON=C(C)C)C(=O)OCc1cc(-c2nnn[n-]2)ccn1 ZINC001604166538 1350880737 /nfs/dbraw/zinc/88/07/37/1350880737.db2.gz GENMKOZQDIORMC-AWEZNQCLSA-N -1 3 346.391 2.276 20 30 EEEDHM CCCC[C@H](ON=C(C)C)C(=O)OCc1cc(-c2nn[n-]n2)ccn1 ZINC001604166538 1350880743 /nfs/dbraw/zinc/88/07/43/1350880743.db2.gz GENMKOZQDIORMC-AWEZNQCLSA-N -1 3 346.391 2.276 20 30 EEEDHM CCN(C[C@@H](C)C#N)C(=O)CSc1cccc(F)c1-c1nnn[n-]1 ZINC001604274772 1350907383 /nfs/dbraw/zinc/90/73/83/1350907383.db2.gz UIKZKCGTDKMGMA-JTQLQIEISA-N -1 3 348.407 2.106 20 30 EEEDHM CN(C)c1cc(C(=O)N(C)c2ccc(C#N)cc2)cc(-c2nnn[n-]2)c1 ZINC001604694872 1350986314 /nfs/dbraw/zinc/98/63/14/1350986314.db2.gz KNHDVDBZVPJRCX-UHFFFAOYSA-N -1 3 347.382 2.081 20 30 EEEDHM CN(C)c1cc(C(=O)N(C)c2ccc(C#N)cc2)cc(-c2nn[n-]n2)c1 ZINC001604694872 1350986316 /nfs/dbraw/zinc/98/63/16/1350986316.db2.gz KNHDVDBZVPJRCX-UHFFFAOYSA-N -1 3 347.382 2.081 20 30 EEEDHM CO[C@H](CCNc1c(C#N)cccc1-c1nnn[n-]1)C(F)(F)F ZINC001605006207 1351050572 /nfs/dbraw/zinc/05/05/72/1351050572.db2.gz BVPDDYNRKOLJOI-SNVBAGLBSA-N -1 3 326.282 2.118 20 30 EEEDHM CO[C@H](CCNc1c(C#N)cccc1-c1nn[n-]n1)C(F)(F)F ZINC001605006207 1351050576 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HRZBWGLSKFZPGH-UHFFFAOYSA-N -1 3 349.637 2.417 20 30 EEEDHM N#Cc1ccc(CN2CCC[C@H]2CNC(=O)c2ncccc2[O-])cc1 ZINC001027844309 773434491 /nfs/dbraw/zinc/43/44/91/773434491.db2.gz QBGRWKZKOREWMS-INIZCTEOSA-N -1 3 336.395 2.053 20 30 EEEDHM C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ncccc1[O-] ZINC001089799503 775817747 /nfs/dbraw/zinc/81/77/47/775817747.db2.gz IGVLCFCJYKPTMQ-YJNKXOJESA-N -1 3 347.846 2.322 20 30 EEEDHM C=C(Cl)CN1CCC[C@H]1CNC(=O)c1nnc2ccccc2c1[O-] ZINC001028177509 778709333 /nfs/dbraw/zinc/70/93/33/778709333.db2.gz DSKKYTMKPMEEMO-LBPRGKRZSA-N -1 3 346.818 2.282 20 30 EEEDHM N#Cc1cncc(NC[C@H]2CCCCN2C(=O)c2ccccc2[O-])n1 ZINC001060202286 785712349 /nfs/dbraw/zinc/71/23/49/785712349.db2.gz AXULNGHCALIOII-CQSZACIVSA-N -1 3 337.383 2.161 20 30 EEEDHM C#CCCCCCC(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107449088 787264443 /nfs/dbraw/zinc/26/44/43/787264443.db2.gz PWPAVVCFFUQQJO-FPLPWBNLSA-N -1 3 346.387 2.363 20 30 EEEDHM C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001062258124 787733573 /nfs/dbraw/zinc/73/35/73/787733573.db2.gz KVCADGXKWSGSPX-HUUCEWRRSA-N -1 3 346.427 2.094 20 30 EEEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccn(-c2ccccc2)n1 ZINC000823861230 787964974 /nfs/dbraw/zinc/96/49/74/787964974.db2.gz AHJHFLGLKYMERE-UHFFFAOYSA-N -1 3 344.382 2.176 20 30 EEEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccn(-c2ccccc2)n1 ZINC000823861230 787964978 /nfs/dbraw/zinc/96/49/78/787964978.db2.gz AHJHFLGLKYMERE-UHFFFAOYSA-N -1 3 344.382 2.176 20 30 EEEDHM C#CCN1CCC(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)CC1 ZINC000923117121 788872456 /nfs/dbraw/zinc/87/24/56/788872456.db2.gz NMWCIZIDWGZIMC-UHFFFAOYSA-N -1 3 337.379 2.217 20 30 EEEDHM C=CCNC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000055010562 789045385 /nfs/dbraw/zinc/04/53/85/789045385.db2.gz BTRZULNXGLUPTF-ATVHPVEESA-N -1 3 347.374 2.325 20 30 EEEDHM Cc1ccc(C#N)c(N2CC[C@H](N(C)C(=O)c3ccccc3[O-])C2)n1 ZINC001062883078 789979691 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EEEDHM N#Cc1ccc([N+](=O)[O-])c(NCCNC(=O)c2ccccc2[O-])c1 ZINC001093482962 795268999 /nfs/dbraw/zinc/26/89/99/795268999.db2.gz WMHGLTGKAFHEGW-UHFFFAOYSA-N -1 3 326.312 2.014 20 30 EEEDHM N#Cc1cc(NC(=O)Cc2nnc(Cc3ccccc3)[nH]2)ccc1[O-] ZINC001178418187 799470337 /nfs/dbraw/zinc/47/03/37/799470337.db2.gz PZIUQFVYUWMYPU-UHFFFAOYSA-N -1 3 333.351 2.154 20 30 EEEDHM COC(=O)n1ncc(C#N)c1[N-]c1nc(Cl)nc2c1CO[C@H]2C ZINC001169962782 804254339 /nfs/dbraw/zinc/25/43/39/804254339.db2.gz YOYALNXCIFGSRI-LURJTMIESA-N -1 3 334.723 2.147 20 30 EEEDHM C#CCCCC(=O)N(C)[C@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573285313 946776427 /nfs/dbraw/zinc/77/64/27/946776427.db2.gz WAWYYJJPXFCTMF-GFCCVEGCSA-N -1 3 344.394 2.068 20 30 EEEDHM C#CCCCC(=O)N(C)[C@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001573285313 946776435 /nfs/dbraw/zinc/77/64/35/946776435.db2.gz WAWYYJJPXFCTMF-GFCCVEGCSA-N -1 3 344.394 2.068 20 30 EEEDHM C=C(C)C(C)(C)C(=O)N[C@H](C)CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001573293378 946955785 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EEEDHM Cc1cc(=O)[n-]c(N2CCC[C@H](Nc3ncc(C#N)cc3Cl)C2)n1 ZINC001548521128 1124319015 /nfs/dbraw/zinc/31/90/15/1124319015.db2.gz PXCADUURRUGJDH-LBPRGKRZSA-N -1 3 344.806 2.492 20 30 EEEDHM CO[C@@H]1CCCCN(CC(=O)N([O-])Cc2ccccc2Cl)C1=O ZINC001552305449 1124903393 /nfs/dbraw/zinc/90/33/93/1124903393.db2.gz HKGBJKHZYBWBJJ-CQSZACIVSA-N -1 3 340.807 2.085 20 30 EEEDHM Cn1cc([C@H]2OCCC[C@H]2C=NNc2cnnc([O-])c2Cl)cn1 ZINC001552451335 1124975333 /nfs/dbraw/zinc/97/53/33/1124975333.db2.gz CMIUYOQXNKKODG-ZANVPECISA-N -1 3 336.783 2.135 20 30 EEEDHM Cn1cc([C@@H]2OCCC[C@@H]2C=NNc2cnnc([O-])c2Cl)cn1 ZINC001552451331 1124975614 /nfs/dbraw/zinc/97/56/14/1124975614.db2.gz CMIUYOQXNKKODG-NOZJJQNGSA-N -1 3 336.783 2.135 20 30 EEEDHM Cc1cccc(O)c1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000179564347 233168093 /nfs/dbraw/zinc/16/80/93/233168093.db2.gz WRSBYHWBZJQIOZ-UHFFFAOYSA-N -1 3 325.368 2.449 20 30 EEEDHM Cn1nc2ccccc2c1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000358002175 238216544 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N#CCCCOc1cccc(CN2CCC([C@@H](O)C(=O)[O-])CC2)c1 ZINC000833760439 604762149 /nfs/dbraw/zinc/76/21/49/604762149.db2.gz SJLXJUPXPSWXEZ-QGZVFWFLSA-N -1 3 332.400 2.027 20 30 EEEDHM N#CCCCOc1cccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000822805758 606259659 /nfs/dbraw/zinc/25/96/59/606259659.db2.gz CDKVSUSRRVKKED-UHFFFAOYSA-N -1 3 337.343 2.130 20 30 EEEDHM N#CCCCOc1cccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000822805758 606259661 /nfs/dbraw/zinc/25/96/61/606259661.db2.gz CDKVSUSRRVKKED-UHFFFAOYSA-N -1 3 337.343 2.130 20 30 EEEDHM C=CCN(Cc1ccccc1F)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000819745377 606260138 /nfs/dbraw/zinc/26/01/38/606260138.db2.gz AFKFUDXAEBCSBT-UHFFFAOYSA-N -1 3 326.335 2.162 20 30 EEEDHM C=CCN(Cc1ccccc1F)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000819745377 606260140 /nfs/dbraw/zinc/26/01/40/606260140.db2.gz AFKFUDXAEBCSBT-UHFFFAOYSA-N -1 3 326.335 2.162 20 30 EEEDHM CC(C)[C@@](C)(C#N)NC(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000820015138 606326572 /nfs/dbraw/zinc/32/65/72/606326572.db2.gz 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3 341.371 2.260 20 30 EEEDHM CCN(C(=O)c1cccc(C#N)n1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609220323 1351898370 /nfs/dbraw/zinc/89/83/70/1351898370.db2.gz PWCYVFTYNWWEJK-GFCCVEGCSA-N -1 3 347.382 2.357 20 30 EEEDHM CCN(C(=O)c1cccc(C#N)n1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609220323 1351898375 /nfs/dbraw/zinc/89/83/75/1351898375.db2.gz PWCYVFTYNWWEJK-GFCCVEGCSA-N -1 3 347.382 2.357 20 30 EEEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC#Cc1ccccc1 ZINC001609277848 1351919308 /nfs/dbraw/zinc/91/93/08/1351919308.db2.gz FDTCXYHBMZDDMJ-UHFFFAOYSA-N -1 3 346.394 2.060 20 30 EEEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC#Cc1ccccc1 ZINC001609277848 1351919311 /nfs/dbraw/zinc/91/93/11/1351919311.db2.gz FDTCXYHBMZDDMJ-UHFFFAOYSA-N -1 3 346.394 2.060 20 30 EEEDHM Cc1c2cc(-c3nnn[n-]3)ccc2sc1C(=O)N1CC(C)(C#N)C1 ZINC001609379854 1351952136 /nfs/dbraw/zinc/95/21/36/1351952136.db2.gz GELVLKLPWGDEMK-UHFFFAOYSA-N -1 3 338.396 2.376 20 30 EEEDHM Cc1c2cc(-c3nn[n-]n3)ccc2sc1C(=O)N1CC(C)(C#N)C1 ZINC001609379854 1351952138 /nfs/dbraw/zinc/95/21/38/1351952138.db2.gz GELVLKLPWGDEMK-UHFFFAOYSA-N -1 3 338.396 2.376 20 30 EEEDHM O=C(Nc1cc(Cl)ccc1OC(F)F)N[C@H]1CCCN([O-])C1=O ZINC001330719592 1334890799 /nfs/dbraw/zinc/89/07/99/1334890799.db2.gz WPCQFMAPVBKMRU-QMMMGPOBSA-N -1 3 349.721 2.443 20 30 EEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC([C@H]2CCCO2)CC1 ZINC001338886672 1336926350 /nfs/dbraw/zinc/92/63/50/1336926350.db2.gz YRXDBYRAWQWHDO-CQSZACIVSA-N -1 3 345.403 2.220 20 30 EEEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCS[C@H](C(C)C)C1 ZINC001340341819 1337163797 /nfs/dbraw/zinc/16/37/97/1337163797.db2.gz CEUSRXYBVWICJM-ZDUSSCGKSA-N -1 3 346.460 2.205 20 30 EEEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001343580243 1337338740 /nfs/dbraw/zinc/33/87/40/1337338740.db2.gz BRUODXIAOUROIN-GFCCVEGCSA-N -1 3 344.419 2.021 20 30 EEEDHM COc1cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)ccc1-c1nnn[n-]1 ZINC001579898084 1344429557 /nfs/dbraw/zinc/42/95/57/1344429557.db2.gz HOEPOYZITZWQPN-LLVKDONJSA-N -1 3 348.366 2.238 20 30 EEEDHM COc1cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)ccc1-c1nn[n-]n1 ZINC001579898084 1344429560 /nfs/dbraw/zinc/42/95/60/1344429560.db2.gz HOEPOYZITZWQPN-LLVKDONJSA-N -1 3 348.366 2.238 20 30 EEEDHM Cc1cc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ncc1C#N ZINC001580981571 1344578867 /nfs/dbraw/zinc/57/88/67/1344578867.db2.gz JPRNBGRNEIBJTD-LLVKDONJSA-N -1 3 348.370 2.325 20 30 EEEDHM Cc1cc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ncc1C#N ZINC001580981571 1344578869 /nfs/dbraw/zinc/57/88/69/1344578869.db2.gz JPRNBGRNEIBJTD-LLVKDONJSA-N -1 3 348.370 2.325 20 30 EEEDHM N#CCc1ccsc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001581859235 1344680469 /nfs/dbraw/zinc/68/04/69/1344680469.db2.gz BZLOQHSTTVUXRE-UHFFFAOYSA-N -1 3 342.359 2.063 20 30 EEEDHM N#CCc1ccsc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001581859235 1344680473 /nfs/dbraw/zinc/68/04/73/1344680473.db2.gz BZLOQHSTTVUXRE-UHFFFAOYSA-N -1 3 342.359 2.063 20 30 EEEDHM C#C[C@H](C)N(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC001588325640 1348886877 /nfs/dbraw/zinc/88/68/77/1348886877.db2.gz RCVKACXCWNXJGB-LBPRGKRZSA-N -1 3 348.410 2.368 20 30 EEEDHM C#C[C@@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC001588332068 1348889285 /nfs/dbraw/zinc/88/92/85/1348889285.db2.gz FTJFWXIVJYBPAW-GFCCVEGCSA-N -1 3 341.419 2.300 20 30 EEEDHM C#C[C@@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC001588332068 1348889288 /nfs/dbraw/zinc/88/92/88/1348889288.db2.gz FTJFWXIVJYBPAW-GFCCVEGCSA-N -1 3 341.419 2.300 20 30 EEEDHM C#CCC1(NC(=O)c2cc(-c3cccc(-c4nnn[n-]4)c3)no2)CCC1 ZINC001588335110 1348890558 /nfs/dbraw/zinc/89/05/58/1348890558.db2.gz YGVQIEXQSMBYTH-UHFFFAOYSA-N -1 3 348.366 2.198 20 30 EEEDHM C#CCC1(NC(=O)c2cc(-c3cccc(-c4nn[n-]n4)c3)no2)CCC1 ZINC001588335110 1348890563 /nfs/dbraw/zinc/89/05/63/1348890563.db2.gz YGVQIEXQSMBYTH-UHFFFAOYSA-N -1 3 348.366 2.198 20 30 EEEDHM C#Cc1ccc(C(=O)N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cn1 ZINC001588368889 1348896586 /nfs/dbraw/zinc/89/65/86/1348896586.db2.gz ZHNWVXOJGRZOBP-KRWDZBQOSA-N -1 3 344.378 2.050 20 30 EEEDHM C#Cc1ccc(C(=O)N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cn1 ZINC001588368889 1348896591 /nfs/dbraw/zinc/89/65/91/1348896591.db2.gz ZHNWVXOJGRZOBP-KRWDZBQOSA-N -1 3 344.378 2.050 20 30 EEEDHM C=C(C)C[C@@H](C)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001588404266 1348900962 /nfs/dbraw/zinc/90/09/62/1348900962.db2.gz GQUAJZDDSARDAQ-SNVBAGLBSA-N -1 3 331.332 2.420 20 30 EEEDHM C=C(C)C[C@@H](C)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001588404266 1348900964 /nfs/dbraw/zinc/90/09/64/1348900964.db2.gz GQUAJZDDSARDAQ-SNVBAGLBSA-N -1 3 331.332 2.420 20 30 EEEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001588456786 1348906041 /nfs/dbraw/zinc/90/60/41/1348906041.db2.gz VQGFJCIZHBNWLP-AOOOYVTPSA-N -1 3 327.348 2.045 20 30 EEEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001588456786 1348906046 /nfs/dbraw/zinc/90/60/46/1348906046.db2.gz VQGFJCIZHBNWLP-AOOOYVTPSA-N -1 3 327.348 2.045 20 30 EEEDHM C=CC(C)(C)C(=O)NC[C@H](Nc1ncccc1-c1nnn[n-]1)C(C)C ZINC001588474034 1348907064 /nfs/dbraw/zinc/90/70/64/1348907064.db2.gz BISRNLNZNIPKBM-ZDUSSCGKSA-N -1 3 343.435 2.027 20 30 EEEDHM C=CC(C)(C)C(=O)NC[C@H](Nc1ncccc1-c1nn[n-]n1)C(C)C ZINC001588474034 1348907066 /nfs/dbraw/zinc/90/70/66/1348907066.db2.gz BISRNLNZNIPKBM-ZDUSSCGKSA-N -1 3 343.435 2.027 20 30 EEEDHM C=CC(C)(C)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588487991 1348908767 /nfs/dbraw/zinc/90/87/67/1348908767.db2.gz DHXUKKHURSLOLR-UHFFFAOYSA-N -1 3 335.433 2.056 20 30 EEEDHM C=CC(C)(C)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588487991 1348908769 /nfs/dbraw/zinc/90/87/69/1348908769.db2.gz DHXUKKHURSLOLR-UHFFFAOYSA-N -1 3 335.433 2.056 20 30 EEEDHM C=CC(C)(C)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588488704 1348909499 /nfs/dbraw/zinc/90/94/99/1348909499.db2.gz NFJLFVXUXLPBMF-UHFFFAOYSA-N -1 3 341.824 2.011 20 30 EEEDHM C=CC(C)(C)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588488704 1348909503 /nfs/dbraw/zinc/90/95/03/1348909503.db2.gz NFJLFVXUXLPBMF-UHFFFAOYSA-N -1 3 341.824 2.011 20 30 EEEDHM C=CCCC(C)(C)CNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588577095 1348919771 /nfs/dbraw/zinc/91/97/71/1348919771.db2.gz CIUKFUQMHMMLJL-UHFFFAOYSA-N -1 3 349.460 2.279 20 30 EEEDHM C=CCCC(C)(C)CNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588577095 1348919774 /nfs/dbraw/zinc/91/97/74/1348919774.db2.gz CIUKFUQMHMMLJL-UHFFFAOYSA-N -1 3 349.460 2.279 20 30 EEEDHM C=CCC[C@H]1NC(=O)N(c2ccc(C3CC3)c(-c3nnn[n-]3)c2)C1=O ZINC001588582952 1348920714 /nfs/dbraw/zinc/92/07/14/1348920714.db2.gz RYDZOSVTTUDKKV-CQSZACIVSA-N -1 3 338.371 2.135 20 30 EEEDHM C=CCC[C@H]1NC(=O)N(c2ccc(C3CC3)c(-c3nn[n-]n3)c2)C1=O ZINC001588582952 1348920717 /nfs/dbraw/zinc/92/07/17/1348920717.db2.gz RYDZOSVTTUDKKV-CQSZACIVSA-N -1 3 338.371 2.135 20 30 EEEDHM C=CCCCC(=O)N1CC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588588388 1348922036 /nfs/dbraw/zinc/92/20/36/1348922036.db2.gz MJPUXRWSTOXAHA-LBPRGKRZSA-N -1 3 344.394 2.375 20 30 EEEDHM C=CCCCC(=O)N1CC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588588388 1348922037 /nfs/dbraw/zinc/92/20/37/1348922037.db2.gz MJPUXRWSTOXAHA-LBPRGKRZSA-N -1 3 344.394 2.375 20 30 EEEDHM C=CCN(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588626627 1348923948 /nfs/dbraw/zinc/92/39/48/1348923948.db2.gz NJTAKPFBHDPLGY-UHFFFAOYSA-N -1 3 337.181 2.279 20 30 EEEDHM C=CCN(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588626627 1348923945 /nfs/dbraw/zinc/92/39/45/1348923945.db2.gz NJTAKPFBHDPLGY-UHFFFAOYSA-N -1 3 337.181 2.279 20 30 EEEDHM C=CCN(Cc1ccccc1F)C(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001588653752 1348928321 /nfs/dbraw/zinc/92/83/21/1348928321.db2.gz XVJFZIMXUBNSSK-UHFFFAOYSA-N -1 3 338.346 2.229 20 30 EEEDHM C=CCN(Cc1ccccc1F)C(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001588653752 1348928323 /nfs/dbraw/zinc/92/83/23/1348928323.db2.gz XVJFZIMXUBNSSK-UHFFFAOYSA-N -1 3 338.346 2.229 20 30 EEEDHM C=CCOCCCCOC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001588682718 1348928762 /nfs/dbraw/zinc/92/87/62/1348928762.db2.gz QIUZVZFUQFLKDK-UHFFFAOYSA-N -1 3 345.403 2.072 20 30 EEEDHM C=CCOCCCCOC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001588682718 1348928766 /nfs/dbraw/zinc/92/87/66/1348928766.db2.gz QIUZVZFUQFLKDK-UHFFFAOYSA-N -1 3 345.403 2.072 20 30 EEEDHM CC(=O)C(C)=NOCc1cc(-c2nnn[n-]2)ccc1Br ZINC001588781487 1348936600 /nfs/dbraw/zinc/93/66/00/1348936600.db2.gz DWYJYJCVPLHAAT-UHFFFAOYSA-N -1 3 338.165 2.111 20 30 EEEDHM CC(=O)C(C)=NOCc1cc(-c2nn[n-]n2)ccc1Br ZINC001588781487 1348936603 /nfs/dbraw/zinc/93/66/03/1348936603.db2.gz DWYJYJCVPLHAAT-UHFFFAOYSA-N -1 3 338.165 2.111 20 30 EEEDHM C[C@H](C#N)OCCSc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC001588934249 1348949575 /nfs/dbraw/zinc/94/95/75/1348949575.db2.gz HKIGJEYXVFKZDW-SSDOTTSWSA-N -1 3 344.322 2.301 20 30 EEEDHM C[C@H](C#N)OCCSc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC001588934249 1348949578 /nfs/dbraw/zinc/94/95/78/1348949578.db2.gz HKIGJEYXVFKZDW-SSDOTTSWSA-N -1 3 344.322 2.301 20 30 EEEDHM CC(C)(NC(=O)Nc1cccc(C#N)n1)c1cccc(-c2nnn[n-]2)c1 ZINC001589317205 1348982778 /nfs/dbraw/zinc/98/27/78/1348982778.db2.gz JTXGVHHPWRJUSH-UHFFFAOYSA-N -1 3 348.370 2.190 20 30 EEEDHM CC(C)(NC(=O)Nc1cccc(C#N)n1)c1cccc(-c2nn[n-]n2)c1 ZINC001589317205 1348982781 /nfs/dbraw/zinc/98/27/81/1348982781.db2.gz JTXGVHHPWRJUSH-UHFFFAOYSA-N -1 3 348.370 2.190 20 30 EEEDHM CC(C)[C@@H](NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001589468268 1348992190 /nfs/dbraw/zinc/99/21/90/1348992190.db2.gz XUIYISYRZXCYGC-HZPDHXFCSA-N -1 3 338.415 2.100 20 30 EEEDHM CC(C)Cc1nc(C#N)c(N=NCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC001589664594 1349016941 /nfs/dbraw/zinc/01/69/41/1349016941.db2.gz PBVPTTDBYXTPFN-UHFFFAOYSA-N -1 3 336.359 2.371 20 30 EEEDHM CC(C)Cc1nc(C#N)c(N=NCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001589664594 1349016947 /nfs/dbraw/zinc/01/69/47/1349016947.db2.gz PBVPTTDBYXTPFN-UHFFFAOYSA-N -1 3 336.359 2.371 20 30 EEEDHM CC1(C)CC[C@@H](CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)OC1 ZINC001590090984 1349149270 /nfs/dbraw/zinc/14/92/70/1349149270.db2.gz RIRXVCRIDKQTGL-JTQLQIEISA-N -1 3 345.432 2.013 20 30 EEEDHM CC1(C)CC[C@@H](CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)OC1 ZINC001590090984 1349149277 /nfs/dbraw/zinc/14/92/77/1349149277.db2.gz RIRXVCRIDKQTGL-JTQLQIEISA-N -1 3 345.432 2.013 20 30 EEEDHM CC[C@H](NCc1nc(-c2nnn[n-]2)cs1)c1cccc(C#N)c1 ZINC001590470234 1349343913 /nfs/dbraw/zinc/34/39/13/1349343913.db2.gz VRPZXGHCGYEWED-LBPRGKRZSA-N -1 3 325.401 2.436 20 30 EEEDHM CC[C@H](NCc1nc(-c2nn[n-]n2)cs1)c1cccc(C#N)c1 ZINC001590470234 1349343917 /nfs/dbraw/zinc/34/39/17/1349343917.db2.gz VRPZXGHCGYEWED-LBPRGKRZSA-N -1 3 325.401 2.436 20 30 EEEDHM COC(=O)c1cccc(COc2ccccc2C#N)c1-c1nnn[n-]1 ZINC001591301270 1349458855 /nfs/dbraw/zinc/45/88/55/1349458855.db2.gz CSFXSQVAMAYUNE-UHFFFAOYSA-N -1 3 335.323 2.104 20 30 EEEDHM COC(=O)c1cccc(COc2ccccc2C#N)c1-c1nn[n-]n1 ZINC001591301270 1349458858 /nfs/dbraw/zinc/45/88/58/1349458858.db2.gz CSFXSQVAMAYUNE-UHFFFAOYSA-N -1 3 335.323 2.104 20 30 EEEDHM COC(=O)c1occc1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001591308651 1349459850 /nfs/dbraw/zinc/45/98/50/1349459850.db2.gz QBMMKEBUGPMLGL-GHXNOFRVSA-N -1 3 336.307 2.069 20 30 EEEDHM COC(=O)c1occc1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001591308651 1349459854 /nfs/dbraw/zinc/45/98/54/1349459854.db2.gz QBMMKEBUGPMLGL-GHXNOFRVSA-N -1 3 336.307 2.069 20 30 EEEDHM Cc1ccc(C(=O)OCCOc2ccccc2C#N)cc1-c1nnn[n-]1 ZINC001592131274 1349594651 /nfs/dbraw/zinc/59/46/51/1349594651.db2.gz LUSUUBXFZCYAOC-UHFFFAOYSA-N -1 3 349.350 2.283 20 30 EEEDHM Cc1ccc(C(=O)OCCOc2ccccc2C#N)cc1-c1nn[n-]n1 ZINC001592131274 1349594660 /nfs/dbraw/zinc/59/46/60/1349594660.db2.gz LUSUUBXFZCYAOC-UHFFFAOYSA-N -1 3 349.350 2.283 20 30 EEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1C[C@@H](OC(C)C)c1ccccc1 ZINC001592341010 1349623138 /nfs/dbraw/zinc/62/31/38/1349623138.db2.gz NSFDWIHKWNCDTH-OAHLLOKOSA-N -1 3 337.387 2.410 20 30 EEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1C[C@@H](OC(C)C)c1ccccc1 ZINC001592341010 1349623140 /nfs/dbraw/zinc/62/31/40/1349623140.db2.gz NSFDWIHKWNCDTH-OAHLLOKOSA-N -1 3 337.387 2.410 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC001592698137 1349707920 /nfs/dbraw/zinc/70/79/20/1349707920.db2.gz KBTRNCRKAAECPB-HDICACEKSA-N -1 3 336.399 2.135 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC001592698137 1349707922 /nfs/dbraw/zinc/70/79/22/1349707922.db2.gz KBTRNCRKAAECPB-HDICACEKSA-N -1 3 336.399 2.135 20 30 EEEDHM O=c1[nH]ccc2cc(NN=Cc3cccc(-c4nnn[n-]4)c3)ccc21 ZINC001593489888 1349817230 /nfs/dbraw/zinc/81/72/30/1349817230.db2.gz MQPSAVVLKGKKMR-UHFFFAOYSA-N -1 3 331.339 2.154 20 30 EEEDHM O=c1[nH]ccc2cc(NN=Cc3cccc(-c4nn[n-]n4)c3)ccc21 ZINC001593489888 1349817237 /nfs/dbraw/zinc/81/72/37/1349817237.db2.gz MQPSAVVLKGKKMR-UHFFFAOYSA-N -1 3 331.339 2.154 20 30 EEEDHM OCc1ccc(O)c(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC001593535102 1349833946 /nfs/dbraw/zinc/83/39/46/1349833946.db2.gz KQUSDLAAQXKVDT-UHFFFAOYSA-N -1 3 344.762 2.164 20 30 EEEDHM OCc1ccc(O)c(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC001593535102 1349833948 /nfs/dbraw/zinc/83/39/48/1349833948.db2.gz KQUSDLAAQXKVDT-UHFFFAOYSA-N -1 3 344.762 2.164 20 30 EEEDHM C#CC[C@@H](OC(=O)c1ccc(C)c(-c2nnn[n-]2)c1)c1ccccn1 ZINC001602696947 1350575102 /nfs/dbraw/zinc/57/51/02/1350575102.db2.gz HYWOOEWKGXYRKW-MRXNPFEDSA-N -1 3 333.351 2.492 20 30 EEEDHM C#CC[C@@H](OC(=O)c1ccc(C)c(-c2nn[n-]n2)c1)c1ccccn1 ZINC001602696947 1350575107 /nfs/dbraw/zinc/57/51/07/1350575107.db2.gz HYWOOEWKGXYRKW-MRXNPFEDSA-N -1 3 333.351 2.492 20 30 EEEDHM C#CCOc1ccc(CNC(=O)c2cccc(-c3nnn[n-]3)c2C)cc1 ZINC001602731800 1350577862 /nfs/dbraw/zinc/57/78/62/1350577862.db2.gz FKIAXMNWQJITLB-UHFFFAOYSA-N -1 3 347.378 2.117 20 30 EEEDHM C#CCOc1ccc(CNC(=O)c2cccc(-c3nn[n-]n3)c2C)cc1 ZINC001602731800 1350577866 /nfs/dbraw/zinc/57/78/66/1350577866.db2.gz FKIAXMNWQJITLB-UHFFFAOYSA-N -1 3 347.378 2.117 20 30 EEEDHM C=C(C)C[C@@H](NC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1)C(=O)[O-] ZINC001602749314 1350580893 /nfs/dbraw/zinc/58/08/93/1350580893.db2.gz DSRRZRVQMZFDSL-CVEARBPZSA-N -1 3 334.416 2.270 20 30 EEEDHM C=CCC1(NC(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)CCOCC1 ZINC001602818927 1350590758 /nfs/dbraw/zinc/59/07/58/1350590758.db2.gz ZRNPKSQPRVUPAU-UHFFFAOYSA-N -1 3 346.366 2.253 20 30 EEEDHM C=CCC1(NC(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)CCOCC1 ZINC001602818927 1350590759 /nfs/dbraw/zinc/59/07/59/1350590759.db2.gz ZRNPKSQPRVUPAU-UHFFFAOYSA-N -1 3 346.366 2.253 20 30 EEEDHM C=CCC1(CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001602818316 1350590969 /nfs/dbraw/zinc/59/09/69/1350590969.db2.gz LXLWAQNZOPCCSD-OAHLLOKOSA-N -1 3 341.415 2.153 20 30 EEEDHM C=CCC1(CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001602818316 1350590971 /nfs/dbraw/zinc/59/09/71/1350590971.db2.gz LXLWAQNZOPCCSD-OAHLLOKOSA-N -1 3 341.415 2.153 20 30 EEEDHM C=CC[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001602823101 1350591582 /nfs/dbraw/zinc/59/15/82/1350591582.db2.gz JMIHBANWNRDMRY-CHWSQXEVSA-N -1 3 327.388 2.059 20 30 EEEDHM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001602825635 1350591733 /nfs/dbraw/zinc/59/17/33/1350591733.db2.gz ZQNWUVSQXDDMRU-AWEZNQCLSA-N -1 3 343.362 2.146 20 30 EEEDHM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001602825635 1350591737 /nfs/dbraw/zinc/59/17/37/1350591737.db2.gz ZQNWUVSQXDDMRU-AWEZNQCLSA-N -1 3 343.362 2.146 20 30 EEEDHM CC(=Nn1cc(Br)cn1)c1ccccc1-c1nnn[n-]1 ZINC001602912947 1350604971 /nfs/dbraw/zinc/60/49/71/1350604971.db2.gz ZHCIDZAJVJFQOE-UHFFFAOYSA-N -1 3 332.165 2.098 20 30 EEEDHM CC(=Nn1cc(Br)cn1)c1ccccc1-c1nn[n-]n1 ZINC001602912947 1350604977 /nfs/dbraw/zinc/60/49/77/1350604977.db2.gz ZHCIDZAJVJFQOE-UHFFFAOYSA-N -1 3 332.165 2.098 20 30 EEEDHM C[C@@H](CC(C)(C)C)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603450944 1350707911 /nfs/dbraw/zinc/70/79/11/1350707911.db2.gz GOIXVTGTMULBBH-SWLSCSKDSA-N -1 3 340.431 2.490 20 30 EEEDHM CCCCCCCCOCC(=O)Nc1n[nH]c(C)c1-c1nnn[n-]1 ZINC001604175783 1350883240 /nfs/dbraw/zinc/88/32/40/1350883240.db2.gz FDVREAWDACYIFS-UHFFFAOYSA-N -1 3 335.412 2.214 20 30 EEEDHM CN(C)c1cc(C#N)cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001604695063 1350986088 /nfs/dbraw/zinc/98/60/88/1350986088.db2.gz SOTSYXSSEGUAJP-UHFFFAOYSA-N -1 3 347.382 2.081 20 30 EEEDHM CN(C)c1cc(C#N)cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001604695063 1350986090 /nfs/dbraw/zinc/98/60/90/1350986090.db2.gz SOTSYXSSEGUAJP-UHFFFAOYSA-N -1 3 347.382 2.081 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC001606379591 1351298942 /nfs/dbraw/zinc/29/89/42/1351298942.db2.gz FQNYKVZZRZIGAM-ZBFHGGJFSA-N -1 3 347.382 2.466 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC001606379591 1351298946 /nfs/dbraw/zinc/29/89/46/1351298946.db2.gz FQNYKVZZRZIGAM-ZBFHGGJFSA-N -1 3 347.382 2.466 20 30 EEEDHM COCC#CCN[C@@](C)(CC(=O)[O-])c1ccc(Br)cc1 ZINC001606772982 1351354855 /nfs/dbraw/zinc/35/48/55/1351354855.db2.gz ZWVMGUGFKCLZAK-HNNXBMFYSA-N -1 3 340.217 2.378 20 30 EEEDHM Cn1cc(CNCc2ccc(C(=O)[O-])[nH]2)c(-c2ccc(C#N)cc2)n1 ZINC001608114807 1351628489 /nfs/dbraw/zinc/62/84/89/1351628489.db2.gz QDVZKNZHQZYSSN-UHFFFAOYSA-N -1 3 335.367 2.275 20 30 EEEDHM CCOc1nccc(C(=O)[N-]c2c(C#N)cnnc2-c2ccccc2)n1 ZINC001199637944 1368689203 /nfs/dbraw/zinc/68/92/03/1368689203.db2.gz OILIEQAWSIMGJC-UHFFFAOYSA-N -1 3 346.350 2.456 20 30 EEEDHM CCOC(=O)[C@@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CC1 ZINC000835807219 1372658172 /nfs/dbraw/zinc/65/81/72/1372658172.db2.gz LLDVTNJVXJRJDM-INIZCTEOSA-N -1 3 346.383 2.093 20 30 EEEDHM C=CCO[N-]C(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC000837048467 1372765408 /nfs/dbraw/zinc/76/54/08/1372765408.db2.gz SQEHXEDWMCPZDG-CQSZACIVSA-N -1 3 349.456 2.172 20 30 EEEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001356462221 1373200470 /nfs/dbraw/zinc/20/04/70/1373200470.db2.gz AECWKOGWSCICDX-QWHCGFSZSA-N -1 3 345.403 2.078 20 30 EEEDHM N#CC1(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)CCCCC1 ZINC001592669519 1404709549 /nfs/dbraw/zinc/70/95/49/1404709549.db2.gz XMKSTMASDMWLCF-HJWRWDBZSA-N -1 3 336.399 2.470 20 30 EEEDHM N#CC1(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)CCCCC1 ZINC001592669519 1404709559 /nfs/dbraw/zinc/70/95/59/1404709559.db2.gz XMKSTMASDMWLCF-HJWRWDBZSA-N -1 3 336.399 2.470 20 30 EEEDHM N#CCC[C@H](C#N)CN1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001592673841 1404710057 /nfs/dbraw/zinc/71/00/57/1404710057.db2.gz QDRQGBFQCWNHDV-CQSZACIVSA-N -1 3 335.415 2.490 20 30 EEEDHM N#CCN(C(=O)c1cc(-c2nnn[n-]2)ccn1)c1ccc(Cl)cc1 ZINC001592677220 1404712830 /nfs/dbraw/zinc/71/28/30/1404712830.db2.gz GJXUPCZIVMAUAY-UHFFFAOYSA-N -1 3 339.746 2.085 20 30 EEEDHM N#CCN(C(=O)c1cc(-c2nn[n-]n2)ccn1)c1ccc(Cl)cc1 ZINC001592677220 1404712840 /nfs/dbraw/zinc/71/28/40/1404712840.db2.gz GJXUPCZIVMAUAY-UHFFFAOYSA-N -1 3 339.746 2.085 20 30 EEEDHM N#CCSCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC001592681891 1404713469 /nfs/dbraw/zinc/71/34/69/1404713469.db2.gz KSERTCPQRPDDKC-UHFFFAOYSA-N -1 3 334.430 2.002 20 30 EEEDHM N#CCSCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC001592681891 1404713472 /nfs/dbraw/zinc/71/34/72/1404713472.db2.gz KSERTCPQRPDDKC-UHFFFAOYSA-N -1 3 334.430 2.002 20 30 EEEDHM N#CCc1ccccc1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC001592680690 1404714016 /nfs/dbraw/zinc/71/40/16/1404714016.db2.gz DPPYQRFUAJVRDK-UHFFFAOYSA-N -1 3 337.314 2.429 20 30 EEEDHM N#CCc1ccccc1C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC001592680690 1404714021 /nfs/dbraw/zinc/71/40/21/1404714021.db2.gz DPPYQRFUAJVRDK-UHFFFAOYSA-N -1 3 337.314 2.429 20 30 EEEDHM N#Cc1c(N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)nc2ccccn21 ZINC001592685351 1404714401 /nfs/dbraw/zinc/71/44/01/1404714401.db2.gz PPGDZELKWPKNEM-AWEZNQCLSA-N -1 3 342.366 2.485 20 30 EEEDHM N#Cc1c(N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)nc2ccccn21 ZINC001592685351 1404714404 /nfs/dbraw/zinc/71/44/04/1404714404.db2.gz PPGDZELKWPKNEM-AWEZNQCLSA-N -1 3 342.366 2.485 20 30 EEEDHM N#Cc1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1F ZINC001592694488 1404715824 /nfs/dbraw/zinc/71/58/24/1404715824.db2.gz WEKOVCNOJDKLRI-UHFFFAOYSA-N -1 3 339.290 2.398 20 30 EEEDHM N#Cc1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1F ZINC001592694488 1404715829 /nfs/dbraw/zinc/71/58/29/1404715829.db2.gz WEKOVCNOJDKLRI-UHFFFAOYSA-N -1 3 339.290 2.398 20 30 EEEDHM C#CCCCC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])CC[C@@H]1C ZINC001756795276 1409337859 /nfs/dbraw/zinc/33/78/59/1409337859.db2.gz KAIFJPGGVKHJIL-GJZGRUSLSA-N -1 3 328.412 2.305 20 30 EEEDHM N#Cc1ccc(F)cc1CN1CC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001038073817 777647390 /nfs/dbraw/zinc/64/73/90/777647390.db2.gz LWERCHSYCRFTGW-MRXNPFEDSA-N -1 3 339.370 2.407 20 30 EEEDHM C=CCOC[C@@H](NC(=O)c1cccc(CN2CCCCC2)c1)C(=O)[O-] ZINC000909767799 786220412 /nfs/dbraw/zinc/22/04/12/786220412.db2.gz QNWRRISPOWPRCT-QGZVFWFLSA-N -1 3 346.427 2.058 20 30 EEEDHM N#C[C@@H]1COCCN1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000822806927 787399518 /nfs/dbraw/zinc/39/95/18/787399518.db2.gz WFUODKXZVSRQEX-MRXNPFEDSA-N -1 3 346.394 2.258 20 30 EEEDHM N#C[C@@H]1COCCN1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000822806927 787399533 /nfs/dbraw/zinc/39/95/33/787399533.db2.gz WFUODKXZVSRQEX-MRXNPFEDSA-N -1 3 346.394 2.258 20 30 EEEDHM CCOC(=O)c1cc2cc(N[C@@H]3C(=O)N([O-])C[C@@H]3C)ccc2nc1C ZINC001171368528 793323389 /nfs/dbraw/zinc/32/33/89/793323389.db2.gz HZHSSJUYAYWLEN-QFYYESIMSA-N -1 3 343.383 2.368 20 30 EEEDHM CCc1nc(C#N)cc(NCC[C@@H](C)NC(=O)c2ccccc2[O-])n1 ZINC001106228720 795261817 /nfs/dbraw/zinc/26/18/17/795261817.db2.gz VJYUVBGNYWJGSD-GFCCVEGCSA-N -1 3 339.399 2.237 20 30 EEEDHM Cc1nc[n-]c(=O)c1C(=O)N[C@H](C)CCNc1cccc(F)c1C#N ZINC001106546351 795805392 /nfs/dbraw/zinc/80/53/92/795805392.db2.gz DFIZGLOWZNQGLZ-SNVBAGLBSA-N -1 3 343.362 2.122 20 30 EEEDHM CCOc1cc(C=NN2C(=O)N[C@@](C)(CC)C2=O)cc(Cl)c1[O-] ZINC000916330507 797584817 /nfs/dbraw/zinc/58/48/17/797584817.db2.gz KBOSSVKXKIUOHP-HNNXBMFYSA-N -1 3 339.779 2.499 20 30 EEEDHM C=C(Br)CN1CC[C@@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001032914133 800373323 /nfs/dbraw/zinc/37/33/23/800373323.db2.gz XRFZZXABTFHBQT-GFCCVEGCSA-N -1 3 339.233 2.447 20 30 EEEDHM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001033024242 800903396 /nfs/dbraw/zinc/90/33/96/800903396.db2.gz BTAHPULXJOCPIW-INIZCTEOSA-N -1 3 336.395 2.005 20 30 EEEDHM N#Cc1cnc(N2CC[C@H](CNC(=O)c3ccccc3[O-])C2)c(F)c1 ZINC001061509667 802309972 /nfs/dbraw/zinc/30/99/72/802309972.db2.gz GIKCASWWCHDTPB-GFCCVEGCSA-N -1 3 340.358 2.054 20 30 EEEDHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cc(-c3cccc(C#N)c3)no1)C2 ZINC001168938423 803526873 /nfs/dbraw/zinc/52/68/73/803526873.db2.gz GBPRARXSOQNFCY-UHFFFAOYSA-N -1 3 347.334 2.173 20 30 EEEDHM C=C1CC(C)(C(=O)N(C)CCNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573297045 947058263 /nfs/dbraw/zinc/05/82/63/947058263.db2.gz CXIMEMZNSZMYHQ-UHFFFAOYSA-N -1 3 344.394 2.232 20 30 EEEDHM C=C1CC(C)(C(=O)N(C)CCNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573297045 947058272 /nfs/dbraw/zinc/05/82/72/947058272.db2.gz CXIMEMZNSZMYHQ-UHFFFAOYSA-N -1 3 344.394 2.232 20 30 EEEDHM C=C[C@H](CC)CC(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573314341 947229583 /nfs/dbraw/zinc/22/95/83/947229583.db2.gz BCQGVUAOMGKOAZ-CHWSQXEVSA-N -1 3 343.435 2.123 20 30 EEEDHM C=C[C@H](CC)CC(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573314341 947229593 /nfs/dbraw/zinc/22/95/93/947229593.db2.gz BCQGVUAOMGKOAZ-CHWSQXEVSA-N -1 3 343.435 2.123 20 30 EEEDHM Cn1nnc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)c(F)c3)ccc21 ZINC000826367231 948145690 /nfs/dbraw/zinc/14/56/90/948145690.db2.gz QKQBSTQVMYFJGY-CLTKARDFSA-N -1 3 349.329 2.184 20 30 EEEDHM Cn1nnc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)c(F)c3)ccc21 ZINC000826367231 948145698 /nfs/dbraw/zinc/14/56/98/948145698.db2.gz QKQBSTQVMYFJGY-CLTKARDFSA-N -1 3 349.329 2.184 20 30 EEEDHM N#Cc1ccnc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC001570926118 948684089 /nfs/dbraw/zinc/68/40/89/948684089.db2.gz WHGWFLJLNBBNCC-UHFFFAOYSA-N -1 3 325.719 2.039 20 30 EEEDHM N#Cc1ccnc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC001570926118 948684097 /nfs/dbraw/zinc/68/40/97/948684097.db2.gz WHGWFLJLNBBNCC-UHFFFAOYSA-N -1 3 325.719 2.039 20 30 EEEDHM CC[C@@H](NC(=O)C(C#N)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001595233347 980134152 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EEEDHM C=CC(C)(C)C(=O)N(C)[C@H](C)CNc1snc(C)c1-c1nnn[n-]1 ZINC001602780041 1350585493 /nfs/dbraw/zinc/58/54/93/1350585493.db2.gz HHXDTFVRNWQSGB-SECBINFHSA-N -1 3 349.464 2.103 20 30 EEEDHM COc1ccc(C#N)cc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001605255006 1351117413 /nfs/dbraw/zinc/11/74/13/1351117413.db2.gz AXZIPXDMUSYRBP-UHFFFAOYSA-N -1 3 348.366 2.318 20 30 EEEDHM COc1ccc(C#N)cc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001605255006 1351117415 /nfs/dbraw/zinc/11/74/15/1351117415.db2.gz AXZIPXDMUSYRBP-UHFFFAOYSA-N -1 3 348.366 2.318 20 30 EEEDHM C=CCC1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC001609053540 1351826096 /nfs/dbraw/zinc/82/60/96/1351826096.db2.gz MHNLIWPQZCCHBT-UHFFFAOYSA-N -1 3 328.372 2.283 20 30 EEEDHM C=CCC1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001609053540 1351826097 /nfs/dbraw/zinc/82/60/97/1351826097.db2.gz MHNLIWPQZCCHBT-UHFFFAOYSA-N -1 3 328.372 2.283 20 30 EEEDHM C=CCN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2)SC1=S ZINC001609057406 1351826935 /nfs/dbraw/zinc/82/69/35/1351826935.db2.gz QEEWHGKXSMVDFT-FLIBITNWSA-N -1 3 329.410 2.254 20 30 EEEDHM C=CCN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2)SC1=S ZINC001609057406 1351826940 /nfs/dbraw/zinc/82/69/40/1351826940.db2.gz QEEWHGKXSMVDFT-FLIBITNWSA-N -1 3 329.410 2.254 20 30 EEEDHM CC#CC[C@H](CO)Nc1cc(-c2nnn[n-]2)ccc1C(F)(F)F ZINC001609060106 1351827757 /nfs/dbraw/zinc/82/77/57/1351827757.db2.gz YYQHUSRODXWKNV-SNVBAGLBSA-N -1 3 325.294 2.072 20 30 EEEDHM CC#CC[C@H](CO)Nc1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC001609060106 1351827761 /nfs/dbraw/zinc/82/77/61/1351827761.db2.gz YYQHUSRODXWKNV-SNVBAGLBSA-N -1 3 325.294 2.072 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1NC(=O)c1cc(C#N)cs1 ZINC001609336176 1351937067 /nfs/dbraw/zinc/93/70/67/1351937067.db2.gz XBHSVUWTZVNMIH-UHFFFAOYSA-N -1 3 326.341 2.061 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1NC(=O)c1cc(C#N)cs1 ZINC001609336176 1351937069 /nfs/dbraw/zinc/93/70/69/1351937069.db2.gz XBHSVUWTZVNMIH-UHFFFAOYSA-N -1 3 326.341 2.061 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC001609390965 1351957256 /nfs/dbraw/zinc/95/72/56/1351957256.db2.gz SSTGJJRAVYWBMA-NSHDSACASA-N -1 3 334.339 2.360 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC001609390965 1351957259 /nfs/dbraw/zinc/95/72/59/1351957259.db2.gz SSTGJJRAVYWBMA-NSHDSACASA-N -1 3 334.339 2.360 20 30 EEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001339014058 1336944977 /nfs/dbraw/zinc/94/49/77/1336944977.db2.gz CGSMJKSWDCTPNA-GFCCVEGCSA-N -1 3 333.392 2.076 20 30 EEEDHM C#CCN(c1nnc(-c2c[n-]oc2=O)n1C)[C@@H]1CCc2ccccc21 ZINC001350953456 1337776379 /nfs/dbraw/zinc/77/63/79/1337776379.db2.gz ZHBFIKSCWYGCKY-OAHLLOKOSA-N -1 3 335.367 2.303 20 30 EEEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC2(CCC2)C1 ZINC001356134956 1338797475 /nfs/dbraw/zinc/79/74/75/1338797475.db2.gz SBXUCLAGEHZOKY-UHFFFAOYSA-N -1 3 326.404 2.316 20 30 EEEDHM CN(C(=O)c1ccc(-c2nnn[n-]2)n1C)c1ccc(C#N)c(Cl)c1 ZINC001578923202 1344319342 /nfs/dbraw/zinc/31/93/42/1344319342.db2.gz VPNVGYVAHGSHIR-UHFFFAOYSA-N -1 3 341.762 2.007 20 30 EEEDHM CN(C(=O)c1ccc(-c2nn[n-]n2)n1C)c1ccc(C#N)c(Cl)c1 ZINC001578923202 1344319343 /nfs/dbraw/zinc/31/93/43/1344319343.db2.gz VPNVGYVAHGSHIR-UHFFFAOYSA-N -1 3 341.762 2.007 20 30 EEEDHM CN(Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1ccc(CC#N)cc1 ZINC001579242234 1344358173 /nfs/dbraw/zinc/35/81/73/1344358173.db2.gz WSKIZJGODQJGQL-UHFFFAOYSA-N -1 3 338.396 2.266 20 30 EEEDHM CN(Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1ccc(CC#N)cc1 ZINC001579242234 1344358175 /nfs/dbraw/zinc/35/81/75/1344358175.db2.gz WSKIZJGODQJGQL-UHFFFAOYSA-N -1 3 338.396 2.266 20 30 EEEDHM C#C[C@@H](Nc1nnccc1-c1nnn[n-]1)c1ccc(Cl)cc1F ZINC001588328885 1348888175 /nfs/dbraw/zinc/88/81/75/1348888175.db2.gz SNYXNBYZIWJUNH-GFCCVEGCSA-N -1 3 329.726 2.236 20 30 EEEDHM C#C[C@@H](Nc1nnccc1-c1nn[n-]n1)c1ccc(Cl)cc1F ZINC001588328885 1348888178 /nfs/dbraw/zinc/88/81/78/1348888178.db2.gz SNYXNBYZIWJUNH-GFCCVEGCSA-N -1 3 329.726 2.236 20 30 EEEDHM C#CC[C@H](CCOC)Nc1nc2cc(Cl)ccn2c1-c1nnn[n-]1 ZINC001588330838 1348889584 /nfs/dbraw/zinc/88/95/84/1348889584.db2.gz FTNQJDPBPFQURT-LLVKDONJSA-N -1 3 345.794 2.008 20 30 EEEDHM C#CC[C@H](CCOC)Nc1nc2cc(Cl)ccn2c1-c1nn[n-]n1 ZINC001588330838 1348889588 /nfs/dbraw/zinc/88/95/88/1348889588.db2.gz FTNQJDPBPFQURT-LLVKDONJSA-N -1 3 345.794 2.008 20 30 EEEDHM C#CCNC(=O)c1ccccc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588354488 1348894908 /nfs/dbraw/zinc/89/49/08/1348894908.db2.gz ZTODGPVTJHYKEI-ZDUSSCGKSA-N -1 3 346.394 2.403 20 30 EEEDHM C#CCNC(=O)c1ccccc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588354488 1348894912 /nfs/dbraw/zinc/89/49/12/1348894912.db2.gz ZTODGPVTJHYKEI-ZDUSSCGKSA-N -1 3 346.394 2.403 20 30 EEEDHM C#C[C@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)ccc2Cl)CC1 ZINC001588365232 1348896353 /nfs/dbraw/zinc/89/63/53/1348896353.db2.gz QFWPEFPRCNZALH-UMSPYCQHSA-N -1 3 329.791 2.442 20 30 EEEDHM C#C[C@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)ccc2Cl)CC1 ZINC001588365232 1348896357 /nfs/dbraw/zinc/89/63/57/1348896357.db2.gz QFWPEFPRCNZALH-UMSPYCQHSA-N -1 3 329.791 2.442 20 30 EEEDHM C#Cc1ccc(N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)nc1 ZINC001588373645 1348896806 /nfs/dbraw/zinc/89/68/06/1348896806.db2.gz QBLGQGIYGIMZTA-UHFFFAOYSA-N -1 3 346.394 2.291 20 30 EEEDHM C#Cc1ccc(N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)nc1 ZINC001588373645 1348896811 /nfs/dbraw/zinc/89/68/11/1348896811.db2.gz QBLGQGIYGIMZTA-UHFFFAOYSA-N -1 3 346.394 2.291 20 30 EEEDHM C#Cc1cccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC001588375380 1348897575 /nfs/dbraw/zinc/89/75/75/1348897575.db2.gz SHBUFEJDFGOHEU-GFCCVEGCSA-N -1 3 333.351 2.254 20 30 EEEDHM C#Cc1cccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC001588375380 1348897581 /nfs/dbraw/zinc/89/75/81/1348897581.db2.gz SHBUFEJDFGOHEU-GFCCVEGCSA-N -1 3 333.351 2.254 20 30 EEEDHM C=C(C)[C@@H](CC(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21)OCC ZINC001588401950 1348900874 /nfs/dbraw/zinc/90/08/74/1348900874.db2.gz ARVXRJQTCVOFGB-JKSUJKDBSA-N -1 3 341.415 2.342 20 30 EEEDHM C=C(C)[C@@H](CC(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21)OCC ZINC001588401950 1348900875 /nfs/dbraw/zinc/90/08/75/1348900875.db2.gz ARVXRJQTCVOFGB-JKSUJKDBSA-N -1 3 341.415 2.342 20 30 EEEDHM C=C[C@](C)(CC)C(=O)N[C@@H](C)CNc1snc(C)c1-c1nnn[n-]1 ZINC001588493331 1348909146 /nfs/dbraw/zinc/90/91/46/1348909146.db2.gz COMXBPCNZKPISX-BJOHPYRUSA-N -1 3 349.464 2.151 20 30 EEEDHM C=C[C@H](C)ONC(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588518653 1348911130 /nfs/dbraw/zinc/91/11/30/1348911130.db2.gz IJPAOUZQHJHTCX-HZMBPMFUSA-N -1 3 328.376 2.049 20 30 EEEDHM C=C[C@H](C)ONC(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588518653 1348911132 /nfs/dbraw/zinc/91/11/32/1348911132.db2.gz IJPAOUZQHJHTCX-HZMBPMFUSA-N -1 3 328.376 2.049 20 30 EEEDHM C=C[C@@H](C)NC(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001588515899 1348911655 /nfs/dbraw/zinc/91/16/55/1348911655.db2.gz KNHWSJNYWHVEFB-KCJUWKMLSA-N -1 3 340.309 2.344 20 30 EEEDHM C=C[C@@H](C)NC(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001588515899 1348911658 /nfs/dbraw/zinc/91/16/58/1348911658.db2.gz KNHWSJNYWHVEFB-KCJUWKMLSA-N -1 3 340.309 2.344 20 30 EEEDHM C=CC[C@@H](CO)NC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588545790 1348914691 /nfs/dbraw/zinc/91/46/91/1348914691.db2.gz ODUBWAIKSYNCFS-NSHDSACASA-N -1 3 343.412 2.057 20 30 EEEDHM C=CC[C@@H](CO)NC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588545790 1348914692 /nfs/dbraw/zinc/91/46/92/1348914692.db2.gz ODUBWAIKSYNCFS-NSHDSACASA-N -1 3 343.412 2.057 20 30 EEEDHM C=CC[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1C)c1ccncc1 ZINC001588549276 1348915478 /nfs/dbraw/zinc/91/54/78/1348915478.db2.gz MNCHFLXQOCSUEM-CQSZACIVSA-N -1 3 335.371 2.012 20 30 EEEDHM C=CC[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1C)c1ccncc1 ZINC001588549276 1348915481 /nfs/dbraw/zinc/91/54/81/1348915481.db2.gz MNCHFLXQOCSUEM-CQSZACIVSA-N -1 3 335.371 2.012 20 30 EEEDHM C=CCCC(=O)N1CCCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001588565934 1348917795 /nfs/dbraw/zinc/91/77/95/1348917795.db2.gz AIUHLIRTEOZVHE-ZDUSSCGKSA-N -1 3 341.419 2.021 20 30 EEEDHM C=CCCC(=O)N1CCCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001588565934 1348917796 /nfs/dbraw/zinc/91/77/96/1348917796.db2.gz AIUHLIRTEOZVHE-ZDUSSCGKSA-N -1 3 341.419 2.021 20 30 EEEDHM C=CCCC(=O)N[C@@H](CNc1ncccc1-c1nnn[n-]1)C(C)(C)C ZINC001588570793 1348918688 /nfs/dbraw/zinc/91/86/88/1348918688.db2.gz DHQPTLYYJBCHCO-ZDUSSCGKSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCCC(=O)N[C@@H](CNc1ncccc1-c1nn[n-]n1)C(C)(C)C ZINC001588570793 1348918691 /nfs/dbraw/zinc/91/86/91/1348918691.db2.gz DHQPTLYYJBCHCO-ZDUSSCGKSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCCCCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001588596097 1348922004 /nfs/dbraw/zinc/92/20/04/1348922004.db2.gz HWBLBIRYBKZBPB-INIZCTEOSA-N -1 3 340.431 2.308 20 30 EEEDHM C=CCCCN(CC)c1nnc(-c2ccc(-c3nnn[n-]3)[nH]2)n1CC ZINC001588601714 1348922728 /nfs/dbraw/zinc/92/27/28/1348922728.db2.gz SRKLCCOKOJLMNM-UHFFFAOYSA-N -1 3 341.423 2.266 20 30 EEEDHM C=CCCCN(CC)c1nnc(-c2ccc(-c3nn[n-]n3)[nH]2)n1CC ZINC001588601714 1348922731 /nfs/dbraw/zinc/92/27/31/1348922731.db2.gz SRKLCCOKOJLMNM-UHFFFAOYSA-N -1 3 341.423 2.266 20 30 EEEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(C)[C@H](C)CC#N ZINC001588700937 1348929828 /nfs/dbraw/zinc/92/98/28/1348929828.db2.gz ZCXKTBWVNHBMMO-GFCCVEGCSA-N -1 3 349.402 2.050 20 30 EEEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(C)[C@H](C)CC#N ZINC001588700937 1348929831 /nfs/dbraw/zinc/92/98/31/1348929831.db2.gz ZCXKTBWVNHBMMO-GFCCVEGCSA-N -1 3 349.402 2.050 20 30 EEEDHM C=CCc1cc(OC)ccc1OC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001588695432 1348929877 /nfs/dbraw/zinc/92/98/77/1348929877.db2.gz WFSRXNPPDUZYQW-UHFFFAOYSA-N -1 3 337.339 2.218 20 30 EEEDHM C=CCc1cc(OC)ccc1OC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001588695432 1348929881 /nfs/dbraw/zinc/92/98/81/1348929881.db2.gz WFSRXNPPDUZYQW-UHFFFAOYSA-N -1 3 337.339 2.218 20 30 EEEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)OCC(=O)N2 ZINC001588780556 1348935097 /nfs/dbraw/zinc/93/50/97/1348935097.db2.gz FGBNGTBPDSYVRW-UHFFFAOYSA-N -1 3 349.354 2.034 20 30 EEEDHM CC(=O)N(C)c1ccc(Nc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001588800528 1348938349 /nfs/dbraw/zinc/93/83/49/1348938349.db2.gz OTPZIGWCKJORHO-UHFFFAOYSA-N -1 3 333.355 2.465 20 30 EEEDHM CC(=O)N(C)c1ccc(Nc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001588800528 1348938352 /nfs/dbraw/zinc/93/83/52/1348938352.db2.gz OTPZIGWCKJORHO-UHFFFAOYSA-N -1 3 333.355 2.465 20 30 EEEDHM C[C@H](CNc1c(C#N)cccc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC001589875865 1349053601 /nfs/dbraw/zinc/05/36/01/1349053601.db2.gz JRQYEOMJWLJMAB-SNVBAGLBSA-N -1 3 343.391 2.063 20 30 EEEDHM C[C@H](CNc1c(C#N)cccc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC001589875865 1349053607 /nfs/dbraw/zinc/05/36/07/1349053607.db2.gz JRQYEOMJWLJMAB-SNVBAGLBSA-N -1 3 343.391 2.063 20 30 EEEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)c1cccc(C#N)c1 ZINC001590028014 1349115522 /nfs/dbraw/zinc/11/55/22/1349115522.db2.gz KQOLIKAGUGRPHK-LBPRGKRZSA-N -1 3 348.366 2.169 20 30 EEEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)c1cccc(C#N)c1 ZINC001590028014 1349115533 /nfs/dbraw/zinc/11/55/33/1349115533.db2.gz KQOLIKAGUGRPHK-LBPRGKRZSA-N -1 3 348.366 2.169 20 30 EEEDHM C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001590055713 1349135114 /nfs/dbraw/zinc/13/51/14/1349135114.db2.gz WOLNNBKSXXBLOR-HNNXBMFYSA-N -1 3 329.339 2.163 20 30 EEEDHM C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001590055713 1349135120 /nfs/dbraw/zinc/13/51/20/1349135120.db2.gz WOLNNBKSXXBLOR-HNNXBMFYSA-N -1 3 329.339 2.163 20 30 EEEDHM CO[C@H]1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C12CCC2 ZINC001591345198 1349465501 /nfs/dbraw/zinc/46/55/01/1349465501.db2.gz HQEXAZDVIUWSKY-JTQLQIEISA-N -1 3 333.783 2.272 20 30 EEEDHM CO[C@H]1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C12CCC2 ZINC001591345198 1349465505 /nfs/dbraw/zinc/46/55/05/1349465505.db2.gz HQEXAZDVIUWSKY-JTQLQIEISA-N -1 3 333.783 2.272 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1NC(=O)c1ccc(C#N)s1 ZINC001591493883 1349493819 /nfs/dbraw/zinc/49/38/19/1349493819.db2.gz ARXHJAXOXDXSRQ-UHFFFAOYSA-N -1 3 326.341 2.061 20 30 EEEDHM 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2.442 20 30 EEEDHM C#Cc1cncc(C(=O)N(c2cccc(-c3nn[n-]n3)c2)C2CCC2)c1 ZINC001602743651 1350579818 /nfs/dbraw/zinc/57/98/18/1350579818.db2.gz ZTGVSBGDSZKLMA-UHFFFAOYSA-N -1 3 344.378 2.442 20 30 EEEDHM C=CC(C)(C)CNC(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001602786853 1350586172 /nfs/dbraw/zinc/58/61/72/1350586172.db2.gz NBGLLSHFIDJLNV-UHFFFAOYSA-N -1 3 340.309 2.223 20 30 EEEDHM C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001602788895 1350586865 /nfs/dbraw/zinc/58/68/65/1350586865.db2.gz PSMWZNZAJDRBEO-UKRRQHHQSA-N -1 3 336.819 2.391 20 30 EEEDHM C=CCCC(=O)NC[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001602826872 1350592425 /nfs/dbraw/zinc/59/24/25/1350592425.db2.gz MTPPIDMRYNTKHA-SNVBAGLBSA-N -1 3 349.826 2.046 20 30 EEEDHM C=CCCC(=O)NC[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001602826872 1350592431 /nfs/dbraw/zinc/59/24/31/1350592431.db2.gz MTPPIDMRYNTKHA-SNVBAGLBSA-N -1 3 349.826 2.046 20 30 EEEDHM C=CCCCCOC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602837919 1350594024 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C=CCOCCNC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001602871820 1350599683 /nfs/dbraw/zinc/59/96/83/1350599683.db2.gz YMVWTUHPBRWIKE-UHFFFAOYSA-N -1 3 343.412 2.322 20 30 EEEDHM C=CCn1c(C)nnc1SCCOc1cccc(-c2nnn[n-]2)c1 ZINC001602880132 1350600288 /nfs/dbraw/zinc/60/02/88/1350600288.db2.gz QWGPHPOQQPFGIO-UHFFFAOYSA-N -1 3 343.416 2.124 20 30 EEEDHM C=CCn1c(C)nnc1SCCOc1cccc(-c2nn[n-]n2)c1 ZINC001602880132 1350600292 /nfs/dbraw/zinc/60/02/92/1350600292.db2.gz QWGPHPOQQPFGIO-UHFFFAOYSA-N -1 3 343.416 2.124 20 30 EEEDHM C[C@@H](C#N)CN(C(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1)C1CC1 ZINC001602983484 1350618341 /nfs/dbraw/zinc/61/83/41/1350618341.db2.gz JXDISRLMXKPDLI-JTQLQIEISA-N -1 3 335.371 2.112 20 30 EEEDHM C[C@@H](C#N)CN(C(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1)C1CC1 ZINC001602983484 1350618345 /nfs/dbraw/zinc/61/83/45/1350618345.db2.gz JXDISRLMXKPDLI-JTQLQIEISA-N -1 3 335.371 2.112 20 30 EEEDHM C[C@H]1CCCCN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001603889388 1350795009 /nfs/dbraw/zinc/79/50/09/1350795009.db2.gz BLCDAYQRRUXTNJ-XJKSGUPXSA-N -1 3 338.415 2.198 20 30 EEEDHM CN(CC(C)(C)C#N)C(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001604712768 1350990230 /nfs/dbraw/zinc/99/02/30/1350990230.db2.gz KRFPJKBYPUIRKL-AWEZNQCLSA-N -1 3 339.403 2.045 20 30 EEEDHM CN(CC(C)(C)C#N)C(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001604712768 1350990232 /nfs/dbraw/zinc/99/02/32/1350990232.db2.gz KRFPJKBYPUIRKL-AWEZNQCLSA-N -1 3 339.403 2.045 20 30 EEEDHM CN(Cc1cc(C#N)cs1)C(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001604801881 1351009711 /nfs/dbraw/zinc/00/97/11/1351009711.db2.gz VIPVIPJXAYERGT-UHFFFAOYSA-N -1 3 342.359 2.211 20 30 EEEDHM CN(Cc1cc(C#N)cs1)C(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001604801881 1351009715 /nfs/dbraw/zinc/00/97/15/1351009715.db2.gz VIPVIPJXAYERGT-UHFFFAOYSA-N -1 3 342.359 2.211 20 30 EEEDHM COc1cc(CN=Nc2cc(Cl)ccn2)ccc1-c1nn[n-]n1 ZINC001605205958 1351103064 /nfs/dbraw/zinc/10/30/64/1351103064.db2.gz UADDHXVGOQFALK-UHFFFAOYSA-N -1 3 329.751 2.370 20 30 EEEDHM COc1ccc(OC(=O)[C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001605303822 1351130743 /nfs/dbraw/zinc/13/07/43/1351130743.db2.gz XXXWDDDFHKLBMM-AWEZNQCLSA-N -1 3 349.350 2.163 20 30 EEEDHM COc1ccc(OC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001605303822 1351130747 /nfs/dbraw/zinc/13/07/47/1351130747.db2.gz XXXWDDDFHKLBMM-AWEZNQCLSA-N -1 3 349.350 2.163 20 30 EEEDHM Cc1ccc(C(=O)Nc2ccc(F)c(C#N)c2N)cc1-c1nnn[n-]1 ZINC001605823910 1351228706 /nfs/dbraw/zinc/22/87/06/1351228706.db2.gz TUKHEPXKBJCTNB-UHFFFAOYSA-N -1 3 337.318 2.020 20 30 EEEDHM Cc1ccc(C(=O)Nc2ccc(F)c(C#N)c2N)cc1-c1nn[n-]n1 ZINC001605823910 1351228708 /nfs/dbraw/zinc/22/87/08/1351228708.db2.gz TUKHEPXKBJCTNB-UHFFFAOYSA-N -1 3 337.318 2.020 20 30 EEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1C[C@H](C)COCc1ccccc1 ZINC001606024072 1351264190 /nfs/dbraw/zinc/26/41/90/1351264190.db2.gz UEMCNCZYLNGHRH-LBPRGKRZSA-N -1 3 337.387 2.096 20 30 EEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1C[C@H](C)COCc1ccccc1 ZINC001606024072 1351264195 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EEEDHM Cc1cc(CN=Nc2nc3c(cnn3C)c(=O)[n-]2)cc2cccnc12 ZINC000783847193 1371369520 /nfs/dbraw/zinc/36/95/20/1371369520.db2.gz RACQHIDVEVYUCH-UHFFFAOYSA-N -1 3 333.355 2.372 20 30 EEEDHM C[C@H](OC(=O)Cc1ccc([O-])c(F)c1)C(=O)NC1(C#N)CCCCC1 ZINC000838142229 1372826308 /nfs/dbraw/zinc/82/63/08/1372826308.db2.gz WUKQDEOXJJJMNF-LBPRGKRZSA-N -1 3 348.374 2.348 20 30 EEEDHM CC(C)c1c(C(=O)N[C@H]2CCCN([O-])C2=O)cnn1-c1ccccc1 ZINC000848139216 1373086722 /nfs/dbraw/zinc/08/67/22/1373086722.db2.gz YRJQPKBRDMVUDV-HNNXBMFYSA-N -1 3 342.399 2.106 20 30 EEEDHM CCOC(=O)c1nc([C@H](CC(C)C)NCc2cccc(C#N)n2)n[n-]1 ZINC001364984696 1373642910 /nfs/dbraw/zinc/64/29/10/1373642910.db2.gz GQKALEBYORJARL-AWEZNQCLSA-N -1 3 342.403 2.125 20 30 EEEDHM CCOC(=O)c1nnc([C@H](CC(C)C)NCc2cccc(C#N)n2)[n-]1 ZINC001364984696 1373642916 /nfs/dbraw/zinc/64/29/16/1373642916.db2.gz GQKALEBYORJARL-AWEZNQCLSA-N -1 3 342.403 2.125 20 30 EEEDHM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NCc2cccc(C#N)n2)n1 ZINC001364984696 1373642920 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2.372 20 30 EEEDHM Cc1cc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)ncc1C#N ZINC001592008312 1403982298 /nfs/dbraw/zinc/98/22/98/1403982298.db2.gz HJGIFTKCHBXRJI-INIZCTEOSA-N -1 3 347.382 2.020 20 30 EEEDHM Cc1cc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)ncc1C#N ZINC001592008312 1403982303 /nfs/dbraw/zinc/98/23/03/1403982303.db2.gz HJGIFTKCHBXRJI-INIZCTEOSA-N -1 3 347.382 2.020 20 30 EEEDHM N#CCC1CN(c2nc3c(c(C#N)c2-c2nnn[n-]2)CCCCCC3)C1 ZINC001592673736 1404710408 /nfs/dbraw/zinc/71/04/08/1404710408.db2.gz MDZRGFHUKWUOBS-UHFFFAOYSA-N -1 3 348.414 2.142 20 30 EEEDHM N#CCC1CN(c2nc3c(c(C#N)c2-c2nn[n-]n2)CCCCCC3)C1 ZINC001592673736 1404710412 /nfs/dbraw/zinc/71/04/12/1404710412.db2.gz MDZRGFHUKWUOBS-UHFFFAOYSA-N -1 3 348.414 2.142 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCS[C@H](C(F)(F)F)C1 ZINC001592699243 1404717311 /nfs/dbraw/zinc/71/73/11/1404717311.db2.gz SWXKBQBBFMNFEM-JTQLQIEISA-N -1 3 340.334 2.222 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCS[C@H](C(F)(F)F)C1 ZINC001592699243 1404717314 /nfs/dbraw/zinc/71/73/14/1404717314.db2.gz SWXKBQBBFMNFEM-JTQLQIEISA-N -1 3 340.334 2.222 20 30 EEEDHM N#Cc1ccc(F)c(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001606368884 1404804022 /nfs/dbraw/zinc/80/40/22/1404804022.db2.gz JXWPRBCWMAIEBX-UHFFFAOYSA-N -1 3 336.330 2.449 20 30 EEEDHM N#Cc1ccc(F)c(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001606368884 1404804025 /nfs/dbraw/zinc/80/40/25/1404804025.db2.gz JXWPRBCWMAIEBX-UHFFFAOYSA-N -1 3 336.330 2.449 20 30 EEEDHM CCc1nc(C#N)cc(NC[C@H](C)N(C)C(=O)c2ccccc2[O-])n1 ZINC001104472118 761006851 /nfs/dbraw/zinc/00/68/51/761006851.db2.gz MABGEKRYSHUFPK-LBPRGKRZSA-N -1 3 339.399 2.189 20 30 EEEDHM N#Cc1cc(CN2CC[C@H]2CNC(=O)c2ccccc2[O-])ccc1F ZINC001038070068 773456730 /nfs/dbraw/zinc/45/67/30/773456730.db2.gz CRJKPSXDUWRMCQ-HNNXBMFYSA-N -1 3 339.370 2.407 20 30 EEEDHM C[C@@H](Sc1ccccc1Cl)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816756703 784242952 /nfs/dbraw/zinc/24/29/52/784242952.db2.gz CNQCWPWTPXKRPP-MWLCHTKSSA-N -1 3 328.821 2.317 20 30 EEEDHM O=C(COc1ccc(Cl)c2ccccc12)N[C@@H]1CCCN([O-])C1=O ZINC000816757672 784243618 /nfs/dbraw/zinc/24/36/18/784243618.db2.gz YUJREEYTXOITOW-CQSZACIVSA-N -1 3 348.786 2.368 20 30 EEEDHM CC(C)(C)CN(CCC#N)C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819913934 785715591 /nfs/dbraw/zinc/71/55/91/785715591.db2.gz HZLPAQJBENQZIU-OAHLLOKOSA-N -1 3 328.420 2.162 20 30 EEEDHM C=CCN1CCC(NC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)CC1 ZINC000908945978 785868894 /nfs/dbraw/zinc/86/88/94/785868894.db2.gz NQUQCWPABYMMMY-QGZVFWFLSA-N -1 3 345.443 2.379 20 30 EEEDHM N#Cc1nccnc1NC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001060204123 785877340 /nfs/dbraw/zinc/87/73/40/785877340.db2.gz SVSCFLAWARULAL-CYBMUJFWSA-N -1 3 337.383 2.161 20 30 EEEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc2ccccc2c2cccnc12 ZINC000820476370 785938378 /nfs/dbraw/zinc/93/83/78/785938378.db2.gz KVMIEMXOIMGQIJ-MRXNPFEDSA-N -1 3 335.363 2.498 20 30 EEEDHM C#CCN1CCC(C(=O)Nc2ccc(C(=O)[O-])cc2OCC)CC1 ZINC000910621452 786931088 /nfs/dbraw/zinc/93/10/88/786931088.db2.gz LHKSDDAIWHPXKC-UHFFFAOYSA-N -1 3 330.384 2.067 20 30 EEEDHM C=C1CC(C)(C(=O)NC/C=C/CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001107508668 787482318 /nfs/dbraw/zinc/48/23/18/787482318.db2.gz NGCIWVIICBKRKT-ONEGZZNKSA-N -1 3 332.360 2.136 20 30 EEEDHM N#Cc1nccnc1NCC1(CCNC(=O)c2ccccc2[O-])CC1 ZINC001089896887 788002224 /nfs/dbraw/zinc/00/22/24/788002224.db2.gz BNRHQMWJGBTKTO-UHFFFAOYSA-N -1 3 337.383 2.066 20 30 EEEDHM CCN(C(=O)c1ccccc1[O-])[C@@H]1CCN(c2ncccc2C#N)C1 ZINC001063079301 790183806 /nfs/dbraw/zinc/18/38/06/790183806.db2.gz UPLIVVTWEOHWHQ-OAHLLOKOSA-N -1 3 336.395 2.400 20 30 EEEDHM C[C@H]1CN(C(=O)c2ccccc2[O-])CC[C@H]1Nc1cnc(C#N)cn1 ZINC001063684306 791503704 /nfs/dbraw/zinc/50/37/04/791503704.db2.gz QIZHCDBWCAZVQB-SWLSCSKDSA-N -1 3 337.383 2.017 20 30 EEEDHM C=CCC1(C(=O)N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CCC1 ZINC001093193620 794813551 /nfs/dbraw/zinc/81/35/51/794813551.db2.gz RRDKUSWUALEFJT-UHFFFAOYSA-N -1 3 346.387 2.090 20 30 EEEDHM N#Cc1c(C#N)c([N-]c2nccnc2CN)nc2c1CCCCCC2 ZINC001171450603 796538489 /nfs/dbraw/zinc/53/84/89/796538489.db2.gz VOQGTCSHYAJZEL-UHFFFAOYSA-N -1 3 333.399 2.476 20 30 EEEDHM N#Cc1ccc(NCCCNC(=O)c2c[n-]c3ccccc3c2=O)nc1 ZINC001094883488 796911415 /nfs/dbraw/zinc/91/14/15/796911415.db2.gz BSGWVKJKOBXFRT-UHFFFAOYSA-N -1 3 347.378 2.027 20 30 EEEDHM N#Cc1cncc(N[C@H]2CCC[C@H](NC(=O)c3ccccc3[O-])C2)n1 ZINC001061047850 797533244 /nfs/dbraw/zinc/53/32/44/797533244.db2.gz MLBJDSYYGVUHCW-STQMWFEESA-N -1 3 337.383 2.207 20 30 EEEDHM C#CCCCCC(=O)N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095224224 797540345 /nfs/dbraw/zinc/54/03/45/797540345.db2.gz SIKRWHFJNLLBEP-UHFFFAOYSA-N -1 3 346.387 2.292 20 30 EEEDHM C[C@@H](Nc1ccncc1C#N)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001065657702 799300087 /nfs/dbraw/zinc/30/00/87/799300087.db2.gz VAYPXCVTVRFCDB-KGLIPLIRSA-N -1 3 336.395 2.043 20 30 EEEDHM C[C@H](Nc1ccc(C#N)nn1)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001065657920 799300731 /nfs/dbraw/zinc/30/07/31/799300731.db2.gz WPTGBWPLSQRKMO-QWHCGFSZSA-N -1 3 337.383 2.017 20 30 EEEDHM C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001109055253 804893203 /nfs/dbraw/zinc/89/32/03/804893203.db2.gz VKEHCFSCLSQNQL-PMPSAXMXSA-N -1 3 342.443 2.247 20 30 EEEDHM Cc1nc(N[C@@H](C)[C@@H](C)NC(=O)c2cccc3n[n-]nc32)ccc1C#N ZINC001113194914 808392613 /nfs/dbraw/zinc/39/26/13/808392613.db2.gz XNEWYQWMFXUJQL-WDEREUQCSA-N -1 3 349.398 2.152 20 30 EEEDHM C=CCC[C@H](C)N1CCN(C(=O)c2n[n-]c3ccccc3c2=O)CC1 ZINC001113392388 808878975 /nfs/dbraw/zinc/87/89/75/808878975.db2.gz BJVRIMGTGYSXQC-AWEZNQCLSA-N -1 3 340.427 2.448 20 30 EEEDHM C=CCC[C@@H](C)N1CCN(C(=O)c2n[n-]c3ccccc3c2=O)CC1 ZINC001113392389 808879311 /nfs/dbraw/zinc/87/93/11/808879311.db2.gz BJVRIMGTGYSXQC-CQSZACIVSA-N -1 3 340.427 2.448 20 30 EEEDHM COc1cccc2c(C(=O)OCC(=O)c3cccc(C#N)c3)n[n-]c21 ZINC000808673587 812806469 /nfs/dbraw/zinc/80/64/69/812806469.db2.gz FVMKFAGLFDZYIU-UHFFFAOYSA-N -1 3 335.319 2.483 20 30 EEEDHM COc1cccc2c(C(=O)OCC(=O)c3cccc(C#N)c3)[n-]nc21 ZINC000808673587 812806475 /nfs/dbraw/zinc/80/64/75/812806475.db2.gz FVMKFAGLFDZYIU-UHFFFAOYSA-N -1 3 335.319 2.483 20 30 EEEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cnn(CCF)c1 ZINC000808979381 812922902 /nfs/dbraw/zinc/92/29/02/812922902.db2.gz IIJCBRKXCDKKII-CYBMUJFWSA-N -1 3 334.738 2.467 20 30 EEEDHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1cc(C#N)oc1C ZINC001573550525 946861793 /nfs/dbraw/zinc/86/17/93/946861793.db2.gz AMQZXIYBTSLWSX-UHFFFAOYSA-N -1 3 336.311 2.095 20 30 EEEDHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1cc(C#N)oc1C ZINC001573550525 946861807 /nfs/dbraw/zinc/86/18/07/946861807.db2.gz AMQZXIYBTSLWSX-UHFFFAOYSA-N -1 3 336.311 2.095 20 30 EEEDHM C=C(C)CCC(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)[C@@H]1C ZINC001573299047 947086326 /nfs/dbraw/zinc/08/63/26/947086326.db2.gz HLSPESDRHOPONF-GXTWGEPZSA-N -1 3 341.419 2.019 20 30 EEEDHM C=C(C)CCC(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)[C@@H]1C ZINC001573299047 947086341 /nfs/dbraw/zinc/08/63/41/947086341.db2.gz HLSPESDRHOPONF-GXTWGEPZSA-N -1 3 341.419 2.019 20 30 EEEDHM C=CCCC(=O)N[C@H](C)[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001573327841 947397678 /nfs/dbraw/zinc/39/76/78/947397678.db2.gz LTFNFRFMPZVYRZ-GHMZBOCLSA-N -1 3 332.383 2.277 20 30 EEEDHM C=CCCC(=O)N[C@H](C)[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001573327841 947397690 /nfs/dbraw/zinc/39/76/90/947397690.db2.gz LTFNFRFMPZVYRZ-GHMZBOCLSA-N -1 3 332.383 2.277 20 30 EEEDHM C=CCCC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573328060 947401523 /nfs/dbraw/zinc/40/15/23/947401523.db2.gz QRDJFFIPHGKSJK-ZIAGYGMSSA-N -1 3 341.419 2.067 20 30 EEEDHM C=CCCC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573328060 947401531 /nfs/dbraw/zinc/40/15/31/947401531.db2.gz QRDJFFIPHGKSJK-ZIAGYGMSSA-N -1 3 341.419 2.067 20 30 EEEDHM C=CCCCC(=O)N[C@@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573334910 947467189 /nfs/dbraw/zinc/46/71/89/947467189.db2.gz JKGATJQIWHFUFM-NSHDSACASA-N -1 3 332.383 2.279 20 30 EEEDHM C=CCCCC(=O)N[C@@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001573334910 947467193 /nfs/dbraw/zinc/46/71/93/947467193.db2.gz JKGATJQIWHFUFM-NSHDSACASA-N -1 3 332.383 2.279 20 30 EEEDHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001602974451 971984106 /nfs/dbraw/zinc/98/41/06/971984106.db2.gz ITPNPUBTNIVYMD-VQIMIIECSA-N -1 3 345.443 2.264 20 30 EEEDHM N#CC(C(=O)Cc1ccccc1C(=O)[O-])C(=O)NC1CCCCC1 ZINC001594601023 956128788 /nfs/dbraw/zinc/12/87/88/956128788.db2.gz IUBMMHGGVYPZRS-HNNXBMFYSA-N -1 3 328.368 2.085 20 30 EEEDHM CCN(CC)[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccsc1 ZINC001603733199 974172263 /nfs/dbraw/zinc/17/22/63/974172263.db2.gz RRZICVAORKWEQB-BBRMVZONSA-N -1 3 337.445 2.252 20 30 EEEDHM CC(=O)NCc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC001589146156 985463508 /nfs/dbraw/zinc/46/35/08/985463508.db2.gz WNJJPIDCNBFYAF-GOSISDBHSA-N -1 3 337.379 2.110 20 30 EEEDHM COC(=O)[C@@H]1CCCC[C@]1(C)NCc1cccc(C(=O)[O-])c1C#N ZINC001598788803 996053731 /nfs/dbraw/zinc/05/37/31/996053731.db2.gz SAYJNVAAQSNONI-YJBOKZPZSA-N -1 3 330.384 2.468 20 30 EEEDHM COc1ccc(CN2CC[C@H](C(=O)[O-])C[C@@H]2[C@@H]2CCCO2)cc1C#N ZINC001599564180 998255083 /nfs/dbraw/zinc/25/50/83/998255083.db2.gz UNHLUKGYDFVVJM-LESCRADOSA-N -1 3 344.411 2.411 20 30 EEEDHM C[C@@H](CN(C)C(=O)c1ncccc1[O-])NCc1cc(C#N)ccc1F ZINC001507067360 1115091195 /nfs/dbraw/zinc/09/11/95/1115091195.db2.gz AOZAHHYQJIOZHI-LBPRGKRZSA-N -1 3 342.374 2.048 20 30 EEEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1C[C@@H](C)O[C@@H](CC)C1 ZINC001515689905 1118982196 /nfs/dbraw/zinc/98/21/96/1118982196.db2.gz DLUMLLVZEZEPMH-NEPJUHHUSA-N -1 3 333.392 2.219 20 30 EEEDHM C[C@@H](C#N)C(=O)NC[C@@H](NC(=O)c1ccccc1[O-])C1CCCCC1 ZINC001532519190 1122780522 /nfs/dbraw/zinc/78/05/22/1122780522.db2.gz JMQMSRWXBLPFAB-XJKSGUPXSA-N -1 3 343.427 2.347 20 30 EEEDHM N#CCNC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000101516792 237067249 /nfs/dbraw/zinc/06/72/49/237067249.db2.gz QBIZBXDVFXXUQL-UHFFFAOYSA-N -1 3 341.458 2.003 20 30 EEEDHM Cc1nc(C)c(CCC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000113175885 237166417 /nfs/dbraw/zinc/16/64/17/237166417.db2.gz LRJFSDWRYAOQFS-HNNXBMFYSA-N -1 3 344.802 2.354 20 30 EEEDHM Cc1cc(C/N=C/c2ccc(O)c([O-])c2O)nc(N2CCCC2)n1 ZINC000291872019 238179574 /nfs/dbraw/zinc/17/95/74/238179574.db2.gz KAOGTAMAHWEGGC-GIJQJNRQSA-N -1 3 328.372 2.121 20 30 EEEDHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000119148923 292241787 /nfs/dbraw/zinc/24/17/87/292241787.db2.gz LXJZLDGUJVVRID-ZDUSSCGKSA-N -1 3 330.837 2.287 20 30 EEEDHM CCc1nc(C)c(C(=O)[N-]c2ncn(Cc3ccc(C#N)cc3)n2)o1 ZINC000342207755 161047520 /nfs/dbraw/zinc/04/75/20/161047520.db2.gz MACVWOLEMOLPMN-UHFFFAOYSA-N -1 3 336.355 2.309 20 30 EEEDHM N#Cc1cccc(-n2ccc(C(=O)Nc3nnc(-c4ccco4)[n-]3)n2)c1 ZINC000342673455 161082172 /nfs/dbraw/zinc/08/21/72/161082172.db2.gz MLIILDGYVWNYDG-UHFFFAOYSA-N -1 3 345.322 2.374 20 30 EEEDHM N#Cc1cccc(-n2ccc(C(=O)Nc3nc(-c4ccco4)n[n-]3)n2)c1 ZINC000342673455 161082173 /nfs/dbraw/zinc/08/21/73/161082173.db2.gz MLIILDGYVWNYDG-UHFFFAOYSA-N -1 3 345.322 2.374 20 30 EEEDHM 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/nfs/dbraw/zinc/89/59/96/1348895996.db2.gz WHCFPLJPRLKFFO-HOMQSWHASA-N -1 3 331.326 2.067 20 30 EEEDHM C#C[C@H]1CC[C@H](NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC001588365508 1348896002 /nfs/dbraw/zinc/89/60/02/1348896002.db2.gz WHCFPLJPRLKFFO-HOMQSWHASA-N -1 3 331.326 2.067 20 30 EEEDHM C=C(C)C[C@@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588404020 1348900866 /nfs/dbraw/zinc/90/08/66/1348900866.db2.gz CEFCVIQICKYXIV-SNVBAGLBSA-N -1 3 331.332 2.420 20 30 EEEDHM C=C(C)C[C@@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588404020 1348900869 /nfs/dbraw/zinc/90/08/69/1348900869.db2.gz CEFCVIQICKYXIV-SNVBAGLBSA-N -1 3 331.332 2.420 20 30 EEEDHM C=C(C)CCC(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588411773 1348902165 /nfs/dbraw/zinc/90/21/65/1348902165.db2.gz JMYLTEAXVRRXLY-AWEZNQCLSA-N -1 3 341.419 2.021 20 30 EEEDHM C=C(C)CCC(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588411773 1348902173 /nfs/dbraw/zinc/90/21/73/1348902173.db2.gz JMYLTEAXVRRXLY-AWEZNQCLSA-N -1 3 341.419 2.021 20 30 EEEDHM C=C(Cl)CNC(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588448870 1348906350 /nfs/dbraw/zinc/90/63/50/1348906350.db2.gz ANRZTCISJCBSHM-ZDUSSCGKSA-N -1 3 332.795 2.296 20 30 EEEDHM C=C(Cl)CNC(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588448870 1348906352 /nfs/dbraw/zinc/90/63/52/1348906352.db2.gz ANRZTCISJCBSHM-ZDUSSCGKSA-N -1 3 332.795 2.296 20 30 EEEDHM C=CCC(C)(C)C(=O)NCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588538156 1348914413 /nfs/dbraw/zinc/91/44/13/1348914413.db2.gz JQERDPLDTSQKQB-GFCCVEGCSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCC(C)(C)C(=O)NCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588538156 1348914416 /nfs/dbraw/zinc/91/44/16/1348914416.db2.gz JQERDPLDTSQKQB-GFCCVEGCSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCC1(C(=O)Nc2ccc(-c3nnn[n-]3)cc2OC)CCOCC1 ZINC001588556096 1348915888 /nfs/dbraw/zinc/91/58/88/1348915888.db2.gz CSDKIJZUWZCFLP-UHFFFAOYSA-N -1 3 343.387 2.187 20 30 EEEDHM C=CCC1(C(=O)Nc2ccc(-c3nn[n-]n3)cc2OC)CCOCC1 ZINC001588556096 1348915890 /nfs/dbraw/zinc/91/58/90/1348915890.db2.gz CSDKIJZUWZCFLP-UHFFFAOYSA-N -1 3 343.387 2.187 20 30 EEEDHM C=CC[C@H]1CCN1C(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001588564605 1348918317 /nfs/dbraw/zinc/91/83/17/1348918317.db2.gz PTLQARLDXGIEKT-VIFPVBQESA-N -1 3 348.204 2.420 20 30 EEEDHM C=CC[C@H]1CCN1C(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001588564605 1348918321 /nfs/dbraw/zinc/91/83/21/1348918321.db2.gz PTLQARLDXGIEKT-VIFPVBQESA-N -1 3 348.204 2.420 20 30 EEEDHM C=CCCCC(=O)NCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588590155 1348921739 /nfs/dbraw/zinc/92/17/39/1348921739.db2.gz AIPRUPHANWPDGX-GFCCVEGCSA-N -1 3 343.435 2.233 20 30 EEEDHM C=CCCCC(=O)NCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588590155 1348921741 /nfs/dbraw/zinc/92/17/41/1348921741.db2.gz AIPRUPHANWPDGX-GFCCVEGCSA-N -1 3 343.435 2.233 20 30 EEEDHM C=CCCCCCN(c1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC001588594016 1348922205 /nfs/dbraw/zinc/92/22/05/1348922205.db2.gz ODNIULXBBMKYIY-UHFFFAOYSA-N -1 3 335.433 2.379 20 30 EEEDHM C=CCCn1cc(COc2ccc(-c3nn[n-]n3)cc2CC)nn1 ZINC001588626000 1348924039 /nfs/dbraw/zinc/92/40/39/1348924039.db2.gz RBUUWDCGFQPGTF-UHFFFAOYSA-N -1 3 325.376 2.176 20 30 EEEDHM C=CCN(CC=C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC=C ZINC001588631490 1348924373 /nfs/dbraw/zinc/92/43/73/1348924373.db2.gz FUNUDGYFMFPQTO-UHFFFAOYSA-N -1 3 348.414 2.490 20 30 EEEDHM C=CCN(CC=C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC=C ZINC001588631490 1348924376 /nfs/dbraw/zinc/92/43/76/1348924376.db2.gz FUNUDGYFMFPQTO-UHFFFAOYSA-N -1 3 348.414 2.490 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@H](C)O[C@@H]1C ZINC001588640016 1348926411 /nfs/dbraw/zinc/92/64/11/1348926411.db2.gz YZCXYJVTJIFOON-WOSRLPQWSA-N -1 3 341.415 2.195 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@H](C)O[C@@H]1C ZINC001588640016 1348926414 /nfs/dbraw/zinc/92/64/14/1348926414.db2.gz YZCXYJVTJIFOON-WOSRLPQWSA-N -1 3 341.415 2.195 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@H]1CCCO1 ZINC001588648872 1348927501 /nfs/dbraw/zinc/92/75/01/1348927501.db2.gz CARDFPZWXFFMHD-OAHLLOKOSA-N -1 3 343.387 2.170 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@H]1CCCO1 ZINC001588648872 1348927503 /nfs/dbraw/zinc/92/75/03/1348927503.db2.gz CARDFPZWXFFMHD-OAHLLOKOSA-N -1 3 343.387 2.170 20 30 EEEDHM C=CCn1c(Cc2ccc(-c3nnn[n-]3)cc2)nnc1N1CC=CCC1 ZINC001588703872 1348929868 /nfs/dbraw/zinc/92/98/68/1348929868.db2.gz VHOYPXADGWJHPB-UHFFFAOYSA-N -1 3 348.414 2.001 20 30 EEEDHM C=CCn1c(Cc2ccc(-c3nn[n-]n3)cc2)nnc1N1CC=CCC1 ZINC001588703872 1348929870 /nfs/dbraw/zinc/92/98/70/1348929870.db2.gz VHOYPXADGWJHPB-UHFFFAOYSA-N -1 3 348.414 2.001 20 30 EEEDHM CC#CC(=O)Nc1cnc(Oc2ccccc2-c2nnn[n-]2)cc1C ZINC001588738172 1348931385 /nfs/dbraw/zinc/93/13/85/1348931385.db2.gz LUQHXFOEJRMYJY-UHFFFAOYSA-N -1 3 334.339 2.324 20 30 EEEDHM CC#CC(=O)Nc1cnc(Oc2ccccc2-c2nn[n-]n2)cc1C ZINC001588738172 1348931391 /nfs/dbraw/zinc/93/13/91/1348931391.db2.gz LUQHXFOEJRMYJY-UHFFFAOYSA-N -1 3 334.339 2.324 20 30 EEEDHM CC#CCCOC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001588746457 1348931925 /nfs/dbraw/zinc/93/19/25/1348931925.db2.gz RTGPWEWEWJCPPU-UHFFFAOYSA-N -1 3 328.372 2.372 20 30 EEEDHM CC#CCCOC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001588746457 1348931927 /nfs/dbraw/zinc/93/19/27/1348931927.db2.gz RTGPWEWEWJCPPU-UHFFFAOYSA-N -1 3 328.372 2.372 20 30 EEEDHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1ccc(C#N)s1 ZINC001588893246 1348941832 /nfs/dbraw/zinc/94/18/32/1348941832.db2.gz DCSUHQVBXKPRMH-UHFFFAOYSA-N -1 3 338.352 2.255 20 30 EEEDHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1ccc(C#N)s1 ZINC001588893246 1348941834 /nfs/dbraw/zinc/94/18/34/1348941834.db2.gz DCSUHQVBXKPRMH-UHFFFAOYSA-N -1 3 338.352 2.255 20 30 EEEDHM CC(C)(C#N)CCCCOC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001589034232 1348954069 /nfs/dbraw/zinc/95/40/69/1348954069.db2.gz UNYPANJAHHFXMB-CQSZACIVSA-N -1 3 343.387 2.163 20 30 EEEDHM CC(C)(C#N)CCCCOC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001589034232 1348954071 /nfs/dbraw/zinc/95/40/71/1348954071.db2.gz UNYPANJAHHFXMB-CQSZACIVSA-N -1 3 343.387 2.163 20 30 EEEDHM C[C@@H](CC#N)N(C)C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001589787607 1349043523 /nfs/dbraw/zinc/04/35/23/1349043523.db2.gz LWGCJHUYQQXEJJ-ZDUSSCGKSA-N -1 3 338.415 2.439 20 30 EEEDHM C[C@@H](CC#N)N(C)C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001589787607 1349043528 /nfs/dbraw/zinc/04/35/28/1349043528.db2.gz LWGCJHUYQQXEJJ-ZDUSSCGKSA-N -1 3 338.415 2.439 20 30 EEEDHM C[C@](O)(CNc1c(C#N)cccc1-c1nnn[n-]1)C1CCCCC1 ZINC001589991882 1349098097 /nfs/dbraw/zinc/09/80/97/1349098097.db2.gz TZCZZVAEHMYUJX-KRWDZBQOSA-N -1 3 326.404 2.482 20 30 EEEDHM C[C@](O)(CNc1c(C#N)cccc1-c1nn[n-]n1)C1CCCCC1 ZINC001589991882 1349098101 /nfs/dbraw/zinc/09/81/01/1349098101.db2.gz TZCZZVAEHMYUJX-KRWDZBQOSA-N -1 3 326.404 2.482 20 30 EEEDHM CCC(CC)CN(CCC#N)C(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001590433699 1349323263 /nfs/dbraw/zinc/32/32/63/1349323263.db2.gz IZCLSFSTLJBXMY-UHFFFAOYSA-N -1 3 327.392 2.054 20 30 EEEDHM CCC(CC)CN(CCC#N)C(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001590433699 1349323270 /nfs/dbraw/zinc/32/32/70/1349323270.db2.gz IZCLSFSTLJBXMY-UHFFFAOYSA-N -1 3 327.392 2.054 20 30 EEEDHM CCCn1nc(C)c(C=CC(=O)c2cc(-c3nnn[n-]3)ccn2)c1C ZINC001590664552 1349384533 /nfs/dbraw/zinc/38/45/33/1349384533.db2.gz YUSJWTKUZNYINO-AATRIKPKSA-N -1 3 337.387 2.381 20 30 EEEDHM CCCn1nc(C)c(C=CC(=O)c2cc(-c3nn[n-]n3)ccn2)c1C ZINC001590664552 1349384538 /nfs/dbraw/zinc/38/45/38/1349384538.db2.gz YUSJWTKUZNYINO-AATRIKPKSA-N -1 3 337.387 2.381 20 30 EEEDHM C[C@@H]1CC=CC[C@H]1NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591732051 1349536389 /nfs/dbraw/zinc/53/63/89/1349536389.db2.gz CUWIOXQMXHIMTQ-DAXOMENPSA-N -1 3 336.399 2.020 20 30 EEEDHM Cc1cc(C#N)cc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC001591906381 1349555128 /nfs/dbraw/zinc/55/51/28/1349555128.db2.gz FTLSILADEIMZIX-UHFFFAOYSA-N -1 3 339.746 2.348 20 30 EEEDHM Cc1cc(C#N)cc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC001591906381 1349555142 /nfs/dbraw/zinc/55/51/42/1349555142.db2.gz FTLSILADEIMZIX-UHFFFAOYSA-N -1 3 339.746 2.348 20 30 EEEDHM N#Cc1ccc(OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1F ZINC001592695948 1349707925 /nfs/dbraw/zinc/70/79/25/1349707925.db2.gz VEXSXUGLKNTSKA-UHFFFAOYSA-N -1 3 340.274 2.365 20 30 EEEDHM N#Cc1ccc(OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1F ZINC001592695948 1349707927 /nfs/dbraw/zinc/70/79/27/1349707927.db2.gz VEXSXUGLKNTSKA-UHFFFAOYSA-N -1 3 340.274 2.365 20 30 EEEDHM C#CC1(NC(=O)Nc2cc(OC)c(-c3nnn[n-]3)cc2F)CCCC1 ZINC001602690466 1350573639 /nfs/dbraw/zinc/57/36/39/1350573639.db2.gz CTOGYKDMZUHDQU-UHFFFAOYSA-N -1 3 344.350 2.082 20 30 EEEDHM C#CC1(NC(=O)Nc2cc(OC)c(-c3nn[n-]n3)cc2F)CCCC1 ZINC001602690466 1350573644 /nfs/dbraw/zinc/57/36/44/1350573644.db2.gz CTOGYKDMZUHDQU-UHFFFAOYSA-N -1 3 344.350 2.082 20 30 EEEDHM C#C[C@@H](Nc1cc(Br)ccc1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC001602690280 1350573968 /nfs/dbraw/zinc/57/39/68/1350573968.db2.gz AKCOCQIWSTVSBI-YPMHNXCESA-N -1 3 348.204 2.222 20 30 EEEDHM C#C[C@@H](Nc1cc(Br)ccc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001602690280 1350573969 /nfs/dbraw/zinc/57/39/69/1350573969.db2.gz AKCOCQIWSTVSBI-YPMHNXCESA-N -1 3 348.204 2.222 20 30 EEEDHM C=C(C)CCC(=O)N(C)[C@@H](C)CNc1snc(C)c1-c1nnn[n-]1 ZINC001602756701 1350583037 /nfs/dbraw/zinc/58/30/37/1350583037.db2.gz VWGNJOLFKOWLGI-JTQLQIEISA-N -1 3 349.464 2.247 20 30 EEEDHM C=C[C@](C)(O)CC(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001602792335 1350586817 /nfs/dbraw/zinc/58/68/17/1350586817.db2.gz FMSKEBBKYQLTRN-KRWDZBQOSA-N -1 3 345.403 2.310 20 30 EEEDHM C=C[C@](C)(O)CC(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001602792335 1350586820 /nfs/dbraw/zinc/58/68/20/1350586820.db2.gz FMSKEBBKYQLTRN-KRWDZBQOSA-N -1 3 345.403 2.310 20 30 EEEDHM C=C[C@@H](CC)CC(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001602801103 1350588030 /nfs/dbraw/zinc/58/80/30/1350588030.db2.gz RIPGINAGRCLXFO-YPMHNXCESA-N -1 3 343.435 2.089 20 30 EEEDHM C=C[C@@H](CC)CC(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001602801103 1350588032 /nfs/dbraw/zinc/58/80/32/1350588032.db2.gz RIPGINAGRCLXFO-YPMHNXCESA-N -1 3 343.435 2.089 20 30 EEEDHM C=CC[C@H]1CCN1C(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001602822977 1350591164 /nfs/dbraw/zinc/59/11/64/1350591164.db2.gz GZTNVLNRUPWDTR-XJKSGUPXSA-N -1 3 341.415 2.447 20 30 EEEDHM C=CC[C@H]1CCN1C(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001602822977 1350591166 /nfs/dbraw/zinc/59/11/66/1350591166.db2.gz GZTNVLNRUPWDTR-XJKSGUPXSA-N -1 3 341.415 2.447 20 30 EEEDHM C=CCCC(=O)NCC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001602827513 1350592505 /nfs/dbraw/zinc/59/25/05/1350592505.db2.gz ZGIVGYKUEXJIRJ-SNVBAGLBSA-N -1 3 349.826 2.188 20 30 EEEDHM C=CCCC(=O)NCC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001602827513 1350592509 /nfs/dbraw/zinc/59/25/09/1350592509.db2.gz ZGIVGYKUEXJIRJ-SNVBAGLBSA-N -1 3 349.826 2.188 20 30 EEEDHM C=CC[C@@H](C(=O)[O-])N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1 ZINC001602834794 1350593753 /nfs/dbraw/zinc/59/37/53/1350593753.db2.gz CTEDQGSYTTZINX-LBPRGKRZSA-N -1 3 348.365 2.425 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cc(C#N)ccn1 ZINC001602859830 1350597743 /nfs/dbraw/zinc/59/77/43/1350597743.db2.gz MJWVRODVPLRIRO-UHFFFAOYSA-N -1 3 331.383 2.322 20 30 EEEDHM C=CCOCCOC(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001602870059 1350598847 /nfs/dbraw/zinc/59/88/47/1350598847.db2.gz HZMKNMJFLNRRBJ-UHFFFAOYSA-N -1 3 334.351 2.029 20 30 EEEDHM C=CCOCCOC(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001602870059 1350598850 /nfs/dbraw/zinc/59/88/50/1350598850.db2.gz HZMKNMJFLNRRBJ-UHFFFAOYSA-N -1 3 334.351 2.029 20 30 EEEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001602908418 1350603567 /nfs/dbraw/zinc/60/35/67/1350603567.db2.gz WUMIGPRCMYUKSH-UHFFFAOYSA-N -1 3 334.343 2.285 20 30 EEEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001602908418 1350603571 /nfs/dbraw/zinc/60/35/71/1350603571.db2.gz WUMIGPRCMYUKSH-UHFFFAOYSA-N -1 3 334.343 2.285 20 30 EEEDHM CC(C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001603257630 1350673350 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/nfs/dbraw/zinc/42/60/01/1333426001.db2.gz IDBSCYUXEBTNRU-UHFFFAOYSA-N -1 3 343.195 2.134 20 30 EEEDHM CC(Cn1nc(C)cc1C)=NOCc1ccccc1-c1nnn[n-]1 ZINC001609116353 1351850162 /nfs/dbraw/zinc/85/01/62/1351850162.db2.gz IWLZPFSRVWFTBB-UHFFFAOYSA-N -1 3 325.376 2.273 20 30 EEEDHM CC(Cn1nc(C)cc1C)=NOCc1ccccc1-c1nn[n-]n1 ZINC001609116353 1351850168 /nfs/dbraw/zinc/85/01/68/1351850168.db2.gz IWLZPFSRVWFTBB-UHFFFAOYSA-N -1 3 325.376 2.273 20 30 EEEDHM C[C@@H](C#N)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001324437999 1333682759 /nfs/dbraw/zinc/68/27/59/1333682759.db2.gz IQKNCMXHPAZQMW-LURJTMIESA-N -1 3 327.715 2.192 20 30 EEEDHM CCc1nnc(N[C@H]2CC[C@@H](CC#N)C2)c(-c2nnn[n-]2)c1CC ZINC001609255929 1351912717 /nfs/dbraw/zinc/91/27/17/1351912717.db2.gz RHCWDBSNRGVBLC-QWRGUYRKSA-N -1 3 326.408 2.276 20 30 EEEDHM CCc1nnc(N[C@H]2CC[C@@H](CC#N)C2)c(-c2nn[n-]n2)c1CC ZINC001609255929 1351912720 /nfs/dbraw/zinc/91/27/20/1351912720.db2.gz RHCWDBSNRGVBLC-QWRGUYRKSA-N -1 3 326.408 2.276 20 30 EEEDHM Cc1c(C(=O)NCc2ccc(C#N)cc2F)cccc1-c1nnn[n-]1 ZINC001609380539 1351952011 /nfs/dbraw/zinc/95/20/11/1351952011.db2.gz BYXHRHTVEQGLHK-UHFFFAOYSA-N -1 3 336.330 2.116 20 30 EEEDHM Cc1c(C(=O)NCc2ccc(C#N)cc2F)cccc1-c1nn[n-]n1 ZINC001609380539 1351952013 /nfs/dbraw/zinc/95/20/13/1351952013.db2.gz BYXHRHTVEQGLHK-UHFFFAOYSA-N -1 3 336.330 2.116 20 30 EEEDHM Cc1nc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)ccc1-c1nnn[n-]1 ZINC001609448490 1351981221 /nfs/dbraw/zinc/98/12/21/1351981221.db2.gz IUOKHAPENDFXQT-NSHDSACASA-N -1 3 334.339 2.360 20 30 EEEDHM Cc1nc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)ccc1-c1nn[n-]n1 ZINC001609448490 1351981223 /nfs/dbraw/zinc/98/12/23/1351981223.db2.gz IUOKHAPENDFXQT-NSHDSACASA-N -1 3 334.339 2.360 20 30 EEEDHM N#Cc1cccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001609500157 1351999838 /nfs/dbraw/zinc/99/98/38/1351999838.db2.gz FBZRJEJAXWMBDX-UHFFFAOYSA-N -1 3 337.318 2.199 20 30 EEEDHM N#Cc1cccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001609500157 1351999840 /nfs/dbraw/zinc/99/98/40/1351999840.db2.gz FBZRJEJAXWMBDX-UHFFFAOYSA-N -1 3 337.318 2.199 20 30 EEEDHM OC[C@@H](NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12)c1ccccc1 ZINC001609608565 1352035845 /nfs/dbraw/zinc/03/58/45/1352035845.db2.gz OZHKBNOYYYKVPB-QGZVFWFLSA-N -1 3 347.382 2.005 20 30 EEEDHM OC[C@@H](NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12)c1ccccc1 ZINC001609608565 1352035851 /nfs/dbraw/zinc/03/58/51/1352035851.db2.gz OZHKBNOYYYKVPB-QGZVFWFLSA-N -1 3 347.382 2.005 20 30 EEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H](COCC)C1 ZINC001340500251 1337197885 /nfs/dbraw/zinc/19/78/85/1337197885.db2.gz DMPPEBGXJGJFLT-GFCCVEGCSA-N -1 3 333.392 2.078 20 30 EEEDHM CN(CCc1cccc(C#N)c1)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001579231495 1344355515 /nfs/dbraw/zinc/35/55/15/1344355515.db2.gz FXDOJFSSYGNQRW-UHFFFAOYSA-N -1 3 349.354 2.325 20 30 EEEDHM CN(CCc1cccc(C#N)c1)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001579231495 1344355517 /nfs/dbraw/zinc/35/55/17/1344355517.db2.gz FXDOJFSSYGNQRW-UHFFFAOYSA-N -1 3 349.354 2.325 20 30 EEEDHM CN(CCc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1CC#N ZINC001579235458 1344355892 /nfs/dbraw/zinc/35/58/92/1344355892.db2.gz OCYZAKQWSSUOSX-UHFFFAOYSA-N -1 3 346.394 2.247 20 30 EEEDHM CN(CCc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1CC#N ZINC001579235458 1344355895 /nfs/dbraw/zinc/35/58/95/1344355895.db2.gz OCYZAKQWSSUOSX-UHFFFAOYSA-N -1 3 346.394 2.247 20 30 EEEDHM CSc1cccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)n1 ZINC001580234483 1344495771 /nfs/dbraw/zinc/49/57/71/1344495771.db2.gz ACSUHXZRKDKTHP-UHFFFAOYSA-N -1 3 337.368 2.108 20 30 EEEDHM CSc1cccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)n1 ZINC001580234483 1344495774 /nfs/dbraw/zinc/49/57/74/1344495774.db2.gz ACSUHXZRKDKTHP-UHFFFAOYSA-N -1 3 337.368 2.108 20 30 EEEDHM Cc1nc(NCc2nc(C#N)cs2)c(Cl)cc1-c1nnn[n-]1 ZINC001581526373 1344634708 /nfs/dbraw/zinc/63/47/08/1344634708.db2.gz VPPWLLOKXIBVJZ-UHFFFAOYSA-N -1 3 332.780 2.164 20 30 EEEDHM Cc1nc(NCc2nc(C#N)cs2)c(Cl)cc1-c1nn[n-]n1 ZINC001581526373 1344634714 /nfs/dbraw/zinc/63/47/14/1344634714.db2.gz VPPWLLOKXIBVJZ-UHFFFAOYSA-N -1 3 332.780 2.164 20 30 EEEDHM N#CC[C@@H](O)CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC001581858543 1344679713 /nfs/dbraw/zinc/67/97/13/1344679713.db2.gz LDTCTGXUWCDEMU-GFCCVEGCSA-N -1 3 338.396 2.295 20 30 EEEDHM N#CC[C@@H](O)CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC001581858543 1344679714 /nfs/dbraw/zinc/67/97/14/1344679714.db2.gz LDTCTGXUWCDEMU-GFCCVEGCSA-N -1 3 338.396 2.295 20 30 EEEDHM N#CCc1ccccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001581859665 1344679990 /nfs/dbraw/zinc/67/99/90/1344679990.db2.gz ORXUSEDOMDEOBJ-UHFFFAOYSA-N -1 3 336.330 2.002 20 30 EEEDHM N#CCc1ccccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001581859665 1344679996 /nfs/dbraw/zinc/67/99/96/1344679996.db2.gz ORXUSEDOMDEOBJ-UHFFFAOYSA-N -1 3 336.330 2.002 20 30 EEEDHM C#C[C@H](NCc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(F)cc1 ZINC001588328494 1348887764 /nfs/dbraw/zinc/88/77/64/1348887764.db2.gz IJMUGCRRYTXXMC-INIZCTEOSA-N -1 3 347.357 2.118 20 30 EEEDHM C#C[C@H](NCc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(F)cc1 ZINC001588328494 1348887770 /nfs/dbraw/zinc/88/77/70/1348887770.db2.gz IJMUGCRRYTXXMC-INIZCTEOSA-N -1 3 347.357 2.118 20 30 EEEDHM C#C[C@H](NC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001588329297 1348888620 /nfs/dbraw/zinc/88/86/20/1348888620.db2.gz CPOTTYCWQSMDEJ-DOMZBBRYSA-N -1 3 326.404 2.227 20 30 EEEDHM C#C[C@H](NC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001588329297 1348888625 /nfs/dbraw/zinc/88/86/25/1348888625.db2.gz CPOTTYCWQSMDEJ-DOMZBBRYSA-N -1 3 326.404 2.227 20 30 EEEDHM C#CC[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001588337412 1348892623 /nfs/dbraw/zinc/89/26/23/1348892623.db2.gz OXRGASFSZZNJQK-JTQLQIEISA-N -1 3 330.779 2.397 20 30 EEEDHM C#CC[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001588337412 1348892631 /nfs/dbraw/zinc/89/26/31/1348892631.db2.gz OXRGASFSZZNJQK-JTQLQIEISA-N -1 3 330.779 2.397 20 30 EEEDHM C=CC(C)(C)C(=O)N(C)[C@@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588468837 1348907375 /nfs/dbraw/zinc/90/73/75/1348907375.db2.gz XZZAVXGKXMNRQN-NSHDSACASA-N -1 3 346.410 2.477 20 30 EEEDHM C=CC(C)(C)C(=O)N(C)[C@@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588468837 1348907376 /nfs/dbraw/zinc/90/73/76/1348907376.db2.gz XZZAVXGKXMNRQN-NSHDSACASA-N -1 3 346.410 2.477 20 30 EEEDHM C=C1CN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cn3)c2)C1 ZINC001588462715 1348907469 /nfs/dbraw/zinc/90/74/69/1348907469.db2.gz OTMRSLPUJWSURU-UHFFFAOYSA-N -1 3 349.354 2.458 20 30 EEEDHM C=C1CN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cn3)c2)C1 ZINC001588462715 1348907473 /nfs/dbraw/zinc/90/74/73/1348907473.db2.gz OTMRSLPUJWSURU-UHFFFAOYSA-N -1 3 349.354 2.458 20 30 EEEDHM C=CCC(C)(C)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588531466 1348913570 /nfs/dbraw/zinc/91/35/70/1348913570.db2.gz CBRVOBFDCSACCZ-GFCCVEGCSA-N -1 3 343.435 2.123 20 30 EEEDHM C=CCC(C)(C)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588531466 1348913574 /nfs/dbraw/zinc/91/35/74/1348913574.db2.gz CBRVOBFDCSACCZ-GFCCVEGCSA-N -1 3 343.435 2.123 20 30 EEEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588560492 1348917169 /nfs/dbraw/zinc/91/71/69/1348917169.db2.gz RNAWMIHRQUGJGG-WQVCFCJDSA-N -1 3 341.415 2.151 20 30 EEEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588560492 1348917173 /nfs/dbraw/zinc/91/71/73/1348917173.db2.gz RNAWMIHRQUGJGG-WQVCFCJDSA-N -1 3 341.415 2.151 20 30 EEEDHM C=CCCC(C)(C)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001588577805 1348919659 /nfs/dbraw/zinc/91/96/59/1348919659.db2.gz NYEAQOSBOSYUOD-UHFFFAOYSA-N -1 3 349.460 2.446 20 30 EEEDHM C=CCCC(C)(C)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001588577805 1348919662 /nfs/dbraw/zinc/91/96/62/1348919662.db2.gz NYEAQOSBOSYUOD-UHFFFAOYSA-N -1 3 349.460 2.446 20 30 EEEDHM C=CCCCC(=O)N(C)CCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001588581795 1348919947 /nfs/dbraw/zinc/91/99/47/1348919947.db2.gz AKOMHDWVXLDLDI-UHFFFAOYSA-N -1 3 349.826 2.142 20 30 EEEDHM C=CCCCC(=O)N(C)CCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001588581795 1348919950 /nfs/dbraw/zinc/91/99/50/1348919950.db2.gz AKOMHDWVXLDLDI-UHFFFAOYSA-N -1 3 349.826 2.142 20 30 EEEDHM C=CCCCC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001588588349 1348920804 /nfs/dbraw/zinc/92/08/04/1348920804.db2.gz LGJXNLJGCPWFSU-UHFFFAOYSA-N -1 3 341.419 2.021 20 30 EEEDHM C=CCCCC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001588588349 1348920807 /nfs/dbraw/zinc/92/08/07/1348920807.db2.gz LGJXNLJGCPWFSU-UHFFFAOYSA-N -1 3 341.419 2.021 20 30 EEEDHM C=CCCCC(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588588407 1348921778 /nfs/dbraw/zinc/92/17/78/1348921778.db2.gz MUEVGNRAQXKWHK-CQSZACIVSA-N -1 3 341.419 2.021 20 30 EEEDHM C=CCCCC(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588588407 1348921780 /nfs/dbraw/zinc/92/17/80/1348921780.db2.gz MUEVGNRAQXKWHK-CQSZACIVSA-N -1 3 341.419 2.021 20 30 EEEDHM C=CCCCS(=O)(=O)Oc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588603352 1348923261 /nfs/dbraw/zinc/92/32/61/1348923261.db2.gz LYOUKAGENOJSRY-UHFFFAOYSA-N -1 3 328.781 2.195 20 30 EEEDHM C=CCCCS(=O)(=O)Oc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588603352 1348923263 /nfs/dbraw/zinc/92/32/63/1348923263.db2.gz LYOUKAGENOJSRY-UHFFFAOYSA-N -1 3 328.781 2.195 20 30 EEEDHM C=CCN(CC(=O)OC(C)(C)C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588627832 1348924249 /nfs/dbraw/zinc/92/42/49/1348924249.db2.gz KGLRRRIEXCODCC-UHFFFAOYSA-N -1 3 329.404 2.196 20 30 EEEDHM C=CCN(CC(=O)OC(C)(C)C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588627832 1348924251 /nfs/dbraw/zinc/92/42/51/1348924251.db2.gz KGLRRRIEXCODCC-UHFFFAOYSA-N -1 3 329.404 2.196 20 30 EEEDHM C=CCN(CC=C)C(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001588632052 1348925426 /nfs/dbraw/zinc/92/54/26/1348925426.db2.gz RDKSRMGKHSBQQV-INIZCTEOSA-N -1 3 341.415 2.471 20 30 EEEDHM C=CCN(CC=C)C(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001588632052 1348925429 /nfs/dbraw/zinc/92/54/29/1348925429.db2.gz RDKSRMGKHSBQQV-INIZCTEOSA-N -1 3 341.415 2.471 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CC[C@@H](OC)C1 ZINC001588638636 1348925504 /nfs/dbraw/zinc/92/55/04/1348925504.db2.gz GECXMLRGFPDGHP-HZPDHXFCSA-N -1 3 341.415 2.196 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CC[C@@H](OC)C1 ZINC001588638636 1348925506 /nfs/dbraw/zinc/92/55/06/1348925506.db2.gz GECXMLRGFPDGHP-HZPDHXFCSA-N -1 3 341.415 2.196 20 30 EEEDHM CC(C)(C)[C@@H]1CCN(c2c(C#N)cccc2-c2nnn[n-]2)CCO1 ZINC001589104917 1348961017 /nfs/dbraw/zinc/96/10/17/1348961017.db2.gz KAQKMMWRDTXEHN-AWEZNQCLSA-N -1 3 326.404 2.380 20 30 EEEDHM CC(C)(C)[C@@H]1CCN(c2c(C#N)cccc2-c2nn[n-]n2)CCO1 ZINC001589104917 1348961019 /nfs/dbraw/zinc/96/10/19/1348961019.db2.gz KAQKMMWRDTXEHN-AWEZNQCLSA-N -1 3 326.404 2.380 20 30 EEEDHM CC(C)(C(=O)N1CCC[C@@](C)(C#N)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590054428 1349133089 /nfs/dbraw/zinc/13/30/89/1349133089.db2.gz JSMNEWANONKYRK-SFHVURJKSA-N -1 3 338.415 2.297 20 30 EEEDHM CC(C)(C(=O)N1CCC[C@@](C)(C#N)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590054428 1349133092 /nfs/dbraw/zinc/13/30/92/1349133092.db2.gz JSMNEWANONKYRK-SFHVURJKSA-N -1 3 338.415 2.297 20 30 EEEDHM C[C@@H]1CC[C@@H](C)N(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590227845 1349212498 /nfs/dbraw/zinc/21/24/98/1349212498.db2.gz SMBVMYGORURUBG-IOASZLSFSA-N -1 3 338.415 2.196 20 30 EEEDHM N#CCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC001592673218 1349703841 /nfs/dbraw/zinc/70/38/41/1349703841.db2.gz BKMAOGRZGJDMGT-UHFFFAOYSA-N -1 3 330.779 2.286 20 30 EEEDHM N#CCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC001592673218 1349703845 /nfs/dbraw/zinc/70/38/45/1349703845.db2.gz BKMAOGRZGJDMGT-UHFFFAOYSA-N -1 3 330.779 2.286 20 30 EEEDHM N#Cc1ccc(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001592692958 1349706054 /nfs/dbraw/zinc/70/60/54/1349706054.db2.gz RASNFZNPYFAWGU-UHFFFAOYSA-N -1 3 335.327 2.301 20 30 EEEDHM N#Cc1ccc(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001592692958 1349706059 /nfs/dbraw/zinc/70/60/59/1349706059.db2.gz RASNFZNPYFAWGU-UHFFFAOYSA-N -1 3 335.327 2.301 20 30 EEEDHM N#Cc1ccc(CN2CCO[C@H](c3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC001592692775 1349706552 /nfs/dbraw/zinc/70/65/52/1349706552.db2.gz DWAWBUWVIVOMQJ-SFHVURJKSA-N -1 3 346.394 2.312 20 30 EEEDHM N#Cc1ccc2c(c1)CN(c1nc3c(cc1-c1nnn[n-]1)CCC3)C2 ZINC001592698131 1349707419 /nfs/dbraw/zinc/70/74/19/1349707419.db2.gz JQKQWIBZRTZCFE-UHFFFAOYSA-N -1 3 329.367 2.142 20 30 EEEDHM N#Cc1ccc2c(c1)CN(c1nc3c(cc1-c1nn[n-]n1)CCC3)C2 ZINC001592698131 1349707422 /nfs/dbraw/zinc/70/74/22/1349707422.db2.gz JQKQWIBZRTZCFE-UHFFFAOYSA-N -1 3 329.367 2.142 20 30 EEEDHM N#Cc1cccc(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001592702407 1349709481 /nfs/dbraw/zinc/70/94/81/1349709481.db2.gz WVWPBOUXCCVZJL-UHFFFAOYSA-N -1 3 339.290 2.398 20 30 EEEDHM N#Cc1cccc(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001592702407 1349709488 /nfs/dbraw/zinc/70/94/88/1349709488.db2.gz WVWPBOUXCCVZJL-UHFFFAOYSA-N -1 3 339.290 2.398 20 30 EEEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)OCC(=O)N2 ZINC001593400571 1349797209 /nfs/dbraw/zinc/79/72/09/1349797209.db2.gz QZEHVLDEAZMZGA-QPJJXVBHSA-N -1 3 347.334 2.094 20 30 EEEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)OCC(=O)N2 ZINC001593400571 1349797211 /nfs/dbraw/zinc/79/72/11/1349797211.db2.gz QZEHVLDEAZMZGA-QPJJXVBHSA-N -1 3 347.334 2.094 20 30 EEEDHM Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC3CC2(C(=O)[O-])C3)c1 ZINC001600174349 1349985506 /nfs/dbraw/zinc/98/55/06/1349985506.db2.gz SFAWXZIYMTUBGD-UHFFFAOYSA-N -1 3 341.411 2.099 20 30 EEEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC001601116869 1350213471 /nfs/dbraw/zinc/21/34/71/1350213471.db2.gz RJIBEWKZIAEYKJ-MGPQQGTHSA-N -1 3 342.317 2.177 20 30 EEEDHM C#Cc1cccc(N(C)C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC001602741550 1350578758 /nfs/dbraw/zinc/57/87/58/1350578758.db2.gz NIFURNTXLDWXRB-UHFFFAOYSA-N -1 3 338.758 2.173 20 30 EEEDHM C#Cc1cccc(N(C)C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC001602741550 1350578761 /nfs/dbraw/zinc/57/87/61/1350578761.db2.gz NIFURNTXLDWXRB-UHFFFAOYSA-N -1 3 338.758 2.173 20 30 EEEDHM C=C(C)[C@H](CC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1)OCC ZINC001602753591 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YIDQUKGRXGLXJQ-DAXOMENPSA-N -1 3 341.415 2.367 20 30 EEEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1nnc(CC)c(CC)c1-c1nnn[n-]1 ZINC001588455670 1348906409 /nfs/dbraw/zinc/90/64/09/1348906409.db2.gz BMYKAOFELODDPL-TXEJJXNPSA-N -1 3 325.420 2.469 20 30 EEEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1nnc(CC)c(CC)c1-c1nn[n-]n1 ZINC001588455670 1348906413 /nfs/dbraw/zinc/90/64/13/1348906413.db2.gz BMYKAOFELODDPL-TXEJJXNPSA-N -1 3 325.420 2.469 20 30 EEEDHM C=C1CN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C1 ZINC001588462932 1348907299 /nfs/dbraw/zinc/90/72/99/1348907299.db2.gz UJIPSTZJDLTUKA-UHFFFAOYSA-N -1 3 349.354 2.458 20 30 EEEDHM C=C[C@](C)(CC)C(=O)NC[C@@H](CC)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001588493477 1348909099 /nfs/dbraw/zinc/90/90/99/1348909099.db2.gz GLCBBDCJAJVXGB-SJKOYZFVSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@](C)(CC)C(=O)NC[C@@H](CC)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001588493477 1348909102 /nfs/dbraw/zinc/90/91/02/1348909102.db2.gz GLCBBDCJAJVXGB-SJKOYZFVSA-N -1 3 343.435 2.171 20 30 EEEDHM 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EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccc(C)nc1 ZINC001588640102 1348926462 /nfs/dbraw/zinc/92/64/62/1348926462.db2.gz KQPXLLXIFWVAFN-UHFFFAOYSA-N -1 3 348.410 2.327 20 30 EEEDHM C=CCNC(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588658283 1348928547 /nfs/dbraw/zinc/92/85/47/1348928547.db2.gz FLVRTMNRGOXGPC-UHFFFAOYSA-N -1 3 328.254 2.073 20 30 EEEDHM C=CCNC(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588658283 1348928551 /nfs/dbraw/zinc/92/85/51/1348928551.db2.gz FLVRTMNRGOXGPC-UHFFFAOYSA-N -1 3 328.254 2.073 20 30 EEEDHM C=CCn1c(CC)nnc1N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588704353 1348929961 /nfs/dbraw/zinc/92/99/61/1348929961.db2.gz YPRXCXCFBKRBHB-LBPRGKRZSA-N -1 3 338.419 2.404 20 30 EEEDHM C=CCn1c(CC)nnc1N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588704353 1348929962 /nfs/dbraw/zinc/92/99/62/1348929962.db2.gz YPRXCXCFBKRBHB-LBPRGKRZSA-N -1 3 338.419 2.404 20 30 EEEDHM CC(C)(C#N)CNc1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1 ZINC001589036155 1348954250 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C=C(C)CN(CC)C(=O)COc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001602758920 1350582986 /nfs/dbraw/zinc/58/29/86/1350582986.db2.gz VPCSEMWGNXDGDF-UHFFFAOYSA-N -1 3 335.795 2.324 20 30 EEEDHM C=C(C)CN(CC)C(=O)COc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001602758920 1350582987 /nfs/dbraw/zinc/58/29/87/1350582987.db2.gz VPCSEMWGNXDGDF-UHFFFAOYSA-N -1 3 335.795 2.324 20 30 EEEDHM C=C1CCC(CNC(=O)c2cc(-c3nnn[n-]3)cc(N(C)C)c2)CC1 ZINC001602775164 1350585103 /nfs/dbraw/zinc/58/51/03/1350585103.db2.gz IXFOAJRVOBOUHT-UHFFFAOYSA-N -1 3 340.431 2.409 20 30 EEEDHM C=C1CCC(CNC(=O)c2cc(-c3nn[n-]n3)cc(N(C)C)c2)CC1 ZINC001602775164 1350585105 /nfs/dbraw/zinc/58/51/05/1350585105.db2.gz IXFOAJRVOBOUHT-UHFFFAOYSA-N -1 3 340.431 2.409 20 30 EEEDHM C=C[C@@H](CC)CC(=O)NC[C@@H](CC)Nc1ncccc1-c1nnn[n-]1 ZINC001602800469 1350588233 /nfs/dbraw/zinc/58/82/33/1350588233.db2.gz MIFKMHSEILAITL-QWHCGFSZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@@H](CC)CC(=O)NC[C@@H](CC)Nc1ncccc1-c1nn[n-]n1 ZINC001602800469 1350588238 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C=CCOCC(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000735438057 578153663 /nfs/dbraw/zinc/15/36/63/578153663.db2.gz WMALBRXDVPIFGO-UHFFFAOYSA-N -1 3 342.384 2.131 20 30 EEEDHM C=CCOCC(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000735438057 578153664 /nfs/dbraw/zinc/15/36/64/578153664.db2.gz WMALBRXDVPIFGO-UHFFFAOYSA-N -1 3 342.384 2.131 20 30 EEEDHM C[C@@H]1CCC[C@@H](OCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1 ZINC000736263394 578191856 /nfs/dbraw/zinc/19/18/56/578191856.db2.gz QDKWSEJOVQSNPU-BXUZGUMPSA-N -1 3 340.387 2.272 20 30 EEEDHM C[C@@H]1CCC[C@@H](OCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1 ZINC000736263394 578191857 /nfs/dbraw/zinc/19/18/57/578191857.db2.gz QDKWSEJOVQSNPU-BXUZGUMPSA-N -1 3 340.387 2.272 20 30 EEEDHM C[C@@H](CN(C)CC(=O)C(C#N)c1nc2ccccc2s1)C(=O)[O-] ZINC000736570755 578212222 /nfs/dbraw/zinc/21/22/22/578212222.db2.gz GGAVPWFPTFBTPT-WDEREUQCSA-N -1 3 331.397 2.125 20 30 EEEDHM COc1ccc(C=Nn2cnnc2-c2ccccc2)cc1-c1nnn[n-]1 ZINC000737083342 578237120 /nfs/dbraw/zinc/23/71/20/578237120.db2.gz QRUMEYWMLZSGMF-UHFFFAOYSA-N -1 3 346.354 2.016 20 30 EEEDHM COc1ccc(C=Nn2cnnc2-c2ccccc2)cc1-c1nn[n-]n1 ZINC000737083342 578237121 /nfs/dbraw/zinc/23/71/21/578237121.db2.gz QRUMEYWMLZSGMF-UHFFFAOYSA-N -1 3 346.354 2.016 20 30 EEEDHM COc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737083624 578237156 /nfs/dbraw/zinc/23/71/56/578237156.db2.gz SGQXILSOWYFHIC-UHFFFAOYSA-N -1 3 339.315 2.230 20 30 EEEDHM COc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737083624 578237157 /nfs/dbraw/zinc/23/71/57/578237157.db2.gz SGQXILSOWYFHIC-UHFFFAOYSA-N -1 3 339.315 2.230 20 30 EEEDHM CC[C@H](C#N)Oc1cccc(CNCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000820841615 599438389 /nfs/dbraw/zinc/43/83/89/599438389.db2.gz APPSHFYADOYFBC-CYBMUJFWSA-N -1 3 338.371 2.430 20 30 EEEDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccc(C#N)cc1 ZINC000821745343 607409318 /nfs/dbraw/zinc/40/93/18/607409318.db2.gz QSORBSVOJNKCRJ-UHFFFAOYSA-N -1 3 335.323 2.104 20 30 EEEDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc(C#N)cc1 ZINC000821745343 607409320 /nfs/dbraw/zinc/40/93/20/607409320.db2.gz QSORBSVOJNKCRJ-UHFFFAOYSA-N -1 3 335.323 2.104 20 30 EEEDHM CC(C)[C@](C)(C#N)NC(=O)CN[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833466212 605178571 /nfs/dbraw/zinc/17/85/71/605178571.db2.gz VUDANDYLKYMALZ-APWZRJJASA-N -1 3 345.443 2.483 20 30 EEEDHM Cc1noc(C(F)F)c1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000822520287 606055604 /nfs/dbraw/zinc/05/56/04/606055604.db2.gz WYPFICXMLDQGIX-UHFFFAOYSA-N -1 3 345.269 2.225 20 30 EEEDHM Cc1noc(C(F)F)c1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000822520287 606055610 /nfs/dbraw/zinc/05/56/10/606055610.db2.gz WYPFICXMLDQGIX-UHFFFAOYSA-N -1 3 345.269 2.225 20 30 EEEDHM C=CCN(CC1CCCCC1)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000819740059 606252751 /nfs/dbraw/zinc/25/27/51/606252751.db2.gz MZOQUCNSOHQJBQ-UHFFFAOYSA-N -1 3 328.420 2.414 20 30 EEEDHM C=CCN(CC1CCCCC1)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000819740059 606252753 /nfs/dbraw/zinc/25/27/53/606252753.db2.gz 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ZINC000824228733 608497417 /nfs/dbraw/zinc/49/74/17/608497417.db2.gz KDXDCNOBQRFNPK-ZDUSSCGKSA-N -1 3 342.403 2.079 20 30 EEEDHM C[C@@H](C#N)CN(C)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000824034764 609358279 /nfs/dbraw/zinc/35/82/79/609358279.db2.gz OQVGXLCAVKJPDT-VIFPVBQESA-N -1 3 335.209 2.221 20 30 EEEDHM C[C@@H](C#N)CN(C)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000824034764 609358282 /nfs/dbraw/zinc/35/82/82/609358282.db2.gz OQVGXLCAVKJPDT-VIFPVBQESA-N -1 3 335.209 2.221 20 30 EEEDHM Cc1ccc(C=CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cn1 ZINC000826285645 609383660 /nfs/dbraw/zinc/38/36/60/609383660.db2.gz FUZFHLVWUSTYRD-DAXSKMNVSA-N -1 3 331.339 2.094 20 30 EEEDHM Cc1ccc(C=CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cn1 ZINC000826285645 609383662 /nfs/dbraw/zinc/38/36/62/609383662.db2.gz FUZFHLVWUSTYRD-DAXSKMNVSA-N -1 3 331.339 2.094 20 30 EEEDHM N#CCC1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826380954 609423646 /nfs/dbraw/zinc/42/36/46/609423646.db2.gz RUGFWQUJGGOEKT-UHFFFAOYSA-N -1 3 342.428 2.111 20 30 EEEDHM N#CCC1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826380954 609423644 /nfs/dbraw/zinc/42/36/44/609423644.db2.gz RUGFWQUJGGOEKT-UHFFFAOYSA-N -1 3 342.428 2.111 20 30 EEEDHM C=C(Cl)CN1CCC[C@@H](NC(=O)c2nnc3ccccc3c2[O-])C1 ZINC001008724290 685638317 /nfs/dbraw/zinc/63/83/17/685638317.db2.gz ADXSCPOVAONAQB-GFCCVEGCSA-N -1 3 346.818 2.282 20 30 EEEDHM CC(C)(C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O)C1CC1 ZINC000904185977 694315292 /nfs/dbraw/zinc/31/52/92/694315292.db2.gz NBLDQEWIESAKAR-UHFFFAOYSA-N -1 3 330.384 2.327 20 30 EEEDHM CC(C)(C)OC(=O)NCCOCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904174460 694319427 /nfs/dbraw/zinc/31/94/27/694319427.db2.gz BBVAXCWNDOJLTC-UHFFFAOYSA-N -1 3 342.367 2.085 20 30 EEEDHM CS(=O)(=O)CC1(CC(=O)N([O-])Cc2ccccc2Cl)CC1 ZINC000904188858 694323852 /nfs/dbraw/zinc/32/38/52/694323852.db2.gz QOCLWVKVUDTXFX-UHFFFAOYSA-N -1 3 331.821 2.273 20 30 EEEDHM N#Cc1cc2c(nc1[N-]C(=O)c1nnc3ccccc3n1)CCCC2 ZINC001266667625 1177100937 /nfs/dbraw/zinc/10/09/37/1177100937.db2.gz IKAITNDZSPMCGM-UHFFFAOYSA-N -1 3 330.351 2.423 20 30 EEEDHM C=CCN1C[C@]2(CC1=O)CCCCN2C(=O)c1ccc(C)cc1[O-] ZINC001269951123 1184738244 /nfs/dbraw/zinc/73/82/44/1184738244.db2.gz JGVKVBLFCSVYCX-LJQANCHMSA-N -1 3 328.412 2.484 20 30 EEEDHM C=CCN1C[C@]2(CC1=O)CCCCN2C(=O)c1ccc(Cl)c(=O)[n-]1 ZINC001271596579 1186330849 /nfs/dbraw/zinc/33/08/49/1186330849.db2.gz NIMOXQZQXKZHEW-QGZVFWFLSA-N -1 3 349.818 2.224 20 30 EEEDHM C[C@H](C[C@H](C)NCc1ccccc1C#N)NC(=O)c1ncccc1[O-] ZINC001134190729 1199382162 /nfs/dbraw/zinc/38/21/62/1199382162.db2.gz WMLNZNFSALTZHB-UONOGXRCSA-N -1 3 338.411 2.346 20 30 EEEDHM CC(C)[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)NCc1ccco1 ZINC000811185457 1199916168 /nfs/dbraw/zinc/91/61/68/1199916168.db2.gz MBTPYRDRIMCRCM-MRXNPFEDSA-N -1 3 342.351 2.355 20 30 EEEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(CC2CC2)c1 ZINC000870143396 1200504790 /nfs/dbraw/zinc/50/47/90/1200504790.db2.gz UVRMCOTZFJRENC-AWEZNQCLSA-N -1 3 338.367 2.263 20 30 EEEDHM O=C(Nc1ccn(-c2ccc(Cl)cc2)n1)N[C@H]1CCCN([O-])C1=O ZINC000880029188 1201354776 /nfs/dbraw/zinc/35/47/76/1201354776.db2.gz RJZIZSFYULTPCS-LBPRGKRZSA-N -1 3 349.778 2.027 20 30 EEEDHM N#Cc1ccc(-c2nnc(COC(=O)c3cccc4nn[n-]c43)o2)cc1 ZINC000800206569 1202220858 /nfs/dbraw/zinc/22/08/58/1202220858.db2.gz HGHLSPSXMRZBJY-UHFFFAOYSA-N -1 3 346.306 2.237 20 30 EEEDHM N#Cc1ccc(-c2nnc(COC(=O)c3cccc4[n-]nnc43)o2)cc1 ZINC000800206569 1202220859 /nfs/dbraw/zinc/22/08/59/1202220859.db2.gz HGHLSPSXMRZBJY-UHFFFAOYSA-N -1 3 346.306 2.237 20 30 EEEDHM N#Cc1ccc(-c2nnc(COC(=O)c3cccc4n[n-]nc43)o2)cc1 ZINC000800206569 1202220861 /nfs/dbraw/zinc/22/08/61/1202220861.db2.gz HGHLSPSXMRZBJY-UHFFFAOYSA-N -1 3 346.306 2.237 20 30 EEEDHM C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1sc(=O)[n-]c1Cl ZINC001274174117 1204433389 /nfs/dbraw/zinc/43/33/89/1204433389.db2.gz FSTXNSXJWCAJJO-HNNXBMFYSA-N -1 3 339.848 2.092 20 30 EEEDHM C=C(C)CN1C[C@@]2(F)CN(Cc3cccc([O-])c3F)C[C@@]2(F)C1=O ZINC001274859556 1205190217 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Cc1cccc([O-])c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001188647043 1279946475 /nfs/dbraw/zinc/94/64/75/1279946475.db2.gz KJZXWJGXNXKSKP-CYBMUJFWSA-N -1 3 345.399 2.286 20 30 EEEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CCOC2CCCCC2)c1 ZINC001190669968 1280985541 /nfs/dbraw/zinc/98/55/41/1280985541.db2.gz CAJJZIMIBRZRQO-UHFFFAOYSA-N -1 3 326.393 2.325 20 30 EEEDHM CC(=O)Nc1ccc(C(=O)N([O-])C(=N)c2ccccc2N)cc1C ZINC001191451707 1281373784 /nfs/dbraw/zinc/37/37/84/1281373784.db2.gz KSSJWYMTUCFSBY-UHFFFAOYSA-N -1 3 326.356 2.393 20 30 EEEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnn3)cc2)cc1C#N ZINC001201316032 1289467338 /nfs/dbraw/zinc/46/73/38/1289467338.db2.gz UQHKFYNRARNEHK-UHFFFAOYSA-N -1 3 339.380 2.248 20 30 EEEDHM C#CCCCCCC(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000854456902 1292791433 /nfs/dbraw/zinc/79/14/33/1292791433.db2.gz YFKKYPNQANUBIJ-UONOGXRCSA-N -1 3 331.416 2.450 20 30 EEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC[C@@H](C)CC)ccc1F ZINC000855388249 1293197235 /nfs/dbraw/zinc/19/72/35/1293197235.db2.gz QANSZGNAZWOUPP-LBPRGKRZSA-N -1 3 342.436 2.456 20 30 EEEDHM CC(C)(C)n1nnc(C=NNc2nc3ccccc3[n-]c2=S)n1 ZINC000863125328 1296122659 /nfs/dbraw/zinc/12/26/59/1296122659.db2.gz SXOPFLXBBLMLCO-UHFFFAOYSA-N -1 3 328.405 2.480 20 30 EEEDHM C[N-]S(=O)(=O)c1cc(N=Cc2cccc(OC)c2O)ccc1F ZINC000794680531 1296524795 /nfs/dbraw/zinc/52/47/95/1296524795.db2.gz OUYJWISJDCVHTD-UHFFFAOYSA-N -1 3 338.360 2.199 20 30 EEEDHM C[C@H](CCNC(=O)c1ccccc1[O-])Nc1ncc(C#N)cc1F ZINC001098839070 1298710832 /nfs/dbraw/zinc/71/08/32/1298710832.db2.gz XRAAIBYDBIQOGZ-LLVKDONJSA-N -1 3 328.347 2.418 20 30 EEEDHM C=CCCC(=O)N1C[C@H]2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)C[C@H]21 ZINC001221428977 1298840038 /nfs/dbraw/zinc/84/00/38/1298840038.db2.gz BMIGGQDFVHDMPQ-GDBMZVCRSA-N -1 3 342.443 2.059 20 30 EEEDHM CN(CCNC(=O)c1ccccc1[O-])c1cc(C#N)ccc1[N+](=O)[O-] ZINC001099980961 1299563510 /nfs/dbraw/zinc/56/35/10/1299563510.db2.gz LNXLJZFNTDULCN-UHFFFAOYSA-N -1 3 340.339 2.038 20 30 EEEDHM C=C[C@@H]1O[C@@H](Oc2[n-]c(=O)nc3ccccc32)[C@H]2OC(C)(C)O[C@@H]12 ZINC001226981001 1301635750 /nfs/dbraw/zinc/63/57/50/1301635750.db2.gz NGEXVSNRQVQVMV-ABHRYQDASA-N -1 3 330.340 2.145 20 30 EEEDHM CCc1nc(C#N)cc(N[C@@H](CC)CNC(=O)c2ccccc2[O-])n1 ZINC001102981589 1302022010 /nfs/dbraw/zinc/02/20/10/1302022010.db2.gz PGCGNOYIYHSEQW-LBPRGKRZSA-N -1 3 339.399 2.237 20 30 EEEDHM O=C1C=C[C@@H](Oc2nc(=O)[n-]c3c2CCN(Cc2ccccc2)C3)C1 ZINC001230185116 1303102258 /nfs/dbraw/zinc/10/22/58/1303102258.db2.gz ADUPBOLFPMXSSQ-OAHLLOKOSA-N -1 3 337.379 2.017 20 30 EEEDHM C=CCN1CCN(C)C2(CCN(Cc3ccc([S-])cc3)CC2)C1=O ZINC001233260811 1304410427 /nfs/dbraw/zinc/41/04/27/1304410427.db2.gz RVEOKFZTQDJXCD-UHFFFAOYSA-N -1 3 345.512 2.270 20 30 EEEDHM C[C@@H](CCCNc1ncccc1C#N)NC(=O)c1cccc2n[n-]nc21 ZINC001115002306 1304594132 /nfs/dbraw/zinc/59/41/32/1304594132.db2.gz RRWPSOAQJLATFB-LBPRGKRZSA-N -1 3 349.398 2.235 20 30 EEEDHM CCc1nc(C#N)cc(N[C@@H](C)CN(C)C(=O)c2ccccc2[O-])n1 ZINC001115629141 1305541199 /nfs/dbraw/zinc/54/11/99/1305541199.db2.gz RQIALJXYOQHYBX-LBPRGKRZSA-N -1 3 339.399 2.189 20 30 EEEDHM CSc1ncc(-c2cccc([O-])c2F)c(COS(C)(=O)=O)n1 ZINC001243545161 1309821476 /nfs/dbraw/zinc/82/14/76/1309821476.db2.gz VEXIJJGPMBUHAG-UHFFFAOYSA-N -1 3 344.389 2.186 20 30 EEEDHM CN(C)c1cc(C#N)cc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000837747370 1315108465 /nfs/dbraw/zinc/10/84/65/1315108465.db2.gz SRVPCLYCEMEKMX-UHFFFAOYSA-N -1 3 338.367 2.354 20 30 EEEDHM CC1(C)C[C@@H](CNC(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)CCO1 ZINC001154561138 1317204672 /nfs/dbraw/zinc/20/46/72/1317204672.db2.gz VKXSQMWZLITMRQ-ZDUSSCGKSA-N -1 3 339.395 2.335 20 30 EEEDHM C=C(C)C(=O)NCCCNc1nc(SC)nc(Cl)c1/C=N/[O-] ZINC001156821174 1318225637 /nfs/dbraw/zinc/22/56/37/1318225637.db2.gz ONBKJMOMNZVWIC-REZTVBANSA-N -1 3 343.840 2.154 20 30 EEEDHM COc1ccc(F)c(C[N-]S(=O)(=O)c2ccccc2C#N)c1F ZINC001258304472 1319229668 /nfs/dbraw/zinc/22/96/68/1319229668.db2.gz CSFWBBKJSFWCTG-UHFFFAOYSA-N -1 3 338.335 2.324 20 30 EEEDHM N#CC1([N-]S(=O)(=O)c2cc(F)cc(F)c2)Cc2ccccc2C1 ZINC001259316127 1319523872 /nfs/dbraw/zinc/52/38/72/1319523872.db2.gz GXLDDYHIJRPLKS-UHFFFAOYSA-N -1 3 334.347 2.304 20 30 EEEDHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]CCCCC#N ZINC001261063258 1322006774 /nfs/dbraw/zinc/00/67/74/1322006774.db2.gz HKKLLFSECCQTEX-UHFFFAOYSA-N -1 3 336.822 2.160 20 30 EEEDHM Fc1ccc(NN=Cc2nc(-c3nnn[n-]3)cs2)c(F)c1F ZINC001592652465 1349697194 /nfs/dbraw/zinc/69/71/94/1349697194.db2.gz FBKHVNNFHOZVNF-UHFFFAOYSA-N -1 3 325.279 2.187 20 30 EEEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F)C(C)(C)C ZINC001309551643 1331634222 /nfs/dbraw/zinc/63/42/22/1331634222.db2.gz YIVBFYSHPLCQRS-CYBMUJFWSA-N -1 3 341.404 2.247 20 30 EEEDHM Cn1ncc2c1nc(N=NCc1ccccc1N1CCCC1)[n-]c2=O ZINC001319472767 1332707860 /nfs/dbraw/zinc/70/78/60/1332707860.db2.gz WTBWDTWXVMLBGO-UHFFFAOYSA-N -1 3 337.387 2.115 20 30 EEEDHM C=CC[C@@H]([N-]S(=O)(=O)Cc1ccc(CC)cc1)C(=O)OCC ZINC001321239698 1333052623 /nfs/dbraw/zinc/05/26/23/1333052623.db2.gz 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C[C@H](Nc1c(C#N)cccc1-c1nn[n-]n1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001609126174 1351852884 /nfs/dbraw/zinc/85/28/84/1351852884.db2.gz JKLSZCBYUYIJQM-VIFPVBQESA-N -1 3 346.354 2.493 20 30 EEEDHM CCCCN(CC)C(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609210108 1351893215 /nfs/dbraw/zinc/89/32/15/1351893215.db2.gz ZZZWLAVSSRIHOG-OAHLLOKOSA-N -1 3 326.404 2.198 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)ccc1CON=C(N)c1ccc(F)cc1 ZINC001609388493 1351956379 /nfs/dbraw/zinc/95/63/79/1351956379.db2.gz RINDRPOMDLSXKX-UHFFFAOYSA-N -1 3 326.335 2.151 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)ccc1CON=C(N)c1ccc(F)cc1 ZINC001609388493 1351956380 /nfs/dbraw/zinc/95/63/80/1351956380.db2.gz RINDRPOMDLSXKX-UHFFFAOYSA-N -1 3 326.335 2.151 20 30 EEEDHM Fc1cc(C=NNC(=S)NC2CCCCC2)ccc1-c1nnn[n-]1 ZINC001609488313 1351995256 /nfs/dbraw/zinc/99/52/56/1351995256.db2.gz BOJLVJMDFHGZOZ-UHFFFAOYSA-N -1 3 347.423 2.137 20 30 EEEDHM Fc1cc(C=NNC(=S)NC2CCCCC2)ccc1-c1nn[n-]n1 ZINC001609488313 1351995258 /nfs/dbraw/zinc/99/52/58/1351995258.db2.gz BOJLVJMDFHGZOZ-UHFFFAOYSA-N -1 3 347.423 2.137 20 30 EEEDHM N#CCN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001609495531 1351998758 /nfs/dbraw/zinc/99/87/58/1351998758.db2.gz VFDKCVUVUWITGB-UHFFFAOYSA-N -1 3 332.367 2.356 20 30 EEEDHM N#CCN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001609495531 1351998762 /nfs/dbraw/zinc/99/87/62/1351998762.db2.gz VFDKCVUVUWITGB-UHFFFAOYSA-N -1 3 332.367 2.356 20 30 EEEDHM N#Cc1ccn(Cc2cc(-c3nnn[n-]3)ccc2Br)c1 ZINC001609500520 1352000306 /nfs/dbraw/zinc/00/03/06/1352000306.db2.gz GHSHTIXOJXMKFR-UHFFFAOYSA-N -1 3 329.161 2.351 20 30 EEEDHM N#Cc1ccn(Cc2cc(-c3nn[n-]n3)ccc2Br)c1 ZINC001609500520 1352000308 /nfs/dbraw/zinc/00/03/08/1352000308.db2.gz GHSHTIXOJXMKFR-UHFFFAOYSA-N -1 3 329.161 2.351 20 30 EEEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1ccoc1 ZINC001339198198 1336974420 /nfs/dbraw/zinc/97/44/20/1336974420.db2.gz VXGXAGAMZNOOBC-UHFFFAOYSA-N -1 3 326.360 2.165 20 30 EEEDHM C=CC[C@@H](NC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1)C(=O)[O-] ZINC001354038829 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EEEDHM C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001588476203 1348908192 /nfs/dbraw/zinc/90/81/92/1348908192.db2.gz UCCUJXLOKGDFNU-NWDGAFQWSA-N -1 3 343.435 2.169 20 30 EEEDHM C=C[C@](C)(CCOC)C(=O)Nc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588499580 1348910289 /nfs/dbraw/zinc/91/02/89/1348910289.db2.gz KNOCYZIFTAYBQC-MRXNPFEDSA-N -1 3 331.376 2.043 20 30 EEEDHM C=C[C@](C)(CCOC)C(=O)Nc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588499580 1348910292 /nfs/dbraw/zinc/91/02/92/1348910292.db2.gz KNOCYZIFTAYBQC-MRXNPFEDSA-N -1 3 331.376 2.043 20 30 EEEDHM C=C[C@H](CC)CC(=O)NCC[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001588524344 1348912621 /nfs/dbraw/zinc/91/26/21/1348912621.db2.gz QIAJTFNQUVTDPB-QWHCGFSZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@H](CC)CC(=O)NCC[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001588524344 1348912626 /nfs/dbraw/zinc/91/26/26/1348912626.db2.gz QIAJTFNQUVTDPB-QWHCGFSZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CC1CCN(c2ncc(-c3nnn[n-]3)cc2Br)CC1 ZINC001588529701 1348913900 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C=CCOCCCOC(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001588682915 1348929341 /nfs/dbraw/zinc/92/93/41/1348929341.db2.gz LMBYMVOEZQWDRE-UHFFFAOYSA-N -1 3 346.362 2.173 20 30 EEEDHM CC#CCN(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588745691 1348931360 /nfs/dbraw/zinc/93/13/60/1348931360.db2.gz BGHKKBQGJYXEHZ-UHFFFAOYSA-N -1 3 349.192 2.116 20 30 EEEDHM CC#CCN(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588745691 1348931364 /nfs/dbraw/zinc/93/13/64/1348931364.db2.gz BGHKKBQGJYXEHZ-UHFFFAOYSA-N -1 3 349.192 2.116 20 30 EEEDHM C[C@@H](C#N)CNc1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001588934526 1348949525 /nfs/dbraw/zinc/94/95/25/1348949525.db2.gz OWEGEOLOOQJHAP-LURJTMIESA-N -1 3 325.145 2.340 20 30 EEEDHM C[C@@H](C#N)CNc1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001588934526 1348949528 /nfs/dbraw/zinc/94/95/28/1348949528.db2.gz OWEGEOLOOQJHAP-LURJTMIESA-N -1 3 325.145 2.340 20 30 EEEDHM CC(C)Oc1ccc(NC(=O)c2cc(C#N)ccn2)cc1-c1nnn[n-]1 ZINC001589757717 1349031040 /nfs/dbraw/zinc/03/10/40/1349031040.db2.gz 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EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC[C@@H]1COc2ccccc2O1 ZINC001592700017 1404717349 /nfs/dbraw/zinc/71/73/49/1404717349.db2.gz XDKYDNPHOLPFDB-CYBMUJFWSA-N -1 3 348.366 2.380 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC[C@@H]1COc2ccccc2O1 ZINC001592700017 1404717356 /nfs/dbraw/zinc/71/73/56/1404717356.db2.gz XDKYDNPHOLPFDB-CYBMUJFWSA-N -1 3 348.366 2.380 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC[C@H]1COc2ccccc2O1 ZINC001592700018 1404718467 /nfs/dbraw/zinc/71/84/67/1404718467.db2.gz XDKYDNPHOLPFDB-ZDUSSCGKSA-N -1 3 348.366 2.380 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC[C@H]1COc2ccccc2O1 ZINC001592700018 1404718470 /nfs/dbraw/zinc/71/84/70/1404718470.db2.gz XDKYDNPHOLPFDB-ZDUSSCGKSA-N -1 3 348.366 2.380 20 30 EEEDHM N#Cc1csc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC001592705797 1404718556 /nfs/dbraw/zinc/71/85/56/1404718556.db2.gz DRSKPRGOYBZMTP-UHFFFAOYSA-N -1 3 330.764 2.294 20 30 EEEDHM N#Cc1csc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC001592705797 1404718561 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ZINC000736274299 578192594 /nfs/dbraw/zinc/19/25/94/578192594.db2.gz UACFRJJSTWDKNZ-XHDPSFHLSA-N -1 3 340.387 2.272 20 30 EEEDHM O=c1nc(C=N[O-])ccn1Cc1cccc(OCC(F)(F)F)c1 ZINC000736302142 578194318 /nfs/dbraw/zinc/19/43/18/578194318.db2.gz GYCFTEMCPTZYAR-UHFFFAOYSA-N -1 3 327.262 2.041 20 30 EEEDHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)[C@H](C)c1ccc(C#N)cc1 ZINC000736505759 578209254 /nfs/dbraw/zinc/20/92/54/578209254.db2.gz MMBYWGXQOLFEPS-GFCCVEGCSA-N -1 3 347.382 2.357 20 30 EEEDHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)[C@H](C)c1ccc(C#N)cc1 ZINC000736505759 578209255 /nfs/dbraw/zinc/20/92/55/578209255.db2.gz MMBYWGXQOLFEPS-GFCCVEGCSA-N -1 3 347.382 2.357 20 30 EEEDHM COCc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000737017164 578233293 /nfs/dbraw/zinc/23/32/93/578233293.db2.gz LJIDZJUTSSJUKB-UHFFFAOYSA-N -1 3 334.339 2.137 20 30 EEEDHM COCc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000737017164 578233294 /nfs/dbraw/zinc/23/32/94/578233294.db2.gz LJIDZJUTSSJUKB-UHFFFAOYSA-N -1 3 334.339 2.137 20 30 EEEDHM N#Cc1cccc(NC(=O)CSc2ccccc2-c2nnn[n-]2)c1 ZINC000737730739 578268825 /nfs/dbraw/zinc/26/88/25/578268825.db2.gz RAPDYUAXPRPSRJ-UHFFFAOYSA-N -1 3 336.380 2.469 20 30 EEEDHM N#Cc1cccc(NC(=O)CSc2ccccc2-c2nn[n-]n2)c1 ZINC000737730739 578268826 /nfs/dbraw/zinc/26/88/26/578268826.db2.gz RAPDYUAXPRPSRJ-UHFFFAOYSA-N -1 3 336.380 2.469 20 30 EEEDHM COc1cccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1OC ZINC000821862482 607254080 /nfs/dbraw/zinc/25/40/80/607254080.db2.gz BWPNHNNIQLVICZ-UHFFFAOYSA-N -1 3 338.371 2.008 20 30 EEEDHM COc1cccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1OC ZINC000821862482 607254081 /nfs/dbraw/zinc/25/40/81/607254081.db2.gz BWPNHNNIQLVICZ-UHFFFAOYSA-N -1 3 338.371 2.008 20 30 EEEDHM N#Cc1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)c([N+](=O)[O-])c1 ZINC000822832707 599071458 /nfs/dbraw/zinc/07/14/58/599071458.db2.gz DXKUPJCOQUNLSY-UHFFFAOYSA-N -1 3 339.290 2.398 20 30 EEEDHM N#Cc1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)c([N+](=O)[O-])c1 ZINC000822832707 599071461 /nfs/dbraw/zinc/07/14/61/599071461.db2.gz DXKUPJCOQUNLSY-UHFFFAOYSA-N -1 3 339.290 2.398 20 30 EEEDHM N#Cc1ccccc1SCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822842413 599348195 /nfs/dbraw/zinc/34/81/95/599348195.db2.gz HINWZAOLZMFHIY-UHFFFAOYSA-N -1 3 336.380 2.469 20 30 EEEDHM N#Cc1ccccc1SCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822842413 599348198 /nfs/dbraw/zinc/34/81/98/599348198.db2.gz HINWZAOLZMFHIY-UHFFFAOYSA-N -1 3 336.380 2.469 20 30 EEEDHM C[C@H](NC(=O)c1cccc(CC#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397073 599514488 /nfs/dbraw/zinc/51/44/88/599514488.db2.gz LLLIXJLPUJDDPA-LBPRGKRZSA-N -1 3 332.367 2.424 20 30 EEEDHM C[C@H](NC(=O)c1cccc(CC#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397073 599514489 /nfs/dbraw/zinc/51/44/89/599514489.db2.gz LLLIXJLPUJDDPA-LBPRGKRZSA-N -1 3 332.367 2.424 20 30 EEEDHM N#Cc1cccc(C2(NC(=O)c3sccc3-c3nnn[n-]3)CC2)c1 ZINC000826386766 607417805 /nfs/dbraw/zinc/41/78/05/607417805.db2.gz RZCMOZUFDDKTRT-UHFFFAOYSA-N -1 3 336.380 2.219 20 30 EEEDHM N#Cc1cccc(C2(NC(=O)c3sccc3-c3nn[n-]n3)CC2)c1 ZINC000826386766 607417807 /nfs/dbraw/zinc/41/78/07/607417807.db2.gz RZCMOZUFDDKTRT-UHFFFAOYSA-N -1 3 336.380 2.219 20 30 EEEDHM C#CCN1C(=O)c2ccccc2N[C@H]1c1ccc(-c2nnn[n-]2)cc1F ZINC000819701250 607461479 /nfs/dbraw/zinc/46/14/79/607461479.db2.gz AKVBJCYPQSZVJW-QGZVFWFLSA-N -1 3 348.341 2.206 20 30 EEEDHM C#CCN1C(=O)c2ccccc2N[C@H]1c1ccc(-c2nn[n-]n2)cc1F ZINC000819701250 607461480 /nfs/dbraw/zinc/46/14/80/607461480.db2.gz AKVBJCYPQSZVJW-QGZVFWFLSA-N -1 3 348.341 2.206 20 30 EEEDHM CCOC(=O)N(C)C1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000829857656 601313543 /nfs/dbraw/zinc/31/35/43/601313543.db2.gz OVWUURWUMSGRST-INIZCTEOSA-N -1 3 345.399 2.237 20 30 EEEDHM COC[C@@](C)(CC(=O)[O-])NCc1cc(Cl)ccc1OCC#N ZINC000831577472 601488327 /nfs/dbraw/zinc/48/83/27/601488327.db2.gz GMBTWVDDZVLQLU-OAHLLOKOSA-N -1 3 326.780 2.212 20 30 EEEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000826013163 601946112 /nfs/dbraw/zinc/94/61/12/601946112.db2.gz KRQYFCWFJSALJV-QFYYESIMSA-N -1 3 335.791 2.335 20 30 EEEDHM C[C@@H](CSc1nc(N)c(-c2nnn[n-]2)cc1C#N)C(F)(F)F ZINC000824448671 607655603 /nfs/dbraw/zinc/65/56/03/607655603.db2.gz JWHIWSRVADXNKZ-YFKPBYRVSA-N -1 3 329.311 2.006 20 30 EEEDHM C[C@@H](CSc1nc(N)c(-c2nn[n-]n2)cc1C#N)C(F)(F)F ZINC000824448671 607655605 /nfs/dbraw/zinc/65/56/05/607655605.db2.gz JWHIWSRVADXNKZ-YFKPBYRVSA-N -1 3 329.311 2.006 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1ccc(C#N)cc1F ZINC000826249161 607685134 /nfs/dbraw/zinc/68/51/34/607685134.db2.gz OSALASZVPMRHTK-UHFFFAOYSA-N -1 3 336.330 2.116 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1ccc(C#N)cc1F ZINC000826249161 607685137 /nfs/dbraw/zinc/68/51/37/607685137.db2.gz OSALASZVPMRHTK-UHFFFAOYSA-N -1 3 336.330 2.116 20 30 EEEDHM C[C@H]1CCCC[C@H]1NC(=S)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000820703693 606203917 /nfs/dbraw/zinc/20/39/17/606203917.db2.gz JRMUABXJYGSBMA-JOYOIKCWSA-N -1 3 349.489 2.305 20 30 EEEDHM C[C@H]1CCCC[C@H]1NC(=S)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000820703693 606203918 /nfs/dbraw/zinc/20/39/18/606203918.db2.gz JRMUABXJYGSBMA-JOYOIKCWSA-N -1 3 349.489 2.305 20 30 EEEDHM C=CCCCC(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000819733960 606236065 /nfs/dbraw/zinc/23/60/65/606236065.db2.gz GEWHLWSWABYTCL-UHFFFAOYSA-N -1 3 349.778 2.358 20 30 EEEDHM C=CCCCC(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000819733960 606236066 /nfs/dbraw/zinc/23/60/66/606236066.db2.gz GEWHLWSWABYTCL-UHFFFAOYSA-N -1 3 349.778 2.358 20 30 EEEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000822924262 606304873 /nfs/dbraw/zinc/30/48/73/606304873.db2.gz ZQZSJUBRLODVGK-DUXPYHPUSA-N -1 3 338.352 2.406 20 30 EEEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000822924262 606304875 /nfs/dbraw/zinc/30/48/75/606304875.db2.gz ZQZSJUBRLODVGK-DUXPYHPUSA-N -1 3 338.352 2.406 20 30 EEEDHM C[C@H](OC(=O)COc1ccccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497405 606349471 /nfs/dbraw/zinc/34/94/71/606349471.db2.gz QZHNSJAKYTVADJ-LBPRGKRZSA-N -1 3 349.350 2.422 20 30 EEEDHM C[C@H](OC(=O)COc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1 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EEEDHM N#Cc1ccnc(Sc2ccc(-c3nn[n-]n3)cc2F)c1[N+](=O)[O-] ZINC000822842681 606714125 /nfs/dbraw/zinc/71/41/25/606714125.db2.gz TXDRGOJHZJEOJG-UHFFFAOYSA-N -1 3 343.303 2.332 20 30 EEEDHM CN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1C#N ZINC000821569698 606973098 /nfs/dbraw/zinc/97/30/98/606973098.db2.gz SFZQQVSAZYDNQL-UHFFFAOYSA-N -1 3 332.367 2.334 20 30 EEEDHM CN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1C#N ZINC000821569698 606973099 /nfs/dbraw/zinc/97/30/99/606973099.db2.gz SFZQQVSAZYDNQL-UHFFFAOYSA-N -1 3 332.367 2.334 20 30 EEEDHM N#CCc1ccc(C(=O)OCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826382498 607978895 /nfs/dbraw/zinc/97/88/95/607978895.db2.gz HJRIBKRLQGAZDC-UHFFFAOYSA-N -1 3 349.350 2.169 20 30 EEEDHM N#CCc1ccc(C(=O)OCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826382498 607978896 /nfs/dbraw/zinc/97/88/96/607978896.db2.gz HJRIBKRLQGAZDC-UHFFFAOYSA-N -1 3 349.350 2.169 20 30 EEEDHM COC1CCC(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CC1 ZINC000826144655 608004885 /nfs/dbraw/zinc/00/48/85/608004885.db2.gz OQXUMXCTZCICNO-UHFFFAOYSA-N -1 3 340.387 2.272 20 30 EEEDHM COC1CCC(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CC1 ZINC000826144655 608004886 /nfs/dbraw/zinc/00/48/86/608004886.db2.gz OQXUMXCTZCICNO-UHFFFAOYSA-N -1 3 340.387 2.272 20 30 EEEDHM Oc1cccc2c1CCC2N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826511442 608541917 /nfs/dbraw/zinc/54/19/17/608541917.db2.gz QOEPWZJEOKNVBE-UHFFFAOYSA-N -1 3 341.762 2.383 20 30 EEEDHM Oc1cccc2c1CCC2N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826511442 608541919 /nfs/dbraw/zinc/54/19/19/608541919.db2.gz QOEPWZJEOKNVBE-UHFFFAOYSA-N -1 3 341.762 2.383 20 30 EEEDHM C=CCCO[C@@H](C)C(=O)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000823899591 608571297 /nfs/dbraw/zinc/57/12/97/608571297.db2.gz ZDZKIAGEWNXPBX-NSHDSACASA-N -1 3 342.403 2.060 20 30 EEEDHM C=CCCO[C@@H](C)C(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000823899591 608571299 /nfs/dbraw/zinc/57/12/99/608571299.db2.gz ZDZKIAGEWNXPBX-NSHDSACASA-N -1 3 342.403 2.060 20 30 EEEDHM Cn1nnc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)ccc21 ZINC000826367279 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COc1cc(-c2nn[n-]n2)ccc1CN1CCCC(C)(C)[C@@H]1C#N ZINC001609334010 1351936225 /nfs/dbraw/zinc/93/62/25/1351936225.db2.gz QTPPLZJGGIYPOH-HNNXBMFYSA-N -1 3 326.404 2.389 20 30 EEEDHM N#Cc1cc(NC(=O)[C@@H]2Cc3ccc(F)cc32)ccc1-c1nnn[n-]1 ZINC001609497962 1351999464 /nfs/dbraw/zinc/99/94/64/1351999464.db2.gz RGROISDSBPCSAU-OAHLLOKOSA-N -1 3 334.314 2.156 20 30 EEEDHM N#Cc1cc(NC(=O)[C@@H]2Cc3ccc(F)cc32)ccc1-c1nn[n-]n1 ZINC001609497962 1351999467 /nfs/dbraw/zinc/99/94/67/1351999467.db2.gz RGROISDSBPCSAU-OAHLLOKOSA-N -1 3 334.314 2.156 20 30 EEEDHM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609499538 1351999999 /nfs/dbraw/zinc/99/99/99/1351999999.db2.gz WEALLLMYFLKYON-KRWDZBQOSA-N -1 3 344.378 2.085 20 30 EEEDHM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609499538 1352000002 /nfs/dbraw/zinc/00/00/02/1352000002.db2.gz WEALLLMYFLKYON-KRWDZBQOSA-N -1 3 344.378 2.085 20 30 EEEDHM N#Cc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1F ZINC001609499178 1352000312 /nfs/dbraw/zinc/00/03/12/1352000312.db2.gz WCQZEEFGITXYDD-UHFFFAOYSA-N -1 3 344.256 2.408 20 30 EEEDHM N#Cc1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1F ZINC001609499178 1352000315 /nfs/dbraw/zinc/00/03/15/1352000315.db2.gz WCQZEEFGITXYDD-UHFFFAOYSA-N -1 3 344.256 2.408 20 30 EEEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C(F)F)n(C)n1 ZINC001343510273 1337335463 /nfs/dbraw/zinc/33/54/63/1337335463.db2.gz PYKHHKNUNXDPLB-VIFPVBQESA-N -1 3 348.309 2.327 20 30 EEEDHM CN(CCc1cccc(-c2nnn[n-]2)c1)c1c(C#N)cccc1[N+](=O)[O-] ZINC001579231788 1344355426 /nfs/dbraw/zinc/35/54/26/1344355426.db2.gz MVZDDIZLOCBZDO-UHFFFAOYSA-N -1 3 349.354 2.325 20 30 EEEDHM CN(CCc1cccc(-c2nn[n-]n2)c1)c1c(C#N)cccc1[N+](=O)[O-] ZINC001579231788 1344355427 /nfs/dbraw/zinc/35/54/27/1344355427.db2.gz MVZDDIZLOCBZDO-UHFFFAOYSA-N -1 3 349.354 2.325 20 30 EEEDHM COc1ccc(NC(=O)c2ccc(C#N)cc2C)cc1-c1nnn[n-]1 ZINC001580042238 1344455863 /nfs/dbraw/zinc/45/58/63/1344455863.db2.gz VOLNSIHGZRMWJQ-UHFFFAOYSA-N -1 3 334.339 2.308 20 30 EEEDHM COc1ccc(NC(=O)c2ccc(C#N)cc2C)cc1-c1nn[n-]n1 ZINC001580042238 1344455867 /nfs/dbraw/zinc/45/58/67/1344455867.db2.gz VOLNSIHGZRMWJQ-UHFFFAOYSA-N -1 3 334.339 2.308 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)OCc1ccc(C#N)cn1 ZINC001580610491 1344542946 /nfs/dbraw/zinc/54/29/46/1344542946.db2.gz QEFIYSLYUDOBPZ-UHFFFAOYSA-N -1 3 334.339 2.107 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)OCc1ccc(C#N)cn1 ZINC001580610491 1344542952 /nfs/dbraw/zinc/54/29/52/1344542952.db2.gz QEFIYSLYUDOBPZ-UHFFFAOYSA-N -1 3 334.339 2.107 20 30 EEEDHM Cc1cc(C(=O)NC(C)(C)c2cccc(-c3nnn[n-]3)c2)ncc1C#N ZINC001580816376 1344562991 /nfs/dbraw/zinc/56/29/91/1344562991.db2.gz SLNQFKLEAUGCKH-UHFFFAOYSA-N -1 3 347.382 2.107 20 30 EEEDHM Cc1cc(C(=O)NC(C)(C)c2cccc(-c3nn[n-]n3)c2)ncc1C#N ZINC001580816376 1344562995 /nfs/dbraw/zinc/56/29/95/1344562995.db2.gz SLNQFKLEAUGCKH-UHFFFAOYSA-N -1 3 347.382 2.107 20 30 EEEDHM Cc1cc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc(C)c1C#N ZINC001580870403 1344566759 /nfs/dbraw/zinc/56/67/59/1344566759.db2.gz ANVTYOUSFCHWGP-UHFFFAOYSA-N -1 3 332.367 2.285 20 30 EEEDHM Cc1cc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc(C)c1C#N ZINC001580870403 1344566760 /nfs/dbraw/zinc/56/67/60/1344566760.db2.gz ANVTYOUSFCHWGP-UHFFFAOYSA-N -1 3 332.367 2.285 20 30 EEEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCCc1cccc(F)c1 ZINC001581863577 1344681651 /nfs/dbraw/zinc/68/16/51/1344681651.db2.gz VVCAAYXWMZJMOP-UHFFFAOYSA-N -1 3 341.375 2.189 20 30 EEEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCCc1cccc(F)c1 ZINC001581863577 1344681654 /nfs/dbraw/zinc/68/16/54/1344681654.db2.gz VVCAAYXWMZJMOP-UHFFFAOYSA-N -1 3 341.375 2.189 20 30 EEEDHM C#C[C@@H](NC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC001588327663 1348887095 /nfs/dbraw/zinc/88/70/95/1348887095.db2.gz OHNDPBBDRCRPOM-QGZVFWFLSA-N -1 3 343.390 2.389 20 30 EEEDHM C#C[C@@H](NC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC001588327663 1348887101 /nfs/dbraw/zinc/88/71/01/1348887101.db2.gz OHNDPBBDRCRPOM-QGZVFWFLSA-N -1 3 343.390 2.389 20 30 EEEDHM C#C[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC001588326296 1348887127 /nfs/dbraw/zinc/88/71/27/1348887127.db2.gz JADPFNNAIOHZLQ-LLVKDONJSA-N -1 3 334.383 2.026 20 30 EEEDHM C#C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F)C(C)(C)C ZINC001588330329 1348889312 /nfs/dbraw/zinc/88/93/12/1348889312.db2.gz ZENCNBMEVRBHCN-GFCCVEGCSA-N -1 3 334.330 2.314 20 30 EEEDHM C#C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F)C(C)(C)C ZINC001588330329 1348889313 /nfs/dbraw/zinc/88/93/13/1348889313.db2.gz ZENCNBMEVRBHCN-GFCCVEGCSA-N -1 3 334.330 2.314 20 30 EEEDHM C#CCN(Cc1ccccc1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588352143 1348895620 /nfs/dbraw/zinc/89/56/20/1348895620.db2.gz UYSGUCRPUYSSEN-UHFFFAOYSA-N -1 3 331.379 2.071 20 30 EEEDHM C#CCN(Cc1ccccc1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588352143 1348895625 /nfs/dbraw/zinc/89/56/25/1348895625.db2.gz UYSGUCRPUYSSEN-UHFFFAOYSA-N -1 3 331.379 2.071 20 30 EEEDHM C#Cc1ccc(CNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588373241 1348896111 /nfs/dbraw/zinc/89/61/11/1348896111.db2.gz FIDBMTNZCRSEDN-ZDUSSCGKSA-N -1 3 346.394 2.408 20 30 EEEDHM C#Cc1ccc(CNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588373241 1348896116 /nfs/dbraw/zinc/89/61/16/1348896116.db2.gz FIDBMTNZCRSEDN-ZDUSSCGKSA-N -1 3 346.394 2.408 20 30 EEEDHM C(=NN[C@@H]1CCCSC1)c1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC001588381874 1348898795 /nfs/dbraw/zinc/89/87/95/1348898795.db2.gz VKXXVILMHWATOZ-GFCCVEGCSA-N -1 3 327.417 2.167 20 30 EEEDHM C(=NN[C@@H]1CCCSC1)c1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC001588381874 1348898799 /nfs/dbraw/zinc/89/87/99/1348898799.db2.gz VKXXVILMHWATOZ-GFCCVEGCSA-N -1 3 327.417 2.167 20 30 EEEDHM C=CC(C)(C)CC(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001588484151 1348909251 /nfs/dbraw/zinc/90/92/51/1348909251.db2.gz YMOLJWYXENVBPX-LBPRGKRZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CC(C)(C)CC(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001588484151 1348909255 /nfs/dbraw/zinc/90/92/55/1348909255.db2.gz YMOLJWYXENVBPX-LBPRGKRZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=C[C@](C)(CC)C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588493084 1348909541 /nfs/dbraw/zinc/90/95/41/1348909541.db2.gz AGTYUVPTLCDGJO-YVEFUNNKSA-N -1 3 343.435 2.028 20 30 EEEDHM C=C[C@](C)(CC)C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588493084 1348909545 /nfs/dbraw/zinc/90/95/45/1348909545.db2.gz AGTYUVPTLCDGJO-YVEFUNNKSA-N -1 3 343.435 2.028 20 30 EEEDHM C=C[C@@](C)(CCOC)C(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588499623 1348909961 /nfs/dbraw/zinc/90/99/61/1348909961.db2.gz LBBSTDPPHUXHEM-KRWDZBQOSA-N -1 3 346.387 2.147 20 30 EEEDHM C=C[C@@](C)(CCOC)C(=O)OCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588499623 1348909964 /nfs/dbraw/zinc/90/99/64/1348909964.db2.gz LBBSTDPPHUXHEM-KRWDZBQOSA-N -1 3 346.387 2.147 20 30 EEEDHM C=C[C@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001588527278 1348913980 /nfs/dbraw/zinc/91/39/80/1348913980.db2.gz FQFMYCNMAVBOEW-AWEZNQCLSA-N -1 3 326.404 2.113 20 30 EEEDHM C=C[C@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001588527278 1348913984 /nfs/dbraw/zinc/91/39/84/1348913984.db2.gz FQFMYCNMAVBOEW-AWEZNQCLSA-N -1 3 326.404 2.113 20 30 EEEDHM C=CCC(C)(C)C(=O)N[C@@H](C)CNc1snc(C)c1-c1nnn[n-]1 ZINC001588538795 1348914515 /nfs/dbraw/zinc/91/45/15/1348914515.db2.gz YTSOVSJHPCBEFA-VIFPVBQESA-N -1 3 349.464 2.151 20 30 EEEDHM C=CCCC(C)(C)NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001588577697 1348919846 /nfs/dbraw/zinc/91/98/46/1348919846.db2.gz LNZCNTMFVMJTOJ-UHFFFAOYSA-N -1 3 344.419 2.290 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCOC[C@@H]1C ZINC001588639040 1348925455 /nfs/dbraw/zinc/92/54/55/1348925455.db2.gz MVPREXFGNATMAY-BBRMVZONSA-N -1 3 341.415 2.054 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCOC[C@@H]1C ZINC001588639040 1348925457 /nfs/dbraw/zinc/92/54/57/1348925457.db2.gz MVPREXFGNATMAY-BBRMVZONSA-N -1 3 341.415 2.054 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1cc(Cl)cn1 ZINC001588652400 1348926830 /nfs/dbraw/zinc/92/68/30/1348926830.db2.gz YACVZMRKKKSPJV-UHFFFAOYSA-N -1 3 329.795 2.362 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1cc(Cl)cn1 ZINC001588652400 1348926834 /nfs/dbraw/zinc/92/68/34/1348926834.db2.gz YACVZMRKKKSPJV-UHFFFAOYSA-N -1 3 329.795 2.362 20 30 EEEDHM C=CCNc1nnc(SCc2ccncc2-c2nnn[n-]2)s1 ZINC001588665682 1348928387 /nfs/dbraw/zinc/92/83/87/1348928387.db2.gz PMWWDBWNZJLMTM-UHFFFAOYSA-N -1 3 332.418 2.003 20 30 EEEDHM C=CCNc1nnc(SCc2ccncc2-c2nn[n-]n2)s1 ZINC001588665682 1348928393 /nfs/dbraw/zinc/92/83/93/1348928393.db2.gz PMWWDBWNZJLMTM-UHFFFAOYSA-N -1 3 332.418 2.003 20 30 EEEDHM C[C@H](CC(C)(C)C#N)OC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001589797216 1349046113 /nfs/dbraw/zinc/04/61/13/1349046113.db2.gz XPTXKVXTIRFVOD-LLVKDONJSA-N -1 3 329.360 2.117 20 30 EEEDHM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC001590032528 1349118941 /nfs/dbraw/zinc/11/89/41/1349118941.db2.gz DCGWOENFUNGUOC-BZNIZROVSA-N -1 3 344.444 2.402 20 30 EEEDHM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC001590032528 1349118949 /nfs/dbraw/zinc/11/89/49/1349118949.db2.gz DCGWOENFUNGUOC-BZNIZROVSA-N -1 3 344.444 2.402 20 30 EEEDHM C[C@@]1(C#N)CN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CCO1 ZINC001590056437 1349135741 /nfs/dbraw/zinc/13/57/41/1349135741.db2.gz LBIOJMLAGBUQHI-CYBMUJFWSA-N -1 3 338.293 2.004 20 30 EEEDHM C[C@@]1(C#N)CN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCO1 ZINC001590056437 1349135750 /nfs/dbraw/zinc/13/57/50/1349135750.db2.gz LBIOJMLAGBUQHI-CYBMUJFWSA-N -1 3 338.293 2.004 20 30 EEEDHM C[C@H]1CCC[C@](C#N)(NC(=O)c2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001590241540 1349220385 /nfs/dbraw/zinc/22/03/85/1349220385.db2.gz WZRPBEUDDCYQID-QFYYESIMSA-N -1 3 328.351 2.208 20 30 EEEDHM C[C@H]1CCC[C@](C#N)(NC(=O)c2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001590241540 1349220389 /nfs/dbraw/zinc/22/03/89/1349220389.db2.gz WZRPBEUDDCYQID-QFYYESIMSA-N -1 3 328.351 2.208 20 30 EEEDHM CCC(=O)c1cccc(-c2nnn[n-]2)c1OCc1nc(C#N)cs1 ZINC001590367773 1349287418 /nfs/dbraw/zinc/28/74/18/1349287418.db2.gz YBXBBSKPAKTXGF-UHFFFAOYSA-N -1 3 340.368 2.367 20 30 EEEDHM CCC(=O)c1cccc(-c2nn[n-]n2)c1OCc1nc(C#N)cs1 ZINC001590367773 1349287421 /nfs/dbraw/zinc/28/74/21/1349287421.db2.gz YBXBBSKPAKTXGF-UHFFFAOYSA-N -1 3 340.368 2.367 20 30 EEEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(C#N)n1 ZINC001590629355 1349380636 /nfs/dbraw/zinc/38/06/36/1349380636.db2.gz APYCVSUFWZVNIY-UHFFFAOYSA-N -1 3 347.382 2.186 20 30 EEEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(C#N)n1 ZINC001590629355 1349380641 /nfs/dbraw/zinc/38/06/41/1349380641.db2.gz APYCVSUFWZVNIY-UHFFFAOYSA-N -1 3 347.382 2.186 20 30 EEEDHM COc1cc(OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)ccc1C#N ZINC001591549346 1349504620 /nfs/dbraw/zinc/50/46/20/1349504620.db2.gz IKINWIILXVYXRE-UHFFFAOYSA-N -1 3 349.350 2.285 20 30 EEEDHM COc1cc(OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)ccc1C#N ZINC001591549346 1349504627 /nfs/dbraw/zinc/50/46/27/1349504627.db2.gz IKINWIILXVYXRE-UHFFFAOYSA-N -1 3 349.350 2.285 20 30 EEEDHM Cc1cc(COC(=O)C2(C#N)CCSCC2)ccc1-c1nnn[n-]1 ZINC001591970021 1349572325 /nfs/dbraw/zinc/57/23/25/1349572325.db2.gz BXMWUHJNEHDOKX-UHFFFAOYSA-N -1 3 343.412 2.255 20 30 EEEDHM Cc1cc(COC(=O)C2(C#N)CCSCC2)ccc1-c1nn[n-]n1 ZINC001591970021 1349572333 /nfs/dbraw/zinc/57/23/33/1349572333.db2.gz BXMWUHJNEHDOKX-UHFFFAOYSA-N -1 3 343.412 2.255 20 30 EEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001592340901 1349623040 /nfs/dbraw/zinc/62/30/40/1349623040.db2.gz LPFLNGSERQEXON-AAEUAGOBSA-N -1 3 341.325 2.292 20 30 EEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001592340901 1349623041 /nfs/dbraw/zinc/62/30/41/1349623041.db2.gz LPFLNGSERQEXON-AAEUAGOBSA-N -1 3 341.325 2.292 20 30 EEEDHM N#CCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001592672033 1349703663 /nfs/dbraw/zinc/70/36/63/1349703663.db2.gz VPQYLOKBVJQOOQ-UHFFFAOYSA-N -1 3 334.339 2.298 20 30 EEEDHM N#CCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001592672033 1349703667 /nfs/dbraw/zinc/70/36/67/1349703667.db2.gz VPQYLOKBVJQOOQ-UHFFFAOYSA-N -1 3 334.339 2.298 20 30 EEEDHM N#Cc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC001592695338 1349707899 /nfs/dbraw/zinc/70/78/99/1349707899.db2.gz NDDCAARAGASIAT-UHFFFAOYSA-N -1 3 331.383 2.065 20 30 EEEDHM N#Cc1ncccc1NCCSCc1ccccc1-c1nnn[n-]1 ZINC001592709550 1349710552 /nfs/dbraw/zinc/71/05/52/1349710552.db2.gz ICKHWYIFKMPXGD-UHFFFAOYSA-N -1 3 337.412 2.479 20 30 EEEDHM N#Cc1ncccc1NCCSCc1ccccc1-c1nn[n-]n1 ZINC001592709550 1349710554 /nfs/dbraw/zinc/71/05/54/1349710554.db2.gz ICKHWYIFKMPXGD-UHFFFAOYSA-N -1 3 337.412 2.479 20 30 EEEDHM C#C[C@@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001602688262 1350573894 /nfs/dbraw/zinc/57/38/94/1350573894.db2.gz IIUOAAGADZDQOC-MRXNPFEDSA-N -1 3 341.415 2.190 20 30 EEEDHM C#C[C@@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001602688262 1350573896 /nfs/dbraw/zinc/57/38/96/1350573896.db2.gz IIUOAAGADZDQOC-MRXNPFEDSA-N -1 3 341.415 2.190 20 30 EEEDHM C#C[C@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)C1 ZINC001602696439 1350574735 /nfs/dbraw/zinc/57/47/35/1350574735.db2.gz IRPYQTBNKOZTNB-VIFPVBQESA-N -1 3 332.314 2.022 20 30 EEEDHM C#C[C@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)C1 ZINC001602696439 1350574737 /nfs/dbraw/zinc/57/47/37/1350574737.db2.gz IRPYQTBNKOZTNB-VIFPVBQESA-N -1 3 332.314 2.022 20 30 EEEDHM C#CCOCCOC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001602731716 1350577899 /nfs/dbraw/zinc/57/78/99/1350577899.db2.gz BHEWLAFVJPAPDR-UHFFFAOYSA-N -1 3 342.380 2.196 20 30 EEEDHM C#CCOCCOC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001602731716 1350577902 /nfs/dbraw/zinc/57/79/02/1350577902.db2.gz BHEWLAFVJPAPDR-UHFFFAOYSA-N -1 3 342.380 2.196 20 30 EEEDHM C=C[C@H](CC)CC(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001602799747 1350588166 /nfs/dbraw/zinc/58/81/66/1350588166.db2.gz GWPYQACWBFUOLS-QWHCGFSZSA-N -1 3 343.435 2.028 20 30 EEEDHM C=C[C@H](CC)CC(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001602799747 1350588169 /nfs/dbraw/zinc/58/81/69/1350588169.db2.gz GWPYQACWBFUOLS-QWHCGFSZSA-N -1 3 343.435 2.028 20 30 EEEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001602825637 1350592075 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335.371 2.112 20 30 EEEDHM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1CC(=O)N(C)C1(C#N)CCCCC1 ZINC001604653836 1350977673 /nfs/dbraw/zinc/97/76/73/1350977673.db2.gz CARAYOWJRWVRMF-ZIAGYGMSSA-N -1 3 335.448 2.245 20 30 EEEDHM CN(CCC(C)(C)C)C(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001604738625 1350994518 /nfs/dbraw/zinc/99/45/18/1350994518.db2.gz VSYGHMLKJKBRCT-OAHLLOKOSA-N -1 3 340.431 2.444 20 30 EEEDHM Cc1c(NC(=O)c2ncc(C#N)cc2Cl)cccc1-c1nnn[n-]1 ZINC001605499852 1351172632 /nfs/dbraw/zinc/17/26/32/1351172632.db2.gz DWCRCGQYWCJGKW-UHFFFAOYSA-N -1 3 339.746 2.348 20 30 EEEDHM Cc1c(NC(=O)c2ncc(C#N)cc2Cl)cccc1-c1nn[n-]n1 ZINC001605499852 1351172634 /nfs/dbraw/zinc/17/26/34/1351172634.db2.gz DWCRCGQYWCJGKW-UHFFFAOYSA-N -1 3 339.746 2.348 20 30 EEEDHM Cc1nnc(SCc2ccc(-c3nnn[n-]3)s2)c(C#N)c1C ZINC001606124056 1351274979 /nfs/dbraw/zinc/27/49/79/1351274979.db2.gz MZCSYUQKJOZPOL-UHFFFAOYSA-N -1 3 329.414 2.499 20 30 EEEDHM N#CC[C@@H]1CCCN(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC001606345809 1351295980 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Cc1ccc2oc(C[N-]S(=O)(=O)c3cncc(C#N)c3)cc2c1 ZINC001656031541 1354194304 /nfs/dbraw/zinc/19/43/04/1354194304.db2.gz BWTAZECDYWFMAP-UHFFFAOYSA-N -1 3 327.365 2.486 20 30 EEEDHM CCCCCCCCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001072718115 1370775351 /nfs/dbraw/zinc/77/53/51/1370775351.db2.gz VDMNBHRODVIVIN-DZGCQCFKSA-N -1 3 335.452 2.132 20 30 EEEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)nc1 ZINC000780888928 1371171760 /nfs/dbraw/zinc/17/17/60/1371171760.db2.gz YLOWELUMIFZIGE-UHFFFAOYSA-N -1 3 343.195 2.134 20 30 EEEDHM CCCCc1ccc(C(=O)CCC(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000848139375 1373086674 /nfs/dbraw/zinc/08/66/74/1373086674.db2.gz UZVNTHUNHQICJK-INIZCTEOSA-N -1 3 346.427 2.489 20 30 EEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](CCO)CC1 ZINC001362880135 1373467574 /nfs/dbraw/zinc/46/75/74/1373467574.db2.gz GZNYBERGFFWSOL-OAHLLOKOSA-N -1 3 345.443 2.219 20 30 EEEDHM C=C(Cl)CN[C@@H](CNC(=O)c1n[n-]c2ccccc2c1=O)C(C)C ZINC001367480107 1374174864 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COc1ccc(NC(=O)c2cc(-c3nnn[n-]3)ccc2F)cc1C#N ZINC001580041418 1403814438 /nfs/dbraw/zinc/81/44/38/1403814438.db2.gz FOZNLYPKKBTROG-UHFFFAOYSA-N -1 3 338.302 2.138 20 30 EEEDHM COc1ccc(NC(=O)c2cc(-c3nn[n-]n3)ccc2F)cc1C#N ZINC001580041418 1403814453 /nfs/dbraw/zinc/81/44/53/1403814453.db2.gz FOZNLYPKKBTROG-UHFFFAOYSA-N -1 3 338.302 2.138 20 30 EEEDHM N#Cc1ccc(F)c(NC(=O)c2ccc(-c3nnn[n-]3)c(Cl)n2)c1 ZINC001592693706 1404715457 /nfs/dbraw/zinc/71/54/57/1404715457.db2.gz XOGCBOPWFCCIGS-UHFFFAOYSA-N -1 3 343.709 2.178 20 30 EEEDHM N#C[C@]1(C(=O)OCc2ccncc2-c2nnn[n-]2)CC2CCC1CC2 ZINC001606340407 1404798161 /nfs/dbraw/zinc/79/81/61/1404798161.db2.gz OBJJZGOCGXXLPM-FWXSHLFISA-N -1 3 338.371 2.025 20 30 EEEDHM N#C[C@]1(C(=O)OCc2ccncc2-c2nn[n-]n2)CC2CCC1CC2 ZINC001606340407 1404798169 /nfs/dbraw/zinc/79/81/69/1404798169.db2.gz OBJJZGOCGXXLPM-FWXSHLFISA-N -1 3 338.371 2.025 20 30 EEEDHM C=CCCOCC(=O)N(C)C[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001755907161 1407980905 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C[C@H]1CCc2[nH]c3ccc(C(=O)N[C@@H]4CCCN([O-])C4=O)cc3c2C1 ZINC000816754762 784242919 /nfs/dbraw/zinc/24/29/19/784242919.db2.gz LGKRPVAWHFUQGX-APPDUMDISA-N -1 3 341.411 2.403 20 30 EEEDHM Cc1nc(CCC(=O)N[C@@H]2CCCN([O-])C2=O)oc1-c1ccccc1 ZINC000816758006 784246074 /nfs/dbraw/zinc/24/60/74/784246074.db2.gz GRZHDGDXUIZYDG-CQSZACIVSA-N -1 3 343.383 2.079 20 30 EEEDHM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816757872 784247098 /nfs/dbraw/zinc/24/70/98/784247098.db2.gz CRAGZVZXHAJCQY-WFASDCNBSA-N -1 3 334.416 2.248 20 30 EEEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000908402372 785386167 /nfs/dbraw/zinc/38/61/67/785386167.db2.gz GNZNYWMILTWFEF-SECBINFHSA-N -1 3 334.706 2.051 20 30 EEEDHM C#CCCOc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819698044 785646552 /nfs/dbraw/zinc/64/65/52/785646552.db2.gz QQTLVOABUJDNJA-UHFFFAOYSA-N -1 3 346.394 2.393 20 30 EEEDHM C#CCCOc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819698044 785646557 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328.372 2.372 20 30 EEEDHM C#CCCCCCC(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823841368 609132985 /nfs/dbraw/zinc/13/29/85/609132985.db2.gz LPNHFKJHHHMMPX-UHFFFAOYSA-N -1 3 328.372 2.372 20 30 EEEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1F ZINC000823953746 609277043 /nfs/dbraw/zinc/27/70/43/609277043.db2.gz OEJPDKQLQBTUNR-UHFFFAOYSA-N -1 3 335.346 2.391 20 30 EEEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1F ZINC000823953746 609277044 /nfs/dbraw/zinc/27/70/44/609277044.db2.gz OEJPDKQLQBTUNR-UHFFFAOYSA-N -1 3 335.346 2.391 20 30 EEEDHM C=C(C)CN(C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000823872885 609370275 /nfs/dbraw/zinc/37/02/75/609370275.db2.gz FJDIKSAYFNCUDZ-JTQLQIEISA-N -1 3 346.460 2.252 20 30 EEEDHM C=C(C)CN(C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000823872885 609370278 /nfs/dbraw/zinc/37/02/78/609370278.db2.gz FJDIKSAYFNCUDZ-JTQLQIEISA-N -1 3 346.460 2.252 20 30 EEEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1c(F)cccc1F ZINC000826383481 609513799 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C#CCNC(=O)[C@@H]1CC12CCN(C(=O)c1cc([O-])ccc1Cl)CC2 ZINC001269983462 1184766311 /nfs/dbraw/zinc/76/63/11/1184766311.db2.gz QXLDELKVVFMNBG-AWEZNQCLSA-N -1 3 346.814 2.037 20 30 EEEDHM C#CCN1c2ccccc2[C@@]2(CCN(C(=O)c3ccc([O-])cc3)C2)C1=O ZINC001270960015 1185774740 /nfs/dbraw/zinc/77/47/40/1185774740.db2.gz HNTPEZGEURUWLV-NRFANRHFSA-N -1 3 346.386 2.156 20 30 EEEDHM C=C(C)CN1C(=O)COCC12CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001272636046 1190942555 /nfs/dbraw/zinc/94/25/55/1190942555.db2.gz AMEZKGVVMIXTPJ-UHFFFAOYSA-N -1 3 336.819 2.035 20 30 EEEDHM COc1cc(C(=O)/C=C/c2cn(C[C@@H]3CCCO3)nn2)ccc1[O-] ZINC000865218630 1198128427 /nfs/dbraw/zinc/12/84/27/1198128427.db2.gz UEPCHNKMCZONLD-DYLGSBMWSA-N -1 3 329.356 2.067 20 30 EEEDHM CCS(=O)(=O)CCCCCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187042 1199916580 /nfs/dbraw/zinc/91/65/80/1199916580.db2.gz IDVNVTSHSQZKPR-UHFFFAOYSA-N -1 3 325.386 2.026 20 30 EEEDHM CS(=O)(=O)c1ccc(COC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000811188103 1199917171 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C=C(C)C(C)(C)C(=O)N1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001588393845 1348900180 /nfs/dbraw/zinc/90/01/80/1348900180.db2.gz REHGLEUMOZECLI-UHFFFAOYSA-N -1 3 346.460 2.179 20 30 EEEDHM C=C(C)CCC(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588411828 1348902000 /nfs/dbraw/zinc/90/20/00/1348902000.db2.gz KXSUFOFLSMYCKC-GFCCVEGCSA-N -1 3 344.394 2.375 20 30 EEEDHM C=C(C)CCC(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588411828 1348902004 /nfs/dbraw/zinc/90/20/04/1348902004.db2.gz KXSUFOFLSMYCKC-GFCCVEGCSA-N -1 3 344.394 2.375 20 30 EEEDHM C=C[C@H](CC)CC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588521414 1348912870 /nfs/dbraw/zinc/91/28/70/1348912870.db2.gz NAEQLPDVAFIWTG-CJNGLKHVSA-N -1 3 341.415 2.369 20 30 EEEDHM C=C[C@H](CC)CC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588521414 1348912873 /nfs/dbraw/zinc/91/28/73/1348912873.db2.gz NAEQLPDVAFIWTG-CJNGLKHVSA-N -1 3 341.415 2.369 20 30 EEEDHM C=CC[C@@H](CC)NC(=O)Nc1cc(OC)c(-c2nnn[n-]2)cc1F ZINC001588541732 1348914539 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C=CCC[C@@H]1CCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001588579791 1348919821 /nfs/dbraw/zinc/91/98/21/1348919821.db2.gz SLLZPIPQKZZNAR-OAHLLOKOSA-N -1 3 326.404 2.236 20 30 EEEDHM C=CCCCC(=O)NC[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588586166 1348921014 /nfs/dbraw/zinc/92/10/14/1348921014.db2.gz FUJXOKXDVKUXPJ-NSHDSACASA-N -1 3 332.383 2.279 20 30 EEEDHM C=CCCCC(=O)NC[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588586166 1348921016 /nfs/dbraw/zinc/92/10/16/1348921016.db2.gz FUJXOKXDVKUXPJ-NSHDSACASA-N -1 3 332.383 2.279 20 30 EEEDHM C=CCCCC(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588582806 1348921111 /nfs/dbraw/zinc/92/11/11/1348921111.db2.gz OSKGQRDHEMGNLT-GFCCVEGCSA-N -1 3 343.435 2.185 20 30 EEEDHM C=CCCCC(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588582806 1348921112 /nfs/dbraw/zinc/92/11/12/1348921112.db2.gz OSKGQRDHEMGNLT-GFCCVEGCSA-N -1 3 343.435 2.185 20 30 EEEDHM C=CCCCS(=O)(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001588600716 1348923385 /nfs/dbraw/zinc/92/33/85/1348923385.db2.gz MVPFRLIVGURTBI-UHFFFAOYSA-N -1 3 349.460 2.373 20 30 EEEDHM C=CCCCS(=O)(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001588600716 1348923390 /nfs/dbraw/zinc/92/33/90/1348923390.db2.gz MVPFRLIVGURTBI-UHFFFAOYSA-N -1 3 349.460 2.373 20 30 EEEDHM C=CCN(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1[C@H]1C[C@@H]1C ZINC001588626592 1348924275 /nfs/dbraw/zinc/92/42/75/1348924275.db2.gz MCACZEIDHVZJHK-FZMZJTMJSA-N -1 3 336.403 2.328 20 30 EEEDHM C=CCN(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1[C@H]1C[C@@H]1C ZINC001588626592 1348924279 /nfs/dbraw/zinc/92/42/79/1348924279.db2.gz MCACZEIDHVZJHK-FZMZJTMJSA-N -1 3 336.403 2.328 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001588641617 1348926501 /nfs/dbraw/zinc/92/65/01/1348926501.db2.gz IMSHFXCKWFPPAH-MUJYYYPQSA-N -1 3 338.415 2.363 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001588641617 1348926504 /nfs/dbraw/zinc/92/65/04/1348926504.db2.gz IMSHFXCKWFPPAH-MUJYYYPQSA-N -1 3 338.415 2.363 20 30 EEEDHM CC(=NNC(=S)NC1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001588776429 1348935379 /nfs/dbraw/zinc/93/53/79/1348935379.db2.gz NJLMBBCMAISACN-UHFFFAOYSA-N -1 3 343.460 2.388 20 30 EEEDHM CC(=NNC(=S)NC1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001588776429 1348935382 /nfs/dbraw/zinc/93/53/82/1348935382.db2.gz NJLMBBCMAISACN-UHFFFAOYSA-N -1 3 343.460 2.388 20 30 EEEDHM CC(C)(CC#N)CNC(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001589267107 1348976686 /nfs/dbraw/zinc/97/66/86/1348976686.db2.gz IFFWSAYTYWIEBY-UHFFFAOYSA-N -1 3 326.404 2.200 20 30 EEEDHM CC(C)(CC#N)CNC(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001589267107 1348976690 /nfs/dbraw/zinc/97/66/90/1348976690.db2.gz IFFWSAYTYWIEBY-UHFFFAOYSA-N -1 3 326.404 2.200 20 30 EEEDHM CCC(=NNC(=S)NCCC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590358850 1349284414 /nfs/dbraw/zinc/28/44/14/1349284414.db2.gz IEYMWHZTKMMJAS-UHFFFAOYSA-N -1 3 345.476 2.491 20 30 EEEDHM CCC(=NNC(=S)NCCC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590358850 1349284419 /nfs/dbraw/zinc/28/44/19/1349284419.db2.gz IEYMWHZTKMMJAS-UHFFFAOYSA-N -1 3 345.476 2.491 20 30 EEEDHM CCN(CC1CCC1)C(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590690653 1349391985 /nfs/dbraw/zinc/39/19/85/1349391985.db2.gz YWFNMCFHKYUDHO-INIZCTEOSA-N -1 3 338.415 2.198 20 30 EEEDHM CN(C)c1cc(C(=O)OCc2ccc(C#N)cc2)cc(-c2nnn[n-]2)c1 ZINC001591028826 1349430899 /nfs/dbraw/zinc/43/08/99/1349430899.db2.gz UIZFDPASIMAHJR-UHFFFAOYSA-N -1 3 348.366 2.161 20 30 EEEDHM CN(C)c1cc(C(=O)OCc2ccc(C#N)cc2)cc(-c2nn[n-]n2)c1 ZINC001591028826 1349430905 /nfs/dbraw/zinc/43/09/05/1349430905.db2.gz UIZFDPASIMAHJR-UHFFFAOYSA-N -1 3 348.366 2.161 20 30 EEEDHM CNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1sccc1C#N ZINC001591225006 1349451062 /nfs/dbraw/zinc/45/10/62/1349451062.db2.gz KMRYXBRXLCMERT-UHFFFAOYSA-N -1 3 325.357 2.094 20 30 EEEDHM COc1cc(F)cc(NN=Cc2ccc(-c3nnn[n-]3)c(OC)c2)c1 ZINC001591540847 1349503304 /nfs/dbraw/zinc/50/33/04/1349503304.db2.gz QFTVINCJRSBAJG-UHFFFAOYSA-N -1 3 342.334 2.469 20 30 EEEDHM COc1cc(F)cc(NN=Cc2ccc(-c3nn[n-]n3)c(OC)c2)c1 ZINC001591540847 1349503310 /nfs/dbraw/zinc/50/33/10/1349503310.db2.gz QFTVINCJRSBAJG-UHFFFAOYSA-N -1 3 342.334 2.469 20 30 EEEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1ccc(Cl)nc1 ZINC001592686769 1349705249 /nfs/dbraw/zinc/70/52/49/1349705249.db2.gz SNLFEFNPPHGVQO-UHFFFAOYSA-N -1 3 344.791 2.056 20 30 EEEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1ccc(Cl)nc1 ZINC001592686769 1349705254 /nfs/dbraw/zinc/70/52/54/1349705254.db2.gz SNLFEFNPPHGVQO-UHFFFAOYSA-N -1 3 344.791 2.056 20 30 EEEDHM N#Cc1cc(F)cc(NC(=O)c2ccc(-c3nnn[n-]3)c(Cl)n2)c1 ZINC001592689637 1349707015 /nfs/dbraw/zinc/70/70/15/1349707015.db2.gz PPAGAIPRIULZDT-UHFFFAOYSA-N -1 3 343.709 2.178 20 30 EEEDHM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001592697753 1349707831 /nfs/dbraw/zinc/70/78/31/1349707831.db2.gz QJTFVXZTROQLBL-MRXNPFEDSA-N -1 3 348.341 2.295 20 30 EEEDHM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001592697753 1349707833 /nfs/dbraw/zinc/70/78/33/1349707833.db2.gz QJTFVXZTROQLBL-MRXNPFEDSA-N -1 3 348.341 2.295 20 30 EEEDHM N#Cc1ncccc1Oc1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001592710009 1349710174 /nfs/dbraw/zinc/71/01/74/1349710174.db2.gz SSNZGXDJLXLTKQ-UHFFFAOYSA-N -1 3 344.132 2.083 20 30 EEEDHM N#Cc1ncccc1Oc1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001592710009 1349710177 /nfs/dbraw/zinc/71/01/77/1349710177.db2.gz SSNZGXDJLXLTKQ-UHFFFAOYSA-N -1 3 344.132 2.083 20 30 EEEDHM N#CCn1c(C(=O)N2CCCc3c(=O)[n-]cnc32)cc2ccccc21 ZINC001597572784 1349928277 /nfs/dbraw/zinc/92/82/77/1349928277.db2.gz FHMVGXDCRJGUEI-UHFFFAOYSA-N -1 3 333.351 2.253 20 30 EEEDHM C#C[C@@H](NC(=O)Nc1ccc(OC)c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001602689905 1350573806 /nfs/dbraw/zinc/57/38/06/1350573806.db2.gz WJVXAGPYUQYJFE-CYBMUJFWSA-N -1 3 328.376 2.045 20 30 EEEDHM C#C[C@@H](NC(=O)Nc1ccc(OC)c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001602689905 1350573810 /nfs/dbraw/zinc/57/38/10/1350573810.db2.gz WJVXAGPYUQYJFE-CYBMUJFWSA-N -1 3 328.376 2.045 20 30 EEEDHM C#CC1CCN(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)CC1 ZINC001602696177 1350574665 /nfs/dbraw/zinc/57/46/65/1350574665.db2.gz DJAHISZURYETLS-UHFFFAOYSA-N -1 3 332.314 2.022 20 30 EEEDHM C#CC1CCN(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)CC1 ZINC001602696177 1350574671 /nfs/dbraw/zinc/57/46/71/1350574671.db2.gz DJAHISZURYETLS-UHFFFAOYSA-N -1 3 332.314 2.022 20 30 EEEDHM C#Cc1ccc(NC(=O)NCc2ccc(C)c(-c3nnn[n-]3)c2)cc1 ZINC001602741399 1350578834 /nfs/dbraw/zinc/57/88/34/1350578834.db2.gz JXDQNLIMUJMCAQ-UHFFFAOYSA-N -1 3 332.367 2.478 20 30 EEEDHM C#Cc1ccc(NC(=O)NCc2ccc(C)c(-c3nn[n-]n3)c2)cc1 ZINC001602741399 1350578837 /nfs/dbraw/zinc/57/88/37/1350578837.db2.gz JXDQNLIMUJMCAQ-UHFFFAOYSA-N -1 3 332.367 2.478 20 30 EEEDHM C=CC(C)(C)CCNC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001602786655 1350586107 /nfs/dbraw/zinc/58/61/07/1350586107.db2.gz CCVGWTVTYQNQFK-UHFFFAOYSA-N -1 3 328.420 2.265 20 30 EEEDHM C=CC(C)(C)CCNC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001602786655 1350586113 /nfs/dbraw/zinc/58/61/13/1350586113.db2.gz CCVGWTVTYQNQFK-UHFFFAOYSA-N -1 3 328.420 2.265 20 30 EEEDHM C=CCN(CC(=O)Nc1ccccc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001602850814 1350596078 /nfs/dbraw/zinc/59/60/78/1350596078.db2.gz UTSFBJIBJRXUIO-UHFFFAOYSA-N -1 3 348.410 2.493 20 30 EEEDHM C=CCN(CC(=O)Nc1ccccc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602850814 1350596083 /nfs/dbraw/zinc/59/60/83/1350596083.db2.gz UTSFBJIBJRXUIO-UHFFFAOYSA-N -1 3 348.410 2.493 20 30 EEEDHM CC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC001602906372 1350604043 /nfs/dbraw/zinc/60/40/43/1350604043.db2.gz MQPOXIRYQFGPEA-DDFAGTSDSA-N -1 3 332.383 2.275 20 30 EEEDHM CC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC001602906372 1350604047 /nfs/dbraw/zinc/60/40/47/1350604047.db2.gz MQPOXIRYQFGPEA-DDFAGTSDSA-N -1 3 332.383 2.275 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 ZINC001605161428 1351091932 /nfs/dbraw/zinc/09/19/32/1351091932.db2.gz BMBOFJFVKLAXNC-CMPLNLGQSA-N -1 3 327.344 2.114 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 ZINC001605161428 1351091933 /nfs/dbraw/zinc/09/19/33/1351091933.db2.gz BMBOFJFVKLAXNC-CMPLNLGQSA-N -1 3 327.344 2.114 20 30 EEEDHM COc1cc(C#N)ccc1NC(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001605191234 1351099359 /nfs/dbraw/zinc/09/93/59/1351099359.db2.gz LIJDQYIKIVHFDJ-UHFFFAOYSA-N -1 3 334.339 2.308 20 30 EEEDHM COc1cc(C#N)ccc1NC(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001605191234 1351099363 /nfs/dbraw/zinc/09/93/63/1351099363.db2.gz LIJDQYIKIVHFDJ-UHFFFAOYSA-N -1 3 334.339 2.308 20 30 EEEDHM CSC1(CNc2c(C#N)cccc2-c2nnn[n-]2)CCOCC1 ZINC001605369421 1351145884 /nfs/dbraw/zinc/14/58/84/1351145884.db2.gz RFQFHWFXORWGSX-UHFFFAOYSA-N -1 3 330.417 2.062 20 30 EEEDHM CSC1(CNc2c(C#N)cccc2-c2nn[n-]n2)CCOCC1 ZINC001605369421 1351145886 /nfs/dbraw/zinc/14/58/86/1351145886.db2.gz RFQFHWFXORWGSX-UHFFFAOYSA-N -1 3 330.417 2.062 20 30 EEEDHM N#CCc1cccc(C(=O)N2CCc3c2cccc3-c2nnn[n-]2)c1 ZINC001606351000 1351296794 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ZINC000736088815 578180494 /nfs/dbraw/zinc/18/04/94/578180494.db2.gz DRZDMYCZNXRATB-UHFFFAOYSA-N -1 3 325.364 2.452 20 30 EEEDHM CC(C#N)C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000736203602 578187053 /nfs/dbraw/zinc/18/70/53/578187053.db2.gz UQZLZQORVAUANY-GZMMTYOYSA-N -1 3 325.162 2.241 20 30 EEEDHM CC[C@H](C#N)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736308717 578194719 /nfs/dbraw/zinc/19/47/19/578194719.db2.gz GWDRGNRWOPLNSU-CYBMUJFWSA-N -1 3 349.354 2.086 20 30 EEEDHM CC[C@H](C#N)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736308717 578194720 /nfs/dbraw/zinc/19/47/20/578194720.db2.gz GWDRGNRWOPLNSU-CYBMUJFWSA-N -1 3 349.354 2.086 20 30 EEEDHM COCc1ccccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737022516 578233450 /nfs/dbraw/zinc/23/34/50/578233450.db2.gz VRKSXZKCUKZYRB-UHFFFAOYSA-N -1 3 334.339 2.137 20 30 EEEDHM COCc1ccccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737022516 578233451 /nfs/dbraw/zinc/23/34/51/578233451.db2.gz VRKSXZKCUKZYRB-UHFFFAOYSA-N -1 3 334.339 2.137 20 30 EEEDHM Cc1c(C(=O)C=Cc2nccs2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201653 578243522 /nfs/dbraw/zinc/24/35/22/578243522.db2.gz FVLRDVVLJUOSKD-PLNGDYQASA-N -1 3 326.385 2.275 20 30 EEEDHM Cc1c(C(=O)C=Cc2nccs2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201653 578243523 /nfs/dbraw/zinc/24/35/23/578243523.db2.gz FVLRDVVLJUOSKD-PLNGDYQASA-N -1 3 326.385 2.275 20 30 EEEDHM C[C@@H]1CC[C@H](CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)O1 ZINC000820691128 599631175 /nfs/dbraw/zinc/63/11/75/599631175.db2.gz VRNOMMDUGSDPIN-ZWNOBZJWSA-N -1 3 326.360 2.025 20 30 EEEDHM C[C@@H]1CC[C@H](CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)O1 ZINC000820691128 599631176 /nfs/dbraw/zinc/63/11/76/599631176.db2.gz VRNOMMDUGSDPIN-ZWNOBZJWSA-N -1 3 326.360 2.025 20 30 EEEDHM N#Cc1cccc(C2(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826386792 607417592 /nfs/dbraw/zinc/41/75/92/607417592.db2.gz SVABWCOCXSUKKC-UHFFFAOYSA-N -1 3 344.378 2.086 20 30 EEEDHM N#Cc1cccc(C2(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826386792 607417593 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2.165 20 30 EEEDHM C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC001021627141 676281313 /nfs/dbraw/zinc/28/13/13/676281313.db2.gz MDJSLQTZPMDVOE-BEFAXECRSA-N -1 3 349.434 2.088 20 30 EEEDHM C#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccccc3[O-])C2)cc1 ZINC000983068843 681742442 /nfs/dbraw/zinc/74/24/42/681742442.db2.gz PHSAKHDNPRBRAT-INIZCTEOSA-N -1 3 348.402 2.266 20 30 EEEDHM N#Cc1cccnc1N1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001060111224 694003696 /nfs/dbraw/zinc/00/36/96/694003696.db2.gz RTZFJAAZEDJCHS-OAHLLOKOSA-N -1 3 336.395 2.448 20 30 EEEDHM C=CCN1CC[C@@]2(CCCN2C(=O)c2cc([O-])cc(Cl)c2)C1=O ZINC001273000435 1194308532 /nfs/dbraw/zinc/30/85/32/1194308532.db2.gz VIYJGSOBMJQAKM-KRWDZBQOSA-N -1 3 334.803 2.439 20 30 EEEDHM C=C(C)CN1CCCC[C@H](NC(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC001034427431 1196204407 /nfs/dbraw/zinc/20/44/07/1196204407.db2.gz XHSVZFIEJNSKDF-AWEZNQCLSA-N -1 3 340.427 2.496 20 30 EEEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cc2n(n1)CCO2 ZINC000810530340 1199569871 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EEEDHM C=CC[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1C)c1ccncc1 ZINC001588549275 1348915615 /nfs/dbraw/zinc/91/56/15/1348915615.db2.gz MNCHFLXQOCSUEM-AWEZNQCLSA-N -1 3 335.371 2.012 20 30 EEEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001588546054 1348915802 /nfs/dbraw/zinc/91/58/02/1348915802.db2.gz VWSKNSHHGJCXMF-AWEZNQCLSA-N -1 3 336.399 2.122 20 30 EEEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001588546054 1348915804 /nfs/dbraw/zinc/91/58/04/1348915804.db2.gz VWSKNSHHGJCXMF-AWEZNQCLSA-N -1 3 336.399 2.122 20 30 EEEDHM C=CCCCC(=O)NCCN(CC)c1cccc(F)c1-c1nnn[n-]1 ZINC001588590398 1348922091 /nfs/dbraw/zinc/92/20/91/1348922091.db2.gz LEGZXWYXTXRLOW-UHFFFAOYSA-N -1 3 346.410 2.305 20 30 EEEDHM C=CCCCC(=O)NCCN(CC)c1cccc(F)c1-c1nn[n-]n1 ZINC001588590398 1348922094 /nfs/dbraw/zinc/92/20/94/1348922094.db2.gz LEGZXWYXTXRLOW-UHFFFAOYSA-N -1 3 346.410 2.305 20 30 EEEDHM C[C@@H](CC#N)N(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001589786485 1349041365 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O=C(c1cccc(-c2nnn[n-]2)n1)N(O)CCCCc1ccccc1 ZINC001593348031 1349787489 /nfs/dbraw/zinc/78/74/89/1349787489.db2.gz LUMKSTWJTOJRNK-UHFFFAOYSA-N -1 3 338.371 2.116 20 30 EEEDHM C#C[C@@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001602697579 1350574968 /nfs/dbraw/zinc/57/49/68/1350574968.db2.gz XYNVHXGLFYXLLB-SNVBAGLBSA-N -1 3 330.779 2.397 20 30 EEEDHM C#C[C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001602697579 1350574970 /nfs/dbraw/zinc/57/49/70/1350574970.db2.gz XYNVHXGLFYXLLB-SNVBAGLBSA-N -1 3 330.779 2.397 20 30 EEEDHM C#CC[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001602700087 1350575641 /nfs/dbraw/zinc/57/56/41/1350575641.db2.gz QWZZWBJPNXETPC-SNVBAGLBSA-N -1 3 330.779 2.397 20 30 EEEDHM C#CC[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001602700087 1350575642 /nfs/dbraw/zinc/57/56/42/1350575642.db2.gz QWZZWBJPNXETPC-SNVBAGLBSA-N -1 3 330.779 2.397 20 30 EEEDHM C#CCCCCNC(=O)Nc1cc(C)c(N(C)C)cc1-c1nnn[n-]1 ZINC001602711142 1350576025 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C#CCOCCC(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001588362800 1348895726 /nfs/dbraw/zinc/89/57/26/1348895726.db2.gz UVZZWLUHGUAYAE-UHFFFAOYSA-N -1 3 343.387 2.022 20 30 EEEDHM C#Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)cn1 ZINC001588373895 1348896985 /nfs/dbraw/zinc/89/69/85/1348896985.db2.gz WGBNPUNTCJZVLL-UHFFFAOYSA-N -1 3 341.334 2.044 20 30 EEEDHM C#Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)cn1 ZINC001588373895 1348896991 /nfs/dbraw/zinc/89/69/91/1348896991.db2.gz WGBNPUNTCJZVLL-UHFFFAOYSA-N -1 3 341.334 2.044 20 30 EEEDHM C=C(C)CCC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001588419248 1348903265 /nfs/dbraw/zinc/90/32/65/1348903265.db2.gz ASYYEURRSRYORA-UHFFFAOYSA-N -1 3 341.350 2.486 20 30 EEEDHM C=C(C)CN(C)C(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001588425571 1348904170 /nfs/dbraw/zinc/90/41/70/1348904170.db2.gz ISRRWPTZMUXTPE-UHFFFAOYSA-N -1 3 336.193 2.277 20 30 EEEDHM C=C(C)CN(C)C(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001588425571 1348904175 /nfs/dbraw/zinc/90/41/75/1348904175.db2.gz ISRRWPTZMUXTPE-UHFFFAOYSA-N -1 3 336.193 2.277 20 30 EEEDHM C=C[C@](C)(CC)C(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588491785 1348909469 /nfs/dbraw/zinc/90/94/69/1348909469.db2.gz KDJMUXCGPJTWTA-GOSISDBHSA-N -1 3 343.431 2.444 20 30 EEEDHM C=C[C@](C)(CC)C(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588491785 1348909471 /nfs/dbraw/zinc/90/94/71/1348909471.db2.gz KDJMUXCGPJTWTA-GOSISDBHSA-N -1 3 343.431 2.444 20 30 EEEDHM C=CCCC(=O)NC[C@@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588569740 1348918879 /nfs/dbraw/zinc/91/88/79/1348918879.db2.gz FSUCWSPOBHDMKB-NSHDSACASA-N -1 3 332.383 2.136 20 30 EEEDHM C=CCCC(=O)NC[C@@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588569740 1348918882 /nfs/dbraw/zinc/91/88/82/1348918882.db2.gz FSUCWSPOBHDMKB-NSHDSACASA-N -1 3 332.383 2.136 20 30 EEEDHM C=CCC[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001588583659 1348920935 /nfs/dbraw/zinc/92/09/35/1348920935.db2.gz ZYLYVEAIPFXSBJ-CQSZACIVSA-N -1 3 347.444 2.294 20 30 EEEDHM C=CCC[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001588583659 1348920937 /nfs/dbraw/zinc/92/09/37/1348920937.db2.gz ZYLYVEAIPFXSBJ-CQSZACIVSA-N -1 3 347.444 2.294 20 30 EEEDHM C=CCCO[C@@H](C)C(=O)NC(C)(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588608848 1348922598 /nfs/dbraw/zinc/92/25/98/1348922598.db2.gz RKCKGKUVBYNODF-ZDUSSCGKSA-N -1 3 343.431 2.285 20 30 EEEDHM C=CCCO[C@@H](C)C(=O)NC(C)(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588608848 1348922601 /nfs/dbraw/zinc/92/26/01/1348922601.db2.gz RKCKGKUVBYNODF-ZDUSSCGKSA-N -1 3 343.431 2.285 20 30 EEEDHM C=CCCCN(CC)C(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC001588601118 1348922774 /nfs/dbraw/zinc/92/27/74/1348922774.db2.gz DUQXQLPYBDQOJC-UHFFFAOYSA-N -1 3 345.403 2.069 20 30 EEEDHM C=CCCCN(CC)C(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC001588601118 1348922778 /nfs/dbraw/zinc/92/27/78/1348922778.db2.gz DUQXQLPYBDQOJC-UHFFFAOYSA-N -1 3 345.403 2.069 20 30 EEEDHM C[C@]1(C#N)CCCN(c2nc3cc(Cl)ccn3c2-c2nnn[n-]2)C1 ZINC001590054067 1349133338 /nfs/dbraw/zinc/13/33/38/1349133338.db2.gz HMLOLGMRHLWKDN-OAHLLOKOSA-N -1 3 342.794 2.298 20 30 EEEDHM C[C@]1(C#N)CCCN(c2nc3cc(Cl)ccn3c2-c2nn[n-]n2)C1 ZINC001590054067 1349133341 /nfs/dbraw/zinc/13/33/41/1349133341.db2.gz HMLOLGMRHLWKDN-OAHLLOKOSA-N -1 3 342.794 2.298 20 30 EEEDHM COc1cc(C=C2CCc3[nH]c(=O)ccc3C2=O)ccc1-c1nnn[n-]1 ZINC001591522062 1349496835 /nfs/dbraw/zinc/49/68/35/1349496835.db2.gz CFQKKCCCLJINAP-DHZHZOJOSA-N -1 3 349.350 2.188 20 30 EEEDHM COc1cc(C=C2CCc3[nH]c(=O)ccc3C2=O)ccc1-c1nn[n-]n1 ZINC001591522062 1349496837 /nfs/dbraw/zinc/49/68/37/1349496837.db2.gz CFQKKCCCLJINAP-DHZHZOJOSA-N -1 3 349.350 2.188 20 30 EEEDHM COc1cc(Oc2ccc([N+](=O)[O-])cc2C#N)ccc1-c1nnn[n-]1 ZINC001591555447 1349505895 /nfs/dbraw/zinc/50/58/95/1349505895.db2.gz VTUFCYLDISQOEB-UHFFFAOYSA-N -1 3 338.283 2.447 20 30 EEEDHM COc1cc(Oc2ccc([N+](=O)[O-])cc2C#N)ccc1-c1nn[n-]n1 ZINC001591555447 1349505901 /nfs/dbraw/zinc/50/59/01/1349505901.db2.gz VTUFCYLDISQOEB-UHFFFAOYSA-N -1 3 338.283 2.447 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1Cc2ccc(O)cc2C2(CC2)C1 ZINC001592698373 1349707712 /nfs/dbraw/zinc/70/77/12/1349707712.db2.gz AEHYBGDQKKRWBS-UHFFFAOYSA-N -1 3 344.378 2.496 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1Cc2ccc(O)cc2C2(CC2)C1 ZINC001592698373 1349707714 /nfs/dbraw/zinc/70/77/14/1349707714.db2.gz AEHYBGDQKKRWBS-UHFFFAOYSA-N -1 3 344.378 2.496 20 30 EEEDHM Cc1ccc(F)cc1NC(=O)CCN1CCC(C#N)(C(=O)[O-])CC1 ZINC001600431146 1350049491 /nfs/dbraw/zinc/04/94/91/1350049491.db2.gz YMLGQKAOISOMKW-UHFFFAOYSA-N -1 3 333.363 2.153 20 30 EEEDHM N#Cc1ccc([C@H](NCc2cc3c([nH]c2=O)CCCC3)C(=O)[O-])cc1 ZINC001601096972 1350208760 /nfs/dbraw/zinc/20/87/60/1350208760.db2.gz RHARCJOXWYAMMV-KRWDZBQOSA-N -1 3 337.379 2.453 20 30 EEEDHM N#Cc1cccc([C@@H](C(=O)[O-])N2CCC3(CC2)CC(=O)C=CO3)c1 ZINC001601119048 1350214352 /nfs/dbraw/zinc/21/43/52/1350214352.db2.gz NKXVKLNTQMXVHQ-INIZCTEOSA-N -1 3 326.352 2.022 20 30 EEEDHM C=C(C)[C@@H](CC(=O)Nc1ccc(OC)c(-c2nnn[n-]2)c1)OCC ZINC001602752543 1350581203 /nfs/dbraw/zinc/58/12/03/1350581203.db2.gz DKQHVSKEZDWCGF-CQSZACIVSA-N -1 3 331.376 2.185 20 30 EEEDHM C=C(C)[C@@H](CC(=O)Nc1ccc(OC)c(-c2nn[n-]n2)c1)OCC ZINC001602752543 1350581207 /nfs/dbraw/zinc/58/12/07/1350581207.db2.gz DKQHVSKEZDWCGF-CQSZACIVSA-N -1 3 331.376 2.185 20 30 EEEDHM C=C(C)CCC(=O)N(C)C[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001602756710 1350582576 /nfs/dbraw/zinc/58/25/76/1350582576.db2.gz WBGWMGLAJQLNKC-NSHDSACASA-N -1 3 347.398 2.016 20 30 EEEDHM C=C(C)CCC(=O)N(C)C[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001602756710 1350582579 /nfs/dbraw/zinc/58/25/79/1350582579.db2.gz WBGWMGLAJQLNKC-NSHDSACASA-N -1 3 347.398 2.016 20 30 EEEDHM C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001602784518 1350586458 /nfs/dbraw/zinc/58/64/58/1350586458.db2.gz UQOUIJOXQZZIJB-NEPJUHHUSA-N -1 3 343.435 2.087 20 30 EEEDHM C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001602784518 1350586462 /nfs/dbraw/zinc/58/64/62/1350586462.db2.gz UQOUIJOXQZZIJB-NEPJUHHUSA-N -1 3 343.435 2.087 20 30 EEEDHM C=CC(C)(C)CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl ZINC001602786665 1350586474 /nfs/dbraw/zinc/58/64/74/1350586474.db2.gz CRMZXWSKAJSHMA-UHFFFAOYSA-N -1 3 341.824 2.011 20 30 EEEDHM C=CC(C)(C)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl ZINC001602786665 1350586476 /nfs/dbraw/zinc/58/64/76/1350586476.db2.gz CRMZXWSKAJSHMA-UHFFFAOYSA-N -1 3 341.824 2.011 20 30 EEEDHM C=CCN(Cc1cccs1)C(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001602862330 1350597760 /nfs/dbraw/zinc/59/77/60/1350597760.db2.gz IWIQUUMWMVVCRO-UHFFFAOYSA-N -1 3 328.401 2.095 20 30 EEEDHM C=CCN(Cc1cccs1)C(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001602862330 1350597765 /nfs/dbraw/zinc/59/77/65/1350597765.db2.gz IWIQUUMWMVVCRO-UHFFFAOYSA-N -1 3 328.401 2.095 20 30 EEEDHM C[C@@H](CC(C)(C)C)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603450945 1350707318 /nfs/dbraw/zinc/70/73/18/1350707318.db2.gz GOIXVTGTMULBBH-WFASDCNBSA-N -1 3 340.431 2.490 20 30 EEEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCCC[C@H]1C#N ZINC001603712345 1350748235 /nfs/dbraw/zinc/74/82/35/1350748235.db2.gz GTSTURCVPQVMBP-OSAQELSMSA-N -1 3 341.371 2.260 20 30 EEEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@](C)(C#N)C1 ZINC001603736526 1350754908 /nfs/dbraw/zinc/75/49/08/1350754908.db2.gz NSBPIFJBXHCINF-MRXNPFEDSA-N -1 3 342.407 2.191 20 30 EEEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@](C)(C#N)C1 ZINC001603736526 1350754913 /nfs/dbraw/zinc/75/49/13/1350754913.db2.gz NSBPIFJBXHCINF-MRXNPFEDSA-N -1 3 342.407 2.191 20 30 EEEDHM C[C@H]1CCCC[C@@H]1NC(=S)NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001603890256 1350795106 /nfs/dbraw/zinc/79/51/06/1350795106.db2.gz JBUPHKSETBNWFV-FZMZJTMJSA-N -1 3 343.460 2.243 20 30 EEEDHM C[C@H]1CCCC[C@@H]1NC(=S)NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603890256 1350795109 /nfs/dbraw/zinc/79/51/09/1350795109.db2.gz JBUPHKSETBNWFV-FZMZJTMJSA-N -1 3 343.460 2.243 20 30 EEEDHM CC[C@H](C)NN=C(C)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC001604007642 1350828465 /nfs/dbraw/zinc/82/84/65/1350828465.db2.gz QOJLWAZLEAAPBS-NSHDSACASA-N -1 3 338.419 2.473 20 30 EEEDHM CC[C@H](OCCn1c(C)nc(C#N)c1-c1nnn[n-]1)c1ccccc1 ZINC001604071225 1350846741 /nfs/dbraw/zinc/84/67/41/1350846741.db2.gz KOPOJXDXSCZCPZ-HNNXBMFYSA-N -1 3 337.387 2.411 20 30 EEEDHM CC[C@H](OCCn1c(C)nc(C#N)c1-c1nn[n-]n1)c1ccccc1 ZINC001604071225 1350846744 /nfs/dbraw/zinc/84/67/44/1350846744.db2.gz KOPOJXDXSCZCPZ-HNNXBMFYSA-N -1 3 337.387 2.411 20 30 EEEDHM CCCCCCCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001604176279 1350884216 /nfs/dbraw/zinc/88/42/16/1350884216.db2.gz MGRLDUBIQJMFHN-UHFFFAOYSA-N -1 3 341.412 2.255 20 30 EEEDHM C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001604466747 1350943742 /nfs/dbraw/zinc/94/37/42/1350943742.db2.gz BBKVGSVWSSWYIS-IUODEOHRSA-N -1 3 325.372 2.246 20 30 EEEDHM CCc1ccc([C@H](C#N)NC(=O)c2ncc(-c3nnn[n-]3)cc2C)cc1 ZINC001604522152 1350954387 /nfs/dbraw/zinc/95/43/87/1350954387.db2.gz PDEYRHIKBRFSDQ-HNNXBMFYSA-N -1 3 347.382 2.127 20 30 EEEDHM CCc1ccc([C@H](C#N)NC(=O)c2ncc(-c3nn[n-]n3)cc2C)cc1 ZINC001604522152 1350954389 /nfs/dbraw/zinc/95/43/89/1350954389.db2.gz PDEYRHIKBRFSDQ-HNNXBMFYSA-N -1 3 347.382 2.127 20 30 EEEDHM CCc1nnc(NCc2ccc(-c3nnn[n-]3)s2)c(C#N)c1CC ZINC001604582213 1350964874 /nfs/dbraw/zinc/96/48/74/1350964874.db2.gz ZJYJMLGMJZVIRQ-UHFFFAOYSA-N -1 3 340.416 2.327 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H]1CCC[C@H](C#N)C1 ZINC001605161432 1351091694 /nfs/dbraw/zinc/09/16/94/1351091694.db2.gz BMBOFJFVKLAXNC-JQWIXIFHSA-N -1 3 327.344 2.114 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H]1CCC[C@H](C#N)C1 ZINC001605161432 1351091697 /nfs/dbraw/zinc/09/16/97/1351091697.db2.gz BMBOFJFVKLAXNC-JQWIXIFHSA-N -1 3 327.344 2.114 20 30 EEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1C[C@@H](C)COCc1ccccc1 ZINC001606024071 1351264063 /nfs/dbraw/zinc/26/40/63/1351264063.db2.gz UEMCNCZYLNGHRH-GFCCVEGCSA-N -1 3 337.387 2.096 20 30 EEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1C[C@@H](C)COCc1ccccc1 ZINC001606024071 1351264065 /nfs/dbraw/zinc/26/40/65/1351264065.db2.gz UEMCNCZYLNGHRH-GFCCVEGCSA-N -1 3 337.387 2.096 20 30 EEEDHM N#CC1CCC(COC(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001606343755 1351295419 /nfs/dbraw/zinc/29/54/19/1351295419.db2.gz CJFZKZDAZJJMAK-UHFFFAOYSA-N -1 3 325.372 2.282 20 30 EEEDHM N#CC1CCC(COC(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001606343755 1351295420 /nfs/dbraw/zinc/29/54/20/1351295420.db2.gz CJFZKZDAZJJMAK-UHFFFAOYSA-N -1 3 325.372 2.282 20 30 EEEDHM N#CCc1ccnc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC001606351686 1351296753 /nfs/dbraw/zinc/29/67/53/1351296753.db2.gz PLJJSMBHKKRKFP-UHFFFAOYSA-N -1 3 339.746 2.233 20 30 EEEDHM N#CCc1ccnc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC001606351686 1351296755 /nfs/dbraw/zinc/29/67/55/1351296755.db2.gz PLJJSMBHKKRKFP-UHFFFAOYSA-N -1 3 339.746 2.233 20 30 EEEDHM N#Cc1cc(NC(=O)c2cnccc2-c2nnn[n-]2)ccc1Cl ZINC001606361190 1351297386 /nfs/dbraw/zinc/29/73/86/1351297386.db2.gz HVVPQPLFFZIUNT-UHFFFAOYSA-N -1 3 325.719 2.039 20 30 EEEDHM N#Cc1cc(NC(=O)c2cnccc2-c2nn[n-]n2)ccc1Cl ZINC001606361190 1351297392 /nfs/dbraw/zinc/29/73/92/1351297392.db2.gz HVVPQPLFFZIUNT-UHFFFAOYSA-N -1 3 325.719 2.039 20 30 EEEDHM N#Cc1ccc(N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)c([N+](=O)[O-])c1 ZINC001606377572 1351298602 /nfs/dbraw/zinc/29/86/02/1351298602.db2.gz NAXHFVWGLLMURT-CQSZACIVSA-N -1 3 347.338 2.226 20 30 EEEDHM N#Cc1ccc(N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)c([N+](=O)[O-])c1 ZINC001606377572 1351298604 /nfs/dbraw/zinc/29/86/04/1351298604.db2.gz NAXHFVWGLLMURT-CQSZACIVSA-N -1 3 347.338 2.226 20 30 EEEDHM O=[S@]1CCCC(N=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC001607076171 1351407220 /nfs/dbraw/zinc/40/72/20/1351407220.db2.gz HHENGTBVHPANSF-QFIPXVFZSA-N -1 3 338.824 2.221 20 30 EEEDHM O=[S@]1CCCC(N=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC001607076171 1351407221 /nfs/dbraw/zinc/40/72/21/1351407221.db2.gz HHENGTBVHPANSF-QFIPXVFZSA-N -1 3 338.824 2.221 20 30 EEEDHM Cc1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1C ZINC000737364138 1367707941 /nfs/dbraw/zinc/70/79/41/1367707941.db2.gz ILMQXDDVOQNKKH-UHFFFAOYSA-N -1 3 348.366 2.373 20 30 EEEDHM Cc1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1C ZINC000737364138 1367707945 /nfs/dbraw/zinc/70/79/45/1367707945.db2.gz ILMQXDDVOQNKKH-UHFFFAOYSA-N -1 3 348.366 2.373 20 30 EEEDHM N#Cc1cc(S(=O)(=O)[N-][C@H]2CC2(F)F)ccc1Br ZINC001197319602 1368614707 /nfs/dbraw/zinc/61/47/07/1368614707.db2.gz DFKHYEYRMQZKHD-VIFPVBQESA-N -1 3 337.145 2.007 20 30 EEEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2F)nc1 ZINC000780889379 1371171627 /nfs/dbraw/zinc/17/16/27/1371171627.db2.gz ZWSPKMNMVSJNKP-UHFFFAOYSA-N -1 3 325.752 2.224 20 30 EEEDHM C=C(Cl)CNCc1cc(=O)[n-]c(CNC(=O)CCC2CCC2)n1 ZINC001397729552 1391457870 /nfs/dbraw/zinc/45/78/70/1391457870.db2.gz KVGSXGJRGOYWHF-UHFFFAOYSA-N -1 3 338.839 2.221 20 30 EEEDHM C=CCN[C@H](CNC(=O)c1[nH]nc(C)c1[O-])c1ccccc1CC ZINC001754785691 1406954734 /nfs/dbraw/zinc/95/47/34/1406954734.db2.gz PKHFLJKJXDTFMV-OAHLLOKOSA-N -1 3 328.416 2.233 20 30 EEEDHM CCCCCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001577504922 1403659967 /nfs/dbraw/zinc/65/99/67/1403659967.db2.gz GRYHJBITWRIYHK-UHFFFAOYSA-N -1 3 341.412 2.255 20 30 EEEDHM N#CC[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Br)C1 ZINC001592673905 1404710914 /nfs/dbraw/zinc/71/09/14/1404710914.db2.gz STZDUOOYZBUNOV-VIFPVBQESA-N -1 3 348.208 2.154 20 30 EEEDHM N#CC[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Br)C1 ZINC001592673905 1404710916 /nfs/dbraw/zinc/71/09/16/1404710916.db2.gz STZDUOOYZBUNOV-VIFPVBQESA-N -1 3 348.208 2.154 20 30 EEEDHM N#CCCSc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001592678125 1404712960 /nfs/dbraw/zinc/71/29/60/1404712960.db2.gz NNPANIDKAUGFKM-UHFFFAOYSA-N -1 3 327.329 2.329 20 30 EEEDHM N#CCCSc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001592678125 1404712965 /nfs/dbraw/zinc/71/29/65/1404712965.db2.gz NNPANIDKAUGFKM-UHFFFAOYSA-N -1 3 327.329 2.329 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H](O)CCc1ccccc1 ZINC001592698546 1404715862 /nfs/dbraw/zinc/71/58/62/1404715862.db2.gz CFWQRIUVQCUGDH-HNNXBMFYSA-N -1 3 334.383 2.144 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@H](O)CCc1ccccc1 ZINC001592698546 1404715864 /nfs/dbraw/zinc/71/58/64/1404715864.db2.gz CFWQRIUVQCUGDH-HNNXBMFYSA-N -1 3 334.383 2.144 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1Nc1ccc(N2CCOCC2)cc1 ZINC001592700046 1404717222 /nfs/dbraw/zinc/71/72/22/1404717222.db2.gz YPEIFUFNWTWQFY-UHFFFAOYSA-N -1 3 347.382 2.319 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1Nc1ccc(N2CCOCC2)cc1 ZINC001592700046 1404717227 /nfs/dbraw/zinc/71/72/27/1404717227.db2.gz YPEIFUFNWTWQFY-UHFFFAOYSA-N -1 3 347.382 2.319 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC001592699282 1404717441 /nfs/dbraw/zinc/71/74/41/1404717441.db2.gz VBGTXTVBYHSWJE-HUUCEWRRSA-N -1 3 338.415 2.381 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC001592699282 1404717444 /nfs/dbraw/zinc/71/74/44/1404717444.db2.gz VBGTXTVBYHSWJE-HUUCEWRRSA-N -1 3 338.415 2.381 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC=C(c2ccccn2)C1 ZINC001592699279 1404718435 /nfs/dbraw/zinc/71/84/35/1404718435.db2.gz VAZFFBXKVWYJBS-UHFFFAOYSA-N -1 3 329.367 2.427 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC=C(c2ccccn2)C1 ZINC001592699279 1404718439 /nfs/dbraw/zinc/71/84/39/1404718439.db2.gz VAZFFBXKVWYJBS-UHFFFAOYSA-N -1 3 329.367 2.427 20 30 EEEDHM N#Cc1cnccc1N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001592704182 1404718534 /nfs/dbraw/zinc/71/85/34/1404718534.db2.gz ZTMVXNAMOZMYMQ-UHFFFAOYSA-N -1 3 347.382 2.181 20 30 EEEDHM N#Cc1cnccc1N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001592704182 1404718541 /nfs/dbraw/zinc/71/85/41/1404718541.db2.gz ZTMVXNAMOZMYMQ-UHFFFAOYSA-N -1 3 347.382 2.181 20 30 EEEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cn2c(n1)CCCC2 ZINC001592791263 1404721503 /nfs/dbraw/zinc/72/15/03/1404721503.db2.gz GQNYPNJWSXYAJY-XQRVVYSFSA-N -1 3 326.385 2.357 20 30 EEEDHM N#C[C@@]1(C(=O)OCc2ccc(-c3nnn[n-]3)s2)CC12CCCC2 ZINC001606340204 1404797540 /nfs/dbraw/zinc/79/75/40/1404797540.db2.gz GOZOQOYHBHZSAB-OAHLLOKOSA-N -1 3 329.385 2.445 20 30 EEEDHM C=C(C)CCC(=O)NCc1nc(CNC(=O)C=C(C)CC)cc(=O)[n-]1 ZINC001757422346 1409705502 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C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816757332 784245269 /nfs/dbraw/zinc/24/52/69/784245269.db2.gz QDWQMFBXZAXIAD-ZWNOBZJWSA-N -1 3 344.333 2.380 20 30 EEEDHM COC(=O)c1cnc([C@@H](C)/N=C/c2c([O-])c(C)ncc2CO)s1 ZINC000818994041 785357675 /nfs/dbraw/zinc/35/76/75/785357675.db2.gz BIVYZJFOXZZNDY-WINHXHGESA-N -1 3 335.385 2.011 20 30 EEEDHM C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000908885457 785826697 /nfs/dbraw/zinc/82/66/97/785826697.db2.gz XUNVEDKTADHEKA-GDBMZVCRSA-N -1 3 331.416 2.104 20 30 EEEDHM C#C[C@H](C)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000820422815 785925969 /nfs/dbraw/zinc/92/59/69/785925969.db2.gz NUBKTGBBLGFTHG-NSHDSACASA-N -1 3 349.818 2.427 20 30 EEEDHM CN(C[C@H]1CCN(C(=O)c2ccccc2[O-])C1)c1ccc(C#N)cn1 ZINC001062063760 787319154 /nfs/dbraw/zinc/31/91/54/787319154.db2.gz IUNHJIYGYJUZAF-OAHLLOKOSA-N -1 3 336.395 2.257 20 30 EEEDHM C=CCCC[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823894736 787984812 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C=CCC(C)(C)C(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573319044 947321173 /nfs/dbraw/zinc/32/11/73/947321173.db2.gz JQERDPLDTSQKQB-LBPRGKRZSA-N -1 3 343.435 2.171 20 30 EEEDHM C=CCC1(NS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CCCC1 ZINC001573329684 947425896 /nfs/dbraw/zinc/42/58/96/947425896.db2.gz NJCODSXIUKSILE-UHFFFAOYSA-N -1 3 347.444 2.342 20 30 EEEDHM C=CCC1(NS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CCCC1 ZINC001573329684 947425904 /nfs/dbraw/zinc/42/59/04/947425904.db2.gz NJCODSXIUKSILE-UHFFFAOYSA-N -1 3 347.444 2.342 20 30 EEEDHM C=CC[C@H]1CCN1C(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001573329933 947428523 /nfs/dbraw/zinc/42/85/23/947428523.db2.gz RBPRGJJLBYGYNQ-ZDUSSCGKSA-N -1 3 336.355 2.312 20 30 EEEDHM C=CC[C@H]1CCN1C(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001573329933 947428529 /nfs/dbraw/zinc/42/85/29/947428529.db2.gz RBPRGJJLBYGYNQ-ZDUSSCGKSA-N -1 3 336.355 2.312 20 30 EEEDHM C[C@@H](c1cccc(C#N)c1)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001589175238 956493566 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ZINC001581875168 1344683605 /nfs/dbraw/zinc/68/36/05/1344683605.db2.gz YARNAFKOCNDHAX-UHFFFAOYSA-N -1 3 345.366 2.333 20 30 EEEDHM C#C[C@H](CCC)NC(=O)NC(C)(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588328107 1348888727 /nfs/dbraw/zinc/88/87/27/1348888727.db2.gz ZKDPRIVSALJZNS-OAHLLOKOSA-N -1 3 340.431 2.289 20 30 EEEDHM C#C[C@H](CCC)NC(=O)NC(C)(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588328107 1348888731 /nfs/dbraw/zinc/88/87/31/1348888731.db2.gz ZKDPRIVSALJZNS-OAHLLOKOSA-N -1 3 340.431 2.289 20 30 EEEDHM C#C[C@H](NC(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1)c1ccccc1 ZINC001588330029 1348889062 /nfs/dbraw/zinc/88/90/62/1348889062.db2.gz SWCCXEIAAWRPGK-AWEZNQCLSA-N -1 3 342.362 2.452 20 30 EEEDHM C#CC[C@@H]1CCCN(c2cccc(-n3cccn3)c2-c2nnn[n-]2)C1 ZINC001588337843 1348891937 /nfs/dbraw/zinc/89/19/37/1348891937.db2.gz XATUVKSZORUPEF-CQSZACIVSA-N -1 3 333.399 2.292 20 30 EEEDHM C#CC[C@@H]1CCCN(c2cccc(-n3cccn3)c2-c2nn[n-]n2)C1 ZINC001588337843 1348891943 /nfs/dbraw/zinc/89/19/43/1348891943.db2.gz XATUVKSZORUPEF-CQSZACIVSA-N -1 3 333.399 2.292 20 30 EEEDHM C#CCCC[C@@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588342017 1348892955 /nfs/dbraw/zinc/89/29/55/1348892955.db2.gz UAILMVSUFYRUNT-CHWSQXEVSA-N -1 3 328.372 2.369 20 30 EEEDHM C#CCCC[C@@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588342017 1348892957 /nfs/dbraw/zinc/89/29/57/1348892957.db2.gz UAILMVSUFYRUNT-CHWSQXEVSA-N -1 3 328.372 2.369 20 30 EEEDHM C#CCO[C@@H](C)C(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001588360011 1348895008 /nfs/dbraw/zinc/89/50/08/1348895008.db2.gz FRZGENURRLCQJT-VIFPVBQESA-N -1 3 333.417 2.203 20 30 EEEDHM C#CCO[C@@H](C)C(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001588360011 1348895011 /nfs/dbraw/zinc/89/50/11/1348895011.db2.gz FRZGENURRLCQJT-VIFPVBQESA-N -1 3 333.417 2.203 20 30 EEEDHM C#Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)cn1 ZINC001588373807 1348896561 /nfs/dbraw/zinc/89/65/61/1348896561.db2.gz SWMCRAFGAJHKQV-UHFFFAOYSA-N -1 3 330.351 2.373 20 30 EEEDHM C#Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)cn1 ZINC001588373807 1348896567 /nfs/dbraw/zinc/89/65/67/1348896567.db2.gz SWMCRAFGAJHKQV-UHFFFAOYSA-N -1 3 330.351 2.373 20 30 EEEDHM C#Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC001588373282 1348896914 /nfs/dbraw/zinc/89/69/14/1348896914.db2.gz GVWIEPVWMJCETL-UHFFFAOYSA-N -1 3 339.742 2.253 20 30 EEEDHM C#Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC001588373282 1348896919 /nfs/dbraw/zinc/89/69/19/1348896919.db2.gz GVWIEPVWMJCETL-UHFFFAOYSA-N -1 3 339.742 2.253 20 30 EEEDHM C=C(C)C[C@H](CO)Nc1cc(Br)ccc1-c1nnn[n-]1 ZINC001588406357 1348902286 /nfs/dbraw/zinc/90/22/86/1348902286.db2.gz UJQKZSTZNKLGOA-SNVBAGLBSA-N -1 3 338.209 2.368 20 30 EEEDHM C=C(C)C[C@H](CO)Nc1cc(Br)ccc1-c1nn[n-]n1 ZINC001588406357 1348902289 /nfs/dbraw/zinc/90/22/89/1348902289.db2.gz UJQKZSTZNKLGOA-SNVBAGLBSA-N -1 3 338.209 2.368 20 30 EEEDHM C=C[C@H](C)NC(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001588515898 1348911183 /nfs/dbraw/zinc/91/11/83/1348911183.db2.gz KNHWSJNYWHVEFB-GZMMTYOYSA-N -1 3 340.309 2.344 20 30 EEEDHM C=C[C@H](C)NC(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001588515898 1348911189 /nfs/dbraw/zinc/91/11/89/1348911189.db2.gz KNHWSJNYWHVEFB-GZMMTYOYSA-N -1 3 340.309 2.344 20 30 EEEDHM C=C[C@@H](CC)CC(=O)NC[C@@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001588521420 1348912467 /nfs/dbraw/zinc/91/24/67/1348912467.db2.gz NEGYMJRRXHVOIG-OLZOCXBDSA-N -1 3 343.435 2.028 20 30 EEEDHM C=C[C@@H](CC)CC(=O)NC[C@@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001588521420 1348912470 /nfs/dbraw/zinc/91/24/70/1348912470.db2.gz NEGYMJRRXHVOIG-OLZOCXBDSA-N -1 3 343.435 2.028 20 30 EEEDHM C=CCC1(C(=O)NCc2ccc(-c3nnn[n-]3)c(OC)c2)CCC1 ZINC001588553459 1348915544 /nfs/dbraw/zinc/91/55/44/1348915544.db2.gz OYWCNSDGRHGTOX-UHFFFAOYSA-N -1 3 327.388 2.238 20 30 EEEDHM C=CCC1(C(=O)NCc2ccc(-c3nn[n-]n3)c(OC)c2)CCC1 ZINC001588553459 1348915548 /nfs/dbraw/zinc/91/55/48/1348915548.db2.gz OYWCNSDGRHGTOX-UHFFFAOYSA-N -1 3 327.388 2.238 20 30 EEEDHM C=CCCC(=O)N1CCC(Nc2ccccc2-c2nnn[n-]2)CC1 ZINC001588566451 1348917730 /nfs/dbraw/zinc/91/77/30/1348917730.db2.gz HQBJMJHLHHYSPE-UHFFFAOYSA-N -1 3 326.404 2.236 20 30 EEEDHM C=CCCC(=O)N1CCC(Nc2ccccc2-c2nn[n-]n2)CC1 ZINC001588566451 1348917733 /nfs/dbraw/zinc/91/77/33/1348917733.db2.gz HQBJMJHLHHYSPE-UHFFFAOYSA-N -1 3 326.404 2.236 20 30 EEEDHM C=CCCCC(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588582820 1348921247 /nfs/dbraw/zinc/92/12/47/1348921247.db2.gz PCZPOXGRALSGSU-LBPRGKRZSA-N -1 3 343.435 2.185 20 30 EEEDHM C=CCCCC(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588582820 1348921251 /nfs/dbraw/zinc/92/12/51/1348921251.db2.gz PCZPOXGRALSGSU-LBPRGKRZSA-N -1 3 343.435 2.185 20 30 EEEDHM C=CCCCN(CC)C(=O)NCc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588601083 1348923434 /nfs/dbraw/zinc/92/34/34/1348923434.db2.gz CUZKBYAPLVAPDV-UHFFFAOYSA-N -1 3 344.419 2.373 20 30 EEEDHM C=CCCCN(CC)C(=O)NCc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588601083 1348923438 /nfs/dbraw/zinc/92/34/38/1348923438.db2.gz CUZKBYAPLVAPDV-UHFFFAOYSA-N -1 3 344.419 2.373 20 30 EEEDHM CC(=Cc1cccnc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001588772710 1348934542 /nfs/dbraw/zinc/93/45/42/1348934542.db2.gz QFDXQOWKPFEAGF-XFFZJAGNSA-N -1 3 331.339 2.175 20 30 EEEDHM CC(=Cc1cccnc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001588772710 1348934543 /nfs/dbraw/zinc/93/45/43/1348934543.db2.gz QFDXQOWKPFEAGF-XFFZJAGNSA-N -1 3 331.339 2.175 20 30 EEEDHM CC(N=Nc1nc(-c2cccnc2)no1)c1cccc(-c2nnn[n-]2)c1 ZINC001588781221 1348935611 /nfs/dbraw/zinc/93/56/11/1348935611.db2.gz NCEUNRAAJYXGBM-UHFFFAOYSA-N -1 3 347.342 2.148 20 30 EEEDHM CC(N=Nc1nc(-c2cccnc2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC001588781221 1348935613 /nfs/dbraw/zinc/93/56/13/1348935613.db2.gz NCEUNRAAJYXGBM-UHFFFAOYSA-N -1 3 347.342 2.148 20 30 EEEDHM C[C@H](C#N)CN(C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC001588931097 1348949196 /nfs/dbraw/zinc/94/91/96/1348949196.db2.gz RIKCANJAOYYFPM-SECBINFHSA-N -1 3 330.779 2.284 20 30 EEEDHM C[C@H](C#N)CN(C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC001588931097 1348949199 /nfs/dbraw/zinc/94/91/99/1348949199.db2.gz RIKCANJAOYYFPM-SECBINFHSA-N -1 3 330.779 2.284 20 30 EEEDHM CC(C[C@@H]1CCCC(=O)N1)N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001589802349 1349048265 /nfs/dbraw/zinc/04/82/65/1349048265.db2.gz VKQHQYMWKAJJQU-JTQLQIEISA-N -1 3 347.810 2.367 20 30 EEEDHM CC(C[C@@H]1CCCC(=O)N1)N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001589802349 1349048270 /nfs/dbraw/zinc/04/82/70/1349048270.db2.gz VKQHQYMWKAJJQU-JTQLQIEISA-N -1 3 347.810 2.367 20 30 EEEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001590024065 1349114007 /nfs/dbraw/zinc/11/40/07/1349114007.db2.gz VXLPPVYYGQYYJD-LLVKDONJSA-N -1 3 335.323 2.111 20 30 EEEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001590024065 1349114012 /nfs/dbraw/zinc/11/40/12/1349114012.db2.gz VXLPPVYYGQYYJD-LLVKDONJSA-N -1 3 335.323 2.111 20 30 EEEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1ccc(C#N)cc1 ZINC001590024091 1349114364 /nfs/dbraw/zinc/11/43/64/1349114364.db2.gz WWXZUTDXABGUKN-LLVKDONJSA-N -1 3 335.323 2.111 20 30 EEEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001590241466 1349220567 /nfs/dbraw/zinc/22/05/67/1349220567.db2.gz WZRPBEUDDCYQID-HWPZZCPQSA-N -1 3 328.351 2.208 20 30 EEEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001590241466 1349220572 /nfs/dbraw/zinc/22/05/72/1349220572.db2.gz WZRPBEUDDCYQID-HWPZZCPQSA-N -1 3 328.351 2.208 20 30 EEEDHM CCOC(=O)C(C)(C)ON=Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001590750193 1349396330 /nfs/dbraw/zinc/39/63/30/1349396330.db2.gz WKZOYEBCDRQAIY-UHFFFAOYSA-N -1 3 331.376 2.176 20 30 EEEDHM CCOC(=O)C(C)(C)ON=Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001590750193 1349396338 /nfs/dbraw/zinc/39/63/38/1349396338.db2.gz WKZOYEBCDRQAIY-UHFFFAOYSA-N -1 3 331.376 2.176 20 30 EEEDHM CN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC001590977715 1349427539 /nfs/dbraw/zinc/42/75/39/1349427539.db2.gz BXGRTKYYPUAODZ-MDZDMXLPSA-N -1 3 330.351 2.415 20 30 EEEDHM CN(C(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC001590977715 1349427543 /nfs/dbraw/zinc/42/75/43/1349427543.db2.gz BXGRTKYYPUAODZ-MDZDMXLPSA-N -1 3 330.351 2.415 20 30 EEEDHM COc1cc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)ccc1-c1nnn[n-]1 ZINC001591512303 1349495109 /nfs/dbraw/zinc/49/51/09/1349495109.db2.gz BJNCVNUUWUNVQH-PIGZYNQJSA-N -1 3 340.387 2.078 20 30 EEEDHM COc1cc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)ccc1-c1nn[n-]n1 ZINC001591512303 1349495121 /nfs/dbraw/zinc/49/51/21/1349495121.db2.gz BJNCVNUUWUNVQH-PIGZYNQJSA-N -1 3 340.387 2.078 20 30 EEEDHM Cc1cc(COC(=O)COc2ccc(-c3nn[n-]n3)cc2)ccc1C#N ZINC001591971982 1349573826 /nfs/dbraw/zinc/57/38/26/1349573826.db2.gz QTPYRVGNUJEWMH-UHFFFAOYSA-N -1 3 349.350 2.169 20 30 EEEDHM Cn1c2ccccc2sc1=NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592542505 1349654227 /nfs/dbraw/zinc/65/42/27/1349654227.db2.gz JBMLECYSVXOGKG-UHFFFAOYSA-N -1 3 335.396 2.355 20 30 EEEDHM Cn1c2ccccc2sc1=NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001592542505 1349654228 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C#Cc1cccc(NC(=O)N2Cc3cccc(-c4nn[n-]n4)c3C2)c1 ZINC001602741581 1350578885 /nfs/dbraw/zinc/57/88/85/1350578885.db2.gz OWSNMKYOVBQDSD-UHFFFAOYSA-N -1 3 330.351 2.396 20 30 EEEDHM C=C(C)CN(CC)C(=O)[C@@H](C)N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001602758690 1350582898 /nfs/dbraw/zinc/58/28/98/1350582898.db2.gz NOZFNMGINIETSV-GFCCVEGCSA-N -1 3 348.476 2.173 20 30 EEEDHM C=C(C)CN(CC)C(=O)[C@@H](C)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001602758690 1350582903 /nfs/dbraw/zinc/58/29/03/1350582903.db2.gz NOZFNMGINIETSV-GFCCVEGCSA-N -1 3 348.476 2.173 20 30 EEEDHM C=CC(C)(C)C(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001602785024 1350586000 /nfs/dbraw/zinc/58/60/00/1350586000.db2.gz JUPLWBKUURJVRB-PHIMTYICSA-N -1 3 344.394 2.277 20 30 EEEDHM C=CC(C)(C)C(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001602785024 1350586006 /nfs/dbraw/zinc/58/60/06/1350586006.db2.gz JUPLWBKUURJVRB-PHIMTYICSA-N -1 3 344.394 2.277 20 30 EEEDHM C=C[C@H](C(=O)[O-])N1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC001602804934 1350589219 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C=CCN(Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001602859839 1350597608 /nfs/dbraw/zinc/59/76/08/1350597608.db2.gz MOJDMZHTEDOEIU-UHFFFAOYSA-N -1 3 335.371 2.482 20 30 EEEDHM C=CCN(Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001602859839 1350597613 /nfs/dbraw/zinc/59/76/13/1350597613.db2.gz MOJDMZHTEDOEIU-UHFFFAOYSA-N -1 3 335.371 2.482 20 30 EEEDHM CC(=NNC(=S)NC1CCCCC1)c1ccccc1-c1nnn[n-]1 ZINC001602906612 1350604318 /nfs/dbraw/zinc/60/43/18/1350604318.db2.gz PFEUUPXKERRECK-UHFFFAOYSA-N -1 3 343.460 2.388 20 30 EEEDHM CC(=NNC(=S)NC1CCCCC1)c1ccccc1-c1nn[n-]n1 ZINC001602906612 1350604321 /nfs/dbraw/zinc/60/43/21/1350604321.db2.gz PFEUUPXKERRECK-UHFFFAOYSA-N -1 3 343.460 2.388 20 30 EEEDHM C[C@@H](C#N)CN(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001602983478 1350618609 /nfs/dbraw/zinc/61/86/09/1350618609.db2.gz JTJDYVZBODANFD-JTQLQIEISA-N -1 3 325.376 2.367 20 30 EEEDHM C[C@@H](C#N)CN(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001602983478 1350618612 /nfs/dbraw/zinc/61/86/12/1350618612.db2.gz 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CCn1ncc(C=C2CCCc3cc(-c4nn[n-]n4)ccc3C2=O)n1 ZINC001604620196 1350971531 /nfs/dbraw/zinc/97/15/31/1350971531.db2.gz DEDAVIODBGLUAS-FMIVXFBMSA-N -1 3 335.371 2.081 20 30 EEEDHM CN(C(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1)[C@H]1CCC[C@H]1C#N ZINC001604649582 1350977056 /nfs/dbraw/zinc/97/70/56/1350977056.db2.gz PFVJLFWCNKVOKW-GWCFXTLKSA-N -1 3 335.371 2.112 20 30 EEEDHM C[C@H]1CN(Cc2c3ccccc3[nH]c2C(=O)[O-])C[C@H](C)N1CC#N ZINC001604797719 1351007519 /nfs/dbraw/zinc/00/75/19/1351007519.db2.gz LRYPLZFTOMNVEX-STQMWFEESA-N -1 3 326.400 2.284 20 30 EEEDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C1(C#N)CC2(CC2)C1 ZINC001605167917 1351093690 /nfs/dbraw/zinc/09/36/90/1351093690.db2.gz UTPYZISBPZLOOX-UHFFFAOYSA-N -1 3 339.355 2.002 20 30 EEEDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C1(C#N)CC2(CC2)C1 ZINC001605167917 1351093692 /nfs/dbraw/zinc/09/36/92/1351093692.db2.gz UTPYZISBPZLOOX-UHFFFAOYSA-N -1 3 339.355 2.002 20 30 EEEDHM N#Cc1cc(NC(=O)c2nccc3occc32)ccc1-c1nnn[n-]1 ZINC001606361445 1351297137 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EEEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)o1 ZINC001188088605 1368281864 /nfs/dbraw/zinc/28/18/64/1368281864.db2.gz MEGVBIRHQZYQHU-UHFFFAOYSA-N -1 3 332.168 2.332 20 30 EEEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cn(C2CC2)nn1 ZINC000860467860 1369468869 /nfs/dbraw/zinc/46/88/69/1369468869.db2.gz ODJCPIRTQOIDQV-GFCCVEGCSA-N -1 3 329.747 2.228 20 30 EEEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCC(=C)CC1 ZINC001342283911 1372942642 /nfs/dbraw/zinc/94/26/42/1372942642.db2.gz NNMBQOBVJRSPAW-UHFFFAOYSA-N -1 3 348.414 2.468 20 30 EEEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCC(=C)CC1 ZINC001342283911 1372942646 /nfs/dbraw/zinc/94/26/46/1372942646.db2.gz NNMBQOBVJRSPAW-UHFFFAOYSA-N -1 3 348.414 2.468 20 30 EEEDHM COc1cc(C#N)ccc1C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001362591245 1373435993 /nfs/dbraw/zinc/43/59/93/1373435993.db2.gz MNVGVXYUAKIWFG-UHFFFAOYSA-N -1 3 342.355 2.498 20 30 EEEDHM COc1cc(C#N)ccc1C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001362591245 1373435999 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Cc1ccc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC001592096854 1403992472 /nfs/dbraw/zinc/99/24/72/1403992472.db2.gz FEVUUVQPLYEEOY-QGZVFWFLSA-N -1 3 344.378 2.464 20 30 EEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H]1OCCc2ccccc21 ZINC001592700029 1404718122 /nfs/dbraw/zinc/71/81/22/1404718122.db2.gz XRAWSLCNKWEAMX-INIZCTEOSA-N -1 3 332.367 2.464 20 30 EEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@H]1OCCc2ccccc21 ZINC001592700029 1404718125 /nfs/dbraw/zinc/71/81/25/1404718125.db2.gz XRAWSLCNKWEAMX-INIZCTEOSA-N -1 3 332.367 2.464 20 30 EEEDHM N#Cc1cncc(NC2(CNC(=O)c3ccccc3[O-])CCCC2)n1 ZINC001104366523 759821345 /nfs/dbraw/zinc/82/13/45/759821345.db2.gz GQVFWNPCCNLRDT-UHFFFAOYSA-N -1 3 337.383 2.209 20 30 EEEDHM CC(C)C[C@@H](CNc1ccncc1C#N)NC(=O)c1ccccc1[O-] ZINC001104898008 765526047 /nfs/dbraw/zinc/52/60/47/765526047.db2.gz QBVKTKHULJCCOD-HNNXBMFYSA-N -1 3 338.411 2.337 20 30 EEEDHM CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000919046516 769557435 /nfs/dbraw/zinc/55/74/35/769557435.db2.gz JTXRCMCKQXHRAH-MRVPVSSYSA-N -1 3 332.187 2.486 20 30 EEEDHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816754699 784240537 /nfs/dbraw/zinc/24/05/37/784240537.db2.gz KBPQGIGBMSGYFB-ZWNOBZJWSA-N -1 3 344.333 2.380 20 30 EEEDHM Cc1cccnc1Oc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000908408105 785390016 /nfs/dbraw/zinc/39/00/16/785390016.db2.gz ZSRDWNHTWXXDDY-OAHLLOKOSA-N -1 3 341.367 2.292 20 30 EEEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000908650798 785605652 /nfs/dbraw/zinc/60/56/52/785605652.db2.gz RPHZWNMAZOPFQR-OAHLLOKOSA-N -1 3 330.384 2.491 20 30 EEEDHM N#Cc1cnc(NC[C@H]2CCCCN2C(=O)c2ccccc2[O-])cn1 ZINC001060202388 785692294 /nfs/dbraw/zinc/69/22/94/785692294.db2.gz CWLRXDRWIVFVFJ-CQSZACIVSA-N -1 3 337.383 2.161 20 30 EEEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC000820471154 785935976 /nfs/dbraw/zinc/93/59/76/785935976.db2.gz OMXFYNKNEIRXGD-MNOVXSKESA-N -1 3 334.269 2.212 20 30 EEEDHM C#CCCCC(=O)NC[C@H]1CCCCN1C(=O)c1ccccc1[O-] 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EEEDHM C[C@H](CN1CCOCC1)/N=C\c1cc(Br)ccc1[O-] ZINC000915980000 797464906 /nfs/dbraw/zinc/46/49/06/797464906.db2.gz VZZSAPSFRVHNGS-WIWNTQSISA-N -1 3 327.222 2.294 20 30 EEEDHM CCN(CCO)c1ccc(C=NNc2nc(C)cc(=O)[n-]2)c(C)c1 ZINC000916241521 797556563 /nfs/dbraw/zinc/55/65/63/797556563.db2.gz HXMDTVYWMFIAQK-UHFFFAOYSA-N -1 3 329.404 2.064 20 30 EEEDHM C=CCC1(C(=O)N[C@@H](C)CCCCNCc2n[nH]c(=O)[n-]2)CCC1 ZINC001175089899 797997117 /nfs/dbraw/zinc/99/71/17/797997117.db2.gz QTINZMWGTZSBSH-ZDUSSCGKSA-N -1 3 335.452 2.021 20 30 EEEDHM COc1ccc(CNN=Cc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1 ZINC000917547539 798266011 /nfs/dbraw/zinc/26/60/11/798266011.db2.gz VESIVJZATCISOX-UHFFFAOYSA-N -1 3 331.328 2.441 20 30 EEEDHM Cc1nc(N2CCC[C@@H]2CNC(=O)c2ccccc2[O-])ccc1C#N ZINC001061294380 799953331 /nfs/dbraw/zinc/95/33/31/799953331.db2.gz GWBJTWGDMNMFHS-OAHLLOKOSA-N -1 3 336.395 2.366 20 30 EEEDHM N#Cc1ccc(NCC[C@@H]2CCN(C(=O)c3ccccc3[O-])C2)nn1 ZINC001066264476 800583425 /nfs/dbraw/zinc/58/34/25/800583425.db2.gz 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CC(N=Nc1nccn(C)c1=O)c1cc(Br)ccc1[O-] ZINC000748081053 577954650 /nfs/dbraw/zinc/95/46/50/577954650.db2.gz WSNHLTXZGSNHCQ-UHFFFAOYSA-N -1 3 337.177 2.085 20 30 EEEDHM N#Cc1ccc([C@@H](C(=O)[O-])N2CCC[C@@H](N3CCCCC3=O)C2)cc1 ZINC000739105611 578039015 /nfs/dbraw/zinc/03/90/15/578039015.db2.gz NETUSYAKFBQNOM-AEFFLSMTSA-N -1 3 341.411 2.161 20 30 EEEDHM C[C@@H](COc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000739945040 578074839 /nfs/dbraw/zinc/07/48/39/578074839.db2.gz KPIXVQDZDXCTKQ-LBPRGKRZSA-N -1 3 334.372 2.443 20 30 EEEDHM N#Cc1c2c(sc1NC(=O)CCN1CCC(C(=O)[O-])CC1)CCC2 ZINC000740311200 578089860 /nfs/dbraw/zinc/08/98/60/578089860.db2.gz OPRAOAWUPRBIMK-UHFFFAOYSA-N -1 3 347.440 2.234 20 30 EEEDHM C#CCCNC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000735375135 578149954 /nfs/dbraw/zinc/14/99/54/578149954.db2.gz UNQNWEQGLZWIEH-UHFFFAOYSA-N -1 3 347.378 2.199 20 30 EEEDHM C#CCCNC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000735375135 578149955 /nfs/dbraw/zinc/14/99/55/578149955.db2.gz 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EEEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(=O)n(CC3CC3)c2)c1 ZINC001190677919 1281016461 /nfs/dbraw/zinc/01/64/61/1281016461.db2.gz YHKARBFBROBJQQ-UHFFFAOYSA-N -1 3 347.371 2.070 20 30 EEEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC001196187946 1283924506 /nfs/dbraw/zinc/92/45/06/1283924506.db2.gz GXSJJKFEOGMMCV-SNVBAGLBSA-N -1 3 332.223 2.061 20 30 EEEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cn2)CC1 ZINC001196178489 1283937738 /nfs/dbraw/zinc/93/77/38/1283937738.db2.gz CWLIWZOYIRZBTF-JGZJWPJOSA-N -1 3 344.234 2.205 20 30 EEEDHM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3cn[nH]c3C(N)=O)c2)c1 ZINC001196298417 1283995056 /nfs/dbraw/zinc/99/50/56/1283995056.db2.gz USHDLUCIQOVBAL-UHFFFAOYSA-N -1 3 347.334 2.005 20 30 EEEDHM N#Cc1cnccc1N1CC=C(CNC(=O)c2ccccc2[O-])CC1 ZINC001069809819 1286156911 /nfs/dbraw/zinc/15/69/11/1286156911.db2.gz UIELVODLZAXQKL-UHFFFAOYSA-N -1 3 334.379 2.225 20 30 EEEDHM C#CCC1(C(=O)N[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]2C)CCC1 ZINC001071632320 1294706315 /nfs/dbraw/zinc/70/63/15/1294706315.db2.gz DASFFAHNTLYFSL-GOEBONIOSA-N -1 3 340.423 2.163 20 30 EEEDHM CCC(C#N)(CC)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000861772685 1295534939 /nfs/dbraw/zinc/53/49/39/1295534939.db2.gz XWWLQAWJIRKYGQ-NSHDSACASA-N -1 3 333.354 2.233 20 30 EEEDHM Cn1cc(CN2C[C@H]3C[C@@H](C2)N3Cc2cccc([O-])c2F)cc1C#N ZINC001276845104 1299892148 /nfs/dbraw/zinc/89/21/48/1299892148.db2.gz GWQQWBYHWLNRJW-CALCHBBNSA-N -1 3 340.402 2.200 20 30 EEEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CCN(c3ccnc(Cl)n3)C2)[n-]1 ZINC001225469708 1301011105 /nfs/dbraw/zinc/01/11/05/1301011105.db2.gz NDINTBCATHMBCY-SNVBAGLBSA-N -1 3 331.763 2.068 20 30 EEEDHM C[C@@H]1C[C@H](Oc2nccc(/C=N/[O-])n2)CCN1C(=O)OC(C)(C)C ZINC001226254102 1301324043 /nfs/dbraw/zinc/32/40/43/1301324043.db2.gz QZGBOHGCRYLZEK-CZQJNWOCSA-N -1 3 336.392 2.452 20 30 EEEDHM CC[C@@H](O)C(=O)Oc1ccc([O-])c2c1C(=O)C(Cl)=C(Cl)C2=O ZINC001229377272 1302754347 /nfs/dbraw/zinc/75/43/47/1302754347.db2.gz AKNXWUXIOOLHJP-RXMQYKEDSA-N -1 3 345.134 2.137 20 30 EEEDHM N#Cc1cncc(NCC2(NC(=O)c3ccccc3[O-])CCCC2)n1 ZINC001103409316 1302920792 /nfs/dbraw/zinc/92/07/92/1302920792.db2.gz WKXNJARFMVAYHF-UHFFFAOYSA-N -1 3 337.383 2.209 20 30 EEEDHM C=CC[C@H](CC)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000798551369 1305026100 /nfs/dbraw/zinc/02/61/00/1305026100.db2.gz RNPPZDWLAQOVJK-LBPRGKRZSA-N -1 3 340.420 2.351 20 30 EEEDHM CC(C)(C)OC(=O)N1CCN(Cc2cc([O-])cc(F)c2)[C@@H](C#N)C1 ZINC001237278030 1305875926 /nfs/dbraw/zinc/87/59/26/1305875926.db2.gz VOQQJNKQWXOTHO-AWEZNQCLSA-N -1 3 335.379 2.476 20 30 EEEDHM C=CCCCNC(=S)N1CCC[C@H]1C(=O)[N-]C(=O)OC(C)(C)C ZINC001247738080 1310705400 /nfs/dbraw/zinc/70/54/00/1310705400.db2.gz BZHCTPPFYATWOY-LBPRGKRZSA-N -1 3 341.477 2.343 20 30 EEEDHM C/C=C(/C)COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000842846069 1315784630 /nfs/dbraw/zinc/78/46/30/1315784630.db2.gz HYNWVHFRICVFQZ-MCWZUMHDSA-N -1 3 336.413 2.013 20 30 EEEDHM N#Cc1ccc2[n-]c(C(=O)NC[C@H]3Cc4ccccc4O3)cc(=O)c2c1 ZINC001154560106 1317205038 /nfs/dbraw/zinc/20/50/38/1317205038.db2.gz WYHKVXVHZVOINH-CQSZACIVSA-N -1 3 345.358 2.133 20 30 EEEDHM COc1nc(C)nc(Cl)c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC001258045646 1319152764 /nfs/dbraw/zinc/15/27/64/1319152764.db2.gz SRVHJDUDSPEXSG-UHFFFAOYSA-N -1 3 338.776 2.120 20 30 EEEDHM C/C(=C/C(=O)C(F)(F)F)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001259093960 1319439549 /nfs/dbraw/zinc/43/95/49/1319439549.db2.gz KEUKWLUUUFKQKJ-XQRVVYSFSA-N -1 3 329.246 2.278 20 30 EEEDHM Cn1c2ccccc2nc1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260037949 1319780300 /nfs/dbraw/zinc/78/03/00/1319780300.db2.gz IUAUFRSGDNFWRF-UHFFFAOYSA-N -1 3 326.381 2.387 20 30 EEEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCC(=O)C(C)(C)C2)n1 ZINC001166975943 1321829010 /nfs/dbraw/zinc/82/90/10/1321829010.db2.gz DKDOVRJCBCUTGU-GIDUJCDVSA-N -1 3 328.825 2.465 20 30 EEEDHM C=C1CCN(c2nnc(-c3ccc(-c4nnn[n-]4)cc3)n2CC)CC1 ZINC001263041520 1322426465 /nfs/dbraw/zinc/42/64/65/1322426465.db2.gz JBJZTHMNMLKQAZ-UHFFFAOYSA-N -1 3 336.403 2.302 20 30 EEEDHM C=C1CCN(c2nnc(-c3ccc(-c4nn[n-]n4)cc3)n2CC)CC1 ZINC001263041520 1322426469 /nfs/dbraw/zinc/42/64/69/1322426469.db2.gz JBJZTHMNMLKQAZ-UHFFFAOYSA-N -1 3 336.403 2.302 20 30 EEEDHM C=CCCCC(=O)N[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@H]1C ZINC001208455284 1324507060 /nfs/dbraw/zinc/50/70/60/1324507060.db2.gz JFDGKLVFYVCAJY-CZUORRHYSA-N -1 3 344.459 2.352 20 30 EEEDHM O=C(CC1CCCC1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001306894479 1331496291 /nfs/dbraw/zinc/49/62/91/1331496291.db2.gz KHMCGAVORCKAEE-UHFFFAOYSA-N -1 3 330.384 2.471 20 30 EEEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1CC)c1ccccc1 ZINC001309618436 1331635524 /nfs/dbraw/zinc/63/55/24/1331635524.db2.gz DCAHCSOVNRLOTA-CYBMUJFWSA-N -1 3 347.392 2.281 20 30 EEEDHM C#CC1CCN(c2cccc(Br)c2-c2nnn[n-]2)CC1 ZINC001609019840 1351816544 /nfs/dbraw/zinc/81/65/44/1351816544.db2.gz IFPPZKFNKDLDJX-UHFFFAOYSA-N -1 3 332.205 2.479 20 30 EEEDHM C#CC1CCN(c2cccc(Br)c2-c2nn[n-]n2)CC1 ZINC001609019840 1351816546 /nfs/dbraw/zinc/81/65/46/1351816546.db2.gz IFPPZKFNKDLDJX-UHFFFAOYSA-N -1 3 332.205 2.479 20 30 EEEDHM C#CCOc1ccccc1CNC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001609021641 1351816901 /nfs/dbraw/zinc/81/69/01/1351816901.db2.gz PHABUQBOUHSNIO-UHFFFAOYSA-N -1 3 347.378 2.117 20 30 EEEDHM C#CCOc1ccccc1CNC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001609021641 1351816906 /nfs/dbraw/zinc/81/69/06/1351816906.db2.gz PHABUQBOUHSNIO-UHFFFAOYSA-N -1 3 347.378 2.117 20 30 EEEDHM C#CCO[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC001609021250 1351816996 /nfs/dbraw/zinc/81/69/96/1351816996.db2.gz MHKPHPGZBAZVGR-JTQLQIEISA-N -1 3 345.428 2.174 20 30 EEEDHM C#CCO[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC001609021250 1351816997 /nfs/dbraw/zinc/81/69/97/1351816997.db2.gz MHKPHPGZBAZVGR-JTQLQIEISA-N -1 3 345.428 2.174 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCCCF ZINC001609056495 1351826761 /nfs/dbraw/zinc/82/67/61/1351826761.db2.gz MHJVLCLKWKOCEM-UHFFFAOYSA-N -1 3 332.383 2.314 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCCCF ZINC001609056495 1351826765 /nfs/dbraw/zinc/82/67/65/1351826765.db2.gz MHJVLCLKWKOCEM-UHFFFAOYSA-N -1 3 332.383 2.314 20 30 EEEDHM CCC[C@H](C)N(C)C(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609204792 1351890898 /nfs/dbraw/zinc/89/08/98/1351890898.db2.gz OXXPSSPJRUNQRL-SWLSCSKDSA-N -1 3 326.404 2.196 20 30 EEEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C#N)o1 ZINC001609214144 1351896396 /nfs/dbraw/zinc/89/63/96/1351896396.db2.gz NTDOIEPCJHXDPT-UHFFFAOYSA-N -1 3 336.355 2.384 20 30 EEEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C#N)o1 ZINC001609214144 1351896398 /nfs/dbraw/zinc/89/63/98/1351896398.db2.gz NTDOIEPCJHXDPT-UHFFFAOYSA-N -1 3 336.355 2.384 20 30 EEEDHM O=C(CC#Cc1ccccc1)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609519749 1352002752 /nfs/dbraw/zinc/00/27/52/1352002752.db2.gz KQJIVRGZWCHPGQ-UHFFFAOYSA-N -1 3 346.346 2.034 20 30 EEEDHM O=C(CC#Cc1ccccc1)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609519749 1352002756 /nfs/dbraw/zinc/00/27/56/1352002756.db2.gz KQJIVRGZWCHPGQ-UHFFFAOYSA-N -1 3 346.346 2.034 20 30 EEEDHM C=C[C@H](CC)CC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001333787778 1336133674 /nfs/dbraw/zinc/13/36/74/1336133674.db2.gz AVRAMZQYQLJGBX-LLVKDONJSA-N -1 3 328.409 2.416 20 30 EEEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001340460405 1337189353 /nfs/dbraw/zinc/18/93/53/1337189353.db2.gz ZKYCXMKQKOQUMZ-CYBMUJFWSA-N -1 3 326.404 2.419 20 30 EEEDHM N#CCOc1cc(F)ccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000847573226 1338175198 /nfs/dbraw/zinc/17/51/98/1338175198.db2.gz GLXYSWMNJOCUKT-UHFFFAOYSA-N -1 3 328.303 2.353 20 30 EEEDHM COc1cc(C(=O)N[C@H](C)c2cccc(C#N)c2)ccc1-c1nnn[n-]1 ZINC001579898626 1344429383 /nfs/dbraw/zinc/42/93/83/1344429383.db2.gz QNNQIMJTGGEOBV-LLVKDONJSA-N -1 3 348.366 2.238 20 30 EEEDHM COc1cc(C(=O)N[C@H](C)c2cccc(C#N)c2)ccc1-c1nn[n-]n1 ZINC001579898626 1344429386 /nfs/dbraw/zinc/42/93/86/1344429386.db2.gz QNNQIMJTGGEOBV-LLVKDONJSA-N -1 3 348.366 2.238 20 30 EEEDHM COc1cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1C#N ZINC001579898007 1344429666 /nfs/dbraw/zinc/42/96/66/1344429666.db2.gz FCJOVTHDYBPUCA-NSHDSACASA-N -1 3 348.366 2.238 20 30 EEEDHM COc1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1C#N ZINC001579898007 1344429668 /nfs/dbraw/zinc/42/96/68/1344429668.db2.gz FCJOVTHDYBPUCA-NSHDSACASA-N -1 3 348.366 2.238 20 30 EEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)NCCc1ccc(C#N)cc1 ZINC001580612173 1344543488 /nfs/dbraw/zinc/54/34/88/1344543488.db2.gz JSFSXNHXOHDZTO-UHFFFAOYSA-N -1 3 346.394 2.328 20 30 EEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)NCCc1ccc(C#N)cc1 ZINC001580612173 1344543489 /nfs/dbraw/zinc/54/34/89/1344543489.db2.gz JSFSXNHXOHDZTO-UHFFFAOYSA-N -1 3 346.394 2.328 20 30 EEEDHM Cc1nsc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1C#N ZINC001580621061 1344545110 /nfs/dbraw/zinc/54/51/10/1344545110.db2.gz GIPPGAGQERFCJC-UHFFFAOYSA-N -1 3 325.357 2.064 20 30 EEEDHM Cc1nsc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1C#N ZINC001580621061 1344545114 /nfs/dbraw/zinc/54/51/14/1344545114.db2.gz GIPPGAGQERFCJC-UHFFFAOYSA-N -1 3 325.357 2.064 20 30 EEEDHM N#C[C@H]1CC[C@@H](NC(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001581859932 1344680516 /nfs/dbraw/zinc/68/05/16/1344680516.db2.gz DAKZPNGHXDSLNT-GXSJLCMTSA-N -1 3 345.794 2.012 20 30 EEEDHM N#C[C@H]1CC[C@@H](NC(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001581859932 1344680518 /nfs/dbraw/zinc/68/05/18/1344680518.db2.gz DAKZPNGHXDSLNT-GXSJLCMTSA-N -1 3 345.794 2.012 20 30 EEEDHM N#Cc1cccc([N+](=O)[O-])c1CSc1ccc(-c2nnn[n-]2)cn1 ZINC001581875698 1344684132 /nfs/dbraw/zinc/68/41/32/1344684132.db2.gz LIUPOFGKADKHPZ-UHFFFAOYSA-N -1 3 339.340 2.334 20 30 EEEDHM N#Cc1cccc([N+](=O)[O-])c1CSc1ccc(-c2nn[n-]n2)cn1 ZINC001581875698 1344684141 /nfs/dbraw/zinc/68/41/41/1344684141.db2.gz LIUPOFGKADKHPZ-UHFFFAOYSA-N -1 3 339.340 2.334 20 30 EEEDHM C#CC[C@@H](COC)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001588334019 1348891033 /nfs/dbraw/zinc/89/10/33/1348891033.db2.gz LQFRRSARYIPBBP-JTQLQIEISA-N -1 3 325.294 2.336 20 30 EEEDHM C#CC[C@@H](COC)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001588334019 1348891038 /nfs/dbraw/zinc/89/10/38/1348891038.db2.gz LQFRRSARYIPBBP-JTQLQIEISA-N -1 3 325.294 2.336 20 30 EEEDHM C#Cc1ccc(CN2CCO[C@@H](c3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC001588373831 1348895985 /nfs/dbraw/zinc/89/59/85/1348895985.db2.gz UOGYHMAPJQQZJH-LJQANCHMSA-N -1 3 345.406 2.422 20 30 EEEDHM C#Cc1ccc(C(=O)Nc2c(-c3nnn[n-]3)c(C)c3ccccn32)nc1 ZINC001588373503 1348896896 /nfs/dbraw/zinc/89/68/96/1348896896.db2.gz NTHCMVHBXMCZIE-UHFFFAOYSA-N -1 3 343.350 2.056 20 30 EEEDHM C#Cc1ccc(C(=O)Nc2c(-c3nn[n-]n3)c(C)c3ccccn32)nc1 ZINC001588373503 1348896902 /nfs/dbraw/zinc/89/69/02/1348896902.db2.gz NTHCMVHBXMCZIE-UHFFFAOYSA-N -1 3 343.350 2.056 20 30 EEEDHM C#Cc1ccc(CNC(=O)[C@H](C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588373604 1348897001 /nfs/dbraw/zinc/89/70/01/1348897001.db2.gz ODAUIMSTFJFYGP-CQSZACIVSA-N -1 3 345.406 2.343 20 30 EEEDHM C#Cc1ccc(CNC(=O)[C@H](C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588373604 1348897006 /nfs/dbraw/zinc/89/70/06/1348897006.db2.gz ODAUIMSTFJFYGP-CQSZACIVSA-N -1 3 345.406 2.343 20 30 EEEDHM C=C(C)C[C@@H](C)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001588405963 1348901528 /nfs/dbraw/zinc/90/15/28/1348901528.db2.gz QRTAXMQWXARUNZ-VXGBXAGGSA-N -1 3 343.387 2.339 20 30 EEEDHM C=C(C)C[C@@H](C)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001588405963 1348901530 /nfs/dbraw/zinc/90/15/30/1348901530.db2.gz QRTAXMQWXARUNZ-VXGBXAGGSA-N -1 3 343.387 2.339 20 30 EEEDHM C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588416334 1348903178 /nfs/dbraw/zinc/90/31/78/1348903178.db2.gz USQZQYWNYYOVFY-OLZOCXBDSA-N -1 3 343.435 2.313 20 30 EEEDHM C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588416334 1348903181 /nfs/dbraw/zinc/90/31/81/1348903181.db2.gz USQZQYWNYYOVFY-OLZOCXBDSA-N -1 3 343.435 2.313 20 30 EEEDHM C=CC(C)(C)C(=O)N[C@H](C)CCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588475848 1348907979 /nfs/dbraw/zinc/90/79/79/1348907979.db2.gz PCLIYDVGEDLINF-LLVKDONJSA-N -1 3 343.435 2.089 20 30 EEEDHM C=CC(C)(C)C(=O)N[C@H](C)CCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588475848 1348907989 /nfs/dbraw/zinc/90/79/89/1348907989.db2.gz PCLIYDVGEDLINF-LLVKDONJSA-N -1 3 343.435 2.089 20 30 EEEDHM C=CCN(C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC001588626025 1348924301 /nfs/dbraw/zinc/92/43/01/1348924301.db2.gz RNHLKXHJQKLDQS-LBPRGKRZSA-N -1 3 329.404 2.447 20 30 EEEDHM C=CCN(C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC001588626025 1348924304 /nfs/dbraw/zinc/92/43/04/1348924304.db2.gz RNHLKXHJQKLDQS-LBPRGKRZSA-N -1 3 329.404 2.447 20 30 EEEDHM C=CCN(C(C)C)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl ZINC001588625783 1348924475 /nfs/dbraw/zinc/92/44/75/1348924475.db2.gz QHIQVPFIFCWGNN-UHFFFAOYSA-N -1 3 341.824 2.105 20 30 EEEDHM C=CCN(C(C)C)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl ZINC001588625783 1348924476 /nfs/dbraw/zinc/92/44/76/1348924476.db2.gz QHIQVPFIFCWGNN-UHFFFAOYSA-N -1 3 341.824 2.105 20 30 EEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@@H](C)C1 ZINC001588639960 1348926453 /nfs/dbraw/zinc/92/64/53/1348926453.db2.gz HBDMNOPLWYNFLA-CYBMUJFWSA-N -1 3 326.404 2.317 20 30 EEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@@H](C)C1 ZINC001588639960 1348926455 /nfs/dbraw/zinc/92/64/55/1348926455.db2.gz HBDMNOPLWYNFLA-CYBMUJFWSA-N -1 3 326.404 2.317 20 30 EEEDHM C=CCOc1ccc(CNC(=O)c2csc(-c3nnn[n-]3)c2)cc1 ZINC001588689946 1348929298 /nfs/dbraw/zinc/92/92/98/1348929298.db2.gz PKJTZDMSJZDIIQ-UHFFFAOYSA-N -1 3 341.396 2.423 20 30 EEEDHM CC(C)(C)C1CCC(C#N)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001589099094 1348958368 /nfs/dbraw/zinc/95/83/68/1348958368.db2.gz IPAIDBXHBDKALE-UHFFFAOYSA-N -1 3 341.419 2.423 20 30 EEEDHM CC(C)(C)C1CCC(C#N)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001589099094 1348958369 /nfs/dbraw/zinc/95/83/69/1348958369.db2.gz IPAIDBXHBDKALE-UHFFFAOYSA-N -1 3 341.419 2.423 20 30 EEEDHM CC(C)(C)CN(CCC#N)C(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001589129340 1348963453 /nfs/dbraw/zinc/96/34/53/1348963453.db2.gz PAOMVPOFZJJZDP-UHFFFAOYSA-N -1 3 347.810 2.317 20 30 EEEDHM CC(C)(Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)CCCCC#N ZINC001589301089 1348981334 /nfs/dbraw/zinc/98/13/34/1348981334.db2.gz VNRIKOGVKDVADO-UHFFFAOYSA-N -1 3 326.404 2.388 20 30 EEEDHM CC(C)(Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)CCCCC#N ZINC001589301089 1348981337 /nfs/dbraw/zinc/98/13/37/1348981337.db2.gz VNRIKOGVKDVADO-UHFFFAOYSA-N -1 3 326.404 2.388 20 30 EEEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)CC1(C#N)CC1 ZINC001589752917 1349029211 /nfs/dbraw/zinc/02/92/11/1349029211.db2.gz KRAROARQQLAPSS-UHFFFAOYSA-N -1 3 326.360 2.286 20 30 EEEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)CC1(C#N)CC1 ZINC001589752917 1349029215 /nfs/dbraw/zinc/02/92/15/1349029215.db2.gz KRAROARQQLAPSS-UHFFFAOYSA-N -1 3 326.360 2.286 20 30 EEEDHM C[C@@H](CC#N)C(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001589786206 1349042275 /nfs/dbraw/zinc/04/22/75/1349042275.db2.gz FWNODDVXJXFMMK-GZMMTYOYSA-N -1 3 338.293 2.136 20 30 EEEDHM C[C@@H](CC#N)C(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001589786206 1349042281 /nfs/dbraw/zinc/04/22/81/1349042281.db2.gz FWNODDVXJXFMMK-GZMMTYOYSA-N -1 3 338.293 2.136 20 30 EEEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1ccc(C#N)cc1 ZINC001590024092 1349114160 /nfs/dbraw/zinc/11/41/60/1349114160.db2.gz WWXZUTDXABGUKN-NSHDSACASA-N -1 3 335.323 2.111 20 30 EEEDHM C[C@@H]1CCCN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)[C@@H]1C ZINC001590256502 1349232830 /nfs/dbraw/zinc/23/28/30/1349232830.db2.gz FRWLBZZYWSXCSD-XJKCOSOUSA-N -1 3 338.415 2.196 20 30 EEEDHM Cc1csc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC001592315793 1349621007 /nfs/dbraw/zinc/62/10/07/1349621007.db2.gz BJNDCAUTLFZRPY-UHFFFAOYSA-N -1 3 340.368 2.126 20 30 EEEDHM Cn1cc(C=CC(=O)c2ccccc2-c2nnn[n-]2)c(C(F)F)n1 ZINC001592566716 1349659319 /nfs/dbraw/zinc/65/93/19/1349659319.db2.gz GZBUDXXHAQZINF-SREVYHEPSA-N -1 3 330.298 2.434 20 30 EEEDHM Cn1cc(C=CC(=O)c2ccccc2-c2nn[n-]n2)c(C(F)F)n1 ZINC001592566716 1349659327 /nfs/dbraw/zinc/65/93/27/1349659327.db2.gz GZBUDXXHAQZINF-SREVYHEPSA-N -1 3 330.298 2.434 20 30 EEEDHM N#C[C@]1(NC(=O)c2cccc(-c3nnn[n-]3)c2)CCc2ccccc2C1 ZINC001592671081 1349703603 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N#Cc1ccc2c(c1)CN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)C2 ZINC001592698175 1349707905 /nfs/dbraw/zinc/70/79/05/1349707905.db2.gz MDJAYQOLCXZMIM-BQYQJAHWSA-N -1 3 342.362 2.294 20 30 EEEDHM N#Cc1ccc2c(c1)CN(C(=O)C=Cc1ccccc1-c1nn[n-]n1)C2 ZINC001592698175 1349707906 /nfs/dbraw/zinc/70/79/06/1349707906.db2.gz MDJAYQOLCXZMIM-BQYQJAHWSA-N -1 3 342.362 2.294 20 30 EEEDHM N#Cc1ccccc1C=CC(=O)N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001592703445 1349709271 /nfs/dbraw/zinc/70/92/71/1349709271.db2.gz XDWQTGHOMOGCLH-SOFGYWHQSA-N -1 3 342.362 2.341 20 30 EEEDHM N#Cc1ccccc1C=CC(=O)N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001592703445 1349709273 /nfs/dbraw/zinc/70/92/73/1349709273.db2.gz XDWQTGHOMOGCLH-SOFGYWHQSA-N -1 3 342.362 2.341 20 30 EEEDHM N#Cc1ccccc1N1CCC(Nc2cnccc2-c2nnn[n-]2)CC1 ZINC001592701499 1349709361 /nfs/dbraw/zinc/70/93/61/1349709361.db2.gz IEAAWUSWGSUIDD-UHFFFAOYSA-N -1 3 346.398 2.214 20 30 EEEDHM N#Cc1ccccc1N1CCC(Nc2cnccc2-c2nn[n-]n2)CC1 ZINC001592701499 1349709382 /nfs/dbraw/zinc/70/93/82/1349709382.db2.gz IEAAWUSWGSUIDD-UHFFFAOYSA-N -1 3 346.398 2.214 20 30 EEEDHM O=c1ccc2c([nH]1)CCC(=Cc1cccc(F)c1-c1nnn[n-]1)C2=O ZINC001593379410 1349794855 /nfs/dbraw/zinc/79/48/55/1349794855.db2.gz DUBQDHHAANRFKW-CSKARUKUSA-N -1 3 337.314 2.319 20 30 EEEDHM O=c1ccc2c([nH]1)CCC(=Cc1cccc(F)c1-c1nn[n-]n1)C2=O ZINC001593379410 1349794859 /nfs/dbraw/zinc/79/48/59/1349794859.db2.gz DUBQDHHAANRFKW-CSKARUKUSA-N -1 3 337.314 2.319 20 30 EEEDHM C#CCCCCCOC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001602711209 1350576007 /nfs/dbraw/zinc/57/60/07/1350576007.db2.gz NMMGFIWQRDSXPK-ZDUSSCGKSA-N -1 3 328.372 2.371 20 30 EEEDHM C#CCCCCCOC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001602711209 1350576009 /nfs/dbraw/zinc/57/60/09/1350576009.db2.gz NMMGFIWQRDSXPK-ZDUSSCGKSA-N -1 3 328.372 2.371 20 30 EEEDHM C#CCOc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001602731974 1350577706 /nfs/dbraw/zinc/57/77/06/1350577706.db2.gz KHLOHZXWTHINGS-UHFFFAOYSA-N -1 3 334.335 2.236 20 30 EEEDHM C#CCOc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001602731974 1350577709 /nfs/dbraw/zinc/57/77/09/1350577709.db2.gz KHLOHZXWTHINGS-UHFFFAOYSA-N -1 3 334.335 2.236 20 30 EEEDHM C#Cc1cccc(NC(=O)CN(C)C[C@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC001602742259 1350579836 /nfs/dbraw/zinc/57/98/36/1350579836.db2.gz LQYTXDFFYFTNDD-WBVHZDCISA-N -1 3 328.412 2.429 20 30 EEEDHM C=C(C)[C@H](Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)OCC ZINC001602753278 1350581756 /nfs/dbraw/zinc/58/17/56/1350581756.db2.gz NJKFEEUMKNPCPH-ZDUSSCGKSA-N -1 3 326.360 2.440 20 30 EEEDHM C=C(C)[C@H](Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)OCC ZINC001602753278 1350581757 /nfs/dbraw/zinc/58/17/57/1350581757.db2.gz NJKFEEUMKNPCPH-ZDUSSCGKSA-N -1 3 326.360 2.440 20 30 EEEDHM C=C(C)CCC(=O)N[C@H](C)[C@@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001602756409 1350582135 /nfs/dbraw/zinc/58/21/35/1350582135.db2.gz MZTSLAGCBVOXAV-CHWSQXEVSA-N -1 3 343.435 2.232 20 30 EEEDHM C=C(C)CCC(=O)N[C@H](C)[C@@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001602756409 1350582137 /nfs/dbraw/zinc/58/21/37/1350582137.db2.gz MZTSLAGCBVOXAV-CHWSQXEVSA-N -1 3 343.435 2.232 20 30 EEEDHM C=C(C)CCC(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001602756686 1350583075 /nfs/dbraw/zinc/58/30/75/1350583075.db2.gz VMKCCKCYDBWFFD-AWEZNQCLSA-N -1 3 341.419 2.021 20 30 EEEDHM C=C(C)CCC(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001602756686 1350583078 /nfs/dbraw/zinc/58/30/78/1350583078.db2.gz VMKCCKCYDBWFFD-AWEZNQCLSA-N -1 3 341.419 2.021 20 30 EEEDHM C=C[C@H]1CCCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001602803266 1350589238 /nfs/dbraw/zinc/58/92/38/1350589238.db2.gz JXYFWZIRZBEAKA-ZDUSSCGKSA-N -1 3 330.367 2.256 20 30 EEEDHM C=C[C@H]1CCCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001602803266 1350589242 /nfs/dbraw/zinc/58/92/42/1350589242.db2.gz JXYFWZIRZBEAKA-ZDUSSCGKSA-N -1 3 330.367 2.256 20 30 EEEDHM C=CCOCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001602870532 1350598883 /nfs/dbraw/zinc/59/88/83/1350598883.db2.gz LQISRCCOJMIXDH-UHFFFAOYSA-N -1 3 328.376 2.068 20 30 EEEDHM C=CCOCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001602870532 1350598885 /nfs/dbraw/zinc/59/88/85/1350598885.db2.gz LQISRCCOJMIXDH-UHFFFAOYSA-N -1 3 328.376 2.068 20 30 EEEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)[nH]2)nnc1N(C)CC(C)(C)C ZINC001602875503 1350599648 /nfs/dbraw/zinc/59/96/48/1350599648.db2.gz GNCBWGMVYNQKQK-UHFFFAOYSA-N -1 3 341.423 2.122 20 30 EEEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)[nH]2)nnc1N(C)CC(C)(C)C ZINC001602875503 1350599650 /nfs/dbraw/zinc/59/96/50/1350599650.db2.gz GNCBWGMVYNQKQK-UHFFFAOYSA-N -1 3 341.423 2.122 20 30 EEEDHM C[C@@H](C#N)CNc1cc(Br)c(-c2nnn[n-]2)cc1F ZINC001602989412 1350619558 /nfs/dbraw/zinc/61/95/58/1350619558.db2.gz QSNILAIJBYDPLM-LURJTMIESA-N -1 3 325.145 2.340 20 30 EEEDHM C[C@@H](C#N)CNc1cc(Br)c(-c2nn[n-]n2)cc1F ZINC001602989412 1350619561 /nfs/dbraw/zinc/61/95/61/1350619561.db2.gz QSNILAIJBYDPLM-LURJTMIESA-N -1 3 325.145 2.340 20 30 EEEDHM CC(C)C1(CNC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001603238037 1350668253 /nfs/dbraw/zinc/66/82/53/1350668253.db2.gz KENNFVYKPATIML-OAHLLOKOSA-N -1 3 338.415 2.101 20 30 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