smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cc2c(nc(-c3ccccn3)nc2N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC001164629824 719107515 /nfs/dbraw/zinc/10/75/15/719107515.db2.gz TXAOMJANFWLTTB-KNQAVFIVSA-N 1 1 427.577 4.854 20 0 IJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1ccc3ccnc(Cl)c3c1)CC2 ZINC001164649698 719309917 /nfs/dbraw/zinc/30/99/17/719309917.db2.gz QUEGXTIYHJYEBN-UHFFFAOYSA-N 1 1 433.934 4.835 20 0 IJADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc(Cl)nc4ccsc42)CC3)cc1 ZINC001164672238 719502881 /nfs/dbraw/zinc/50/28/81/719502881.db2.gz HLBJEVRYDLELRQ-UHFFFAOYSA-N 1 1 431.964 4.960 20 0 IJADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc(Cl)nc4ccsc42)CC3)cc1 ZINC001164672238 719502886 /nfs/dbraw/zinc/50/28/86/719502886.db2.gz HLBJEVRYDLELRQ-UHFFFAOYSA-N 1 1 431.964 4.960 20 0 IJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cc(C)nc(Cl)c2)CC3)cs1 ZINC001164691851 719803864 /nfs/dbraw/zinc/80/38/64/719803864.db2.gz KWXOYWWICVGXFN-UHFFFAOYSA-N 1 1 426.964 4.988 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cc(C)nc(Cl)c2)CC3)cs1 ZINC001164691851 719803865 /nfs/dbraw/zinc/80/38/65/719803865.db2.gz KWXOYWWICVGXFN-UHFFFAOYSA-N 1 1 426.964 4.988 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nccnc2C2SCCCS2)CC3)cs1 ZINC001164692596 719806324 /nfs/dbraw/zinc/80/63/24/719806324.db2.gz KNICYMHVGKRSOZ-UHFFFAOYSA-N 1 1 447.699 4.745 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nnc(Cl)c4cccc(C)c42)CC3)cs1 ZINC001164693785 719808342 /nfs/dbraw/zinc/80/83/42/719808342.db2.gz RFRLXRWASLLTBO-UHFFFAOYSA-N 1 1 428.005 4.992 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)ccc2CN2CCCC2)CC3)cs1 ZINC001164693101 719809889 /nfs/dbraw/zinc/80/98/89/719809889.db2.gz QCRHUPAUMBNESK-UHFFFAOYSA-N 1 1 446.064 4.731 20 0 IJADMO COc1ccccc1-c1ccc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)nn1 ZINC001164692188 719813946 /nfs/dbraw/zinc/81/39/46/719813946.db2.gz NLLWFCKHMMEZLC-UHFFFAOYSA-N 1 1 435.597 4.552 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc4nc(Cl)cnc4cc2F)CC3)cs1 ZINC001164691639 719814455 /nfs/dbraw/zinc/81/44/55/719814455.db2.gz ITKBVJALUOWMJT-UHFFFAOYSA-N 1 1 431.968 4.822 20 0 IJADMO COc1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c2cc(Cl)ccc12 ZINC001164696967 719892822 /nfs/dbraw/zinc/89/28/22/719892822.db2.gz IRGIVFVRARKFKZ-UHFFFAOYSA-N 1 1 444.000 4.830 20 0 IJADMO Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164697063 719894434 /nfs/dbraw/zinc/89/44/34/719894434.db2.gz JDQXWDBZGNWRDB-UHFFFAOYSA-N 1 1 427.948 4.521 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3scc(-c4cccs4)c31)C2 ZINC001164810408 720092032 /nfs/dbraw/zinc/09/20/32/720092032.db2.gz LRIQWEPWUJOSCH-UZUQRXQVSA-N 1 1 440.638 4.605 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)C2 ZINC001164811116 720103659 /nfs/dbraw/zinc/10/36/59/720103659.db2.gz LMNRMJAQVJPEEB-DENIHFKCSA-N 1 1 435.946 4.618 20 0 IJADMO Cc1sc2ncnc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1-c1ccccc1 ZINC001164734423 720439822 /nfs/dbraw/zinc/43/98/22/720439822.db2.gz RZARAGGDWQJEJF-RTWAWAEBSA-N 1 1 427.577 4.915 20 0 IJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H](O)[C@H]2Cc2ccccc2)n1 ZINC001164830271 720493938 /nfs/dbraw/zinc/49/39/38/720493938.db2.gz AARYLLODPGNWSA-FGZHOGPDSA-N 1 1 444.604 4.602 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(Cl)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833848 720511940 /nfs/dbraw/zinc/51/19/40/720511940.db2.gz DRQHITNHIIBYMO-HYVNUMGLSA-N 1 1 444.357 4.508 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)ncc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840031 720512168 /nfs/dbraw/zinc/51/21/68/720512168.db2.gz VZGLSYIRJVINIY-RLFYNMQTSA-N 1 1 444.357 4.508 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc4ccc(Cl)cc4nc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842503 720529391 /nfs/dbraw/zinc/52/93/91/720529391.db2.gz XYRZRAJGKGHHTC-OXFYSEKESA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cc4c(Cl)ccnc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839635 720539569 /nfs/dbraw/zinc/53/95/69/720539569.db2.gz QWYVTCOFVJXRSB-TXPKVOOTSA-N 1 1 445.398 4.511 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3[nH]cc(Cl)c31)CC2 ZINC001164838137 720660425 /nfs/dbraw/zinc/66/04/25/720660425.db2.gz GASJIYUBDQIQGT-MRXNPFEDSA-N 1 1 446.382 4.525 20 0 IJADMO Cc1sc2nc(C)nc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2c1C ZINC001164839528 720689105 /nfs/dbraw/zinc/68/91/05/720689105.db2.gz ALLPOWSEMYATKK-NRFANRHFSA-N 1 1 436.625 4.876 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cccc(OCc3ccccc3)n1)CC2 ZINC001164841644 720705661 /nfs/dbraw/zinc/70/56/61/720705661.db2.gz VGOZMWXOZSOYAN-RUZDIDTESA-N 1 1 443.591 4.921 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncccc1OCc1ccccc1)CC2 ZINC001164840263 720710734 /nfs/dbraw/zinc/71/07/34/720710734.db2.gz OJLMYWZUEYWFIE-VWLOTQADSA-N 1 1 443.591 4.921 20 0 IJADMO COc1cc2ccnc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2cc1F ZINC001164836943 720726249 /nfs/dbraw/zinc/72/62/49/720726249.db2.gz BZXFPRQBEFETHC-OAQYLSRUSA-N 1 1 435.543 4.642 20 0 IJADMO Clc1ccnc(Cl)c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749823 720887484 /nfs/dbraw/zinc/88/74/84/720887484.db2.gz ASDCXBVLYKOYGX-WMZHIEFXSA-N 1 1 447.410 4.539 20 0 IJADMO CC(C)(C)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164753241 720938846 /nfs/dbraw/zinc/93/88/46/720938846.db2.gz REDWDXQKCTYAOD-SHQCIBLASA-N 1 1 434.628 4.529 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncnc3scc(-c4ccccc4)c31)[C@H]2C ZINC001164861168 720941504 /nfs/dbraw/zinc/94/15/04/720941504.db2.gz SBCXYNUCJMXNGK-KRWDZBQOSA-N 1 1 432.597 4.976 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc(OCc3ccccc3)cc1Cl)[C@@H]2C ZINC001164857244 720994500 /nfs/dbraw/zinc/99/45/00/720994500.db2.gz FENQMZPSDJNQHR-GOSISDBHSA-N 1 1 439.991 4.932 20 0 IJADMO COc1cc2c(cc1F)cc(Cl)nc2N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164861275 721023460 /nfs/dbraw/zinc/02/34/60/721023460.db2.gz NZQCWRAXCLGZDK-CQSZACIVSA-N 1 1 431.943 4.654 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@H](COc4cccnc4)CC[C@@H]32)nc1 ZINC001164878768 721252239 /nfs/dbraw/zinc/25/22/39/721252239.db2.gz VNNXWEBQAWZADJ-NDBXHCKUSA-N 1 1 436.600 4.619 20 0 IJADMO Cc1cccc(N2CCC[C@]3(C2)CN(c2nc(Cl)ccc2C[NH+]2CCCC2)CCO3)c1 ZINC001164775523 721304624 /nfs/dbraw/zinc/30/46/24/721304624.db2.gz YPDVJXUSQBKLEE-VWLOTQADSA-N 1 1 441.019 4.515 20 0 IJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc4cccc(Cl)c43)C2)C1 ZINC001164779757 721352235 /nfs/dbraw/zinc/35/22/35/721352235.db2.gz VUSPOPNFXXQZCL-DEOSSOPVSA-N 1 1 440.975 4.612 20 0 IJADMO Fc1ccc2nc(-c3ccccc3F)nc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164789180 721401822 /nfs/dbraw/zinc/40/18/22/721401822.db2.gz UAQCGBQCUPFXFN-IYBDPMFKSA-N 1 1 449.530 4.600 20 0 IJADMO Fc1ccc2nc(-c3ccccc3F)nc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164789180 721401823 /nfs/dbraw/zinc/40/18/23/721401823.db2.gz UAQCGBQCUPFXFN-IYBDPMFKSA-N 1 1 449.530 4.600 20 0 IJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3c(Cl)cccc3n1)CC2 ZINC001164785588 721458884 /nfs/dbraw/zinc/45/88/84/721458884.db2.gz MFPRVOGKGHBMDH-HXUWFJFHSA-N 1 1 444.019 4.622 20 0 IJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)Cc2ccccc2CN(C)C3=O)nc1 ZINC001164892666 721473997 /nfs/dbraw/zinc/47/39/97/721473997.db2.gz HIWKVANIYWFYKB-VWLOTQADSA-N 1 1 446.639 4.820 20 0 IJADMO Cc1ccc2nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c(Cl)nc2c1 ZINC001164904339 721701875 /nfs/dbraw/zinc/70/18/75/721701875.db2.gz FRLSHCXWJVFKEZ-QFIPXVFZSA-N 1 1 443.929 4.724 20 0 IJADMO COc1ccc2c(C)cc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2c1 ZINC001164908314 721712522 /nfs/dbraw/zinc/71/25/22/721712522.db2.gz WZEMGTTVGDPWJS-DEOSSOPVSA-N 1 1 438.522 4.685 20 0 IJADMO Fc1cc2ncc(Cl)nc2cc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164912287 721728406 /nfs/dbraw/zinc/72/84/06/721728406.db2.gz NSENAXRYTYRFJQ-OAQYLSRUSA-N 1 1 447.892 4.555 20 0 IJADMO FC(F)c1nc2ccccc2c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912825 721728911 /nfs/dbraw/zinc/72/89/11/721728911.db2.gz QLLRMGXIAVXEMY-QFIPXVFZSA-N 1 1 445.464 4.700 20 0 IJADMO Cc1c(Cl)nc(C(C)C)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164913101 721734203 /nfs/dbraw/zinc/73/42/03/721734203.db2.gz SQZPPRMUOMEFNJ-OAQYLSRUSA-N 1 1 435.950 4.695 20 0 IJADMO Cc1c(Cl)nc(CC(C)C)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164913376 721734299 /nfs/dbraw/zinc/73/42/99/721734299.db2.gz UTILWCOCATWPBB-QFIPXVFZSA-N 1 1 449.977 4.770 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3cccc(F)c31)C2 ZINC001164907911 721751052 /nfs/dbraw/zinc/75/10/52/721751052.db2.gz DBRVBGIAFWZSAL-UHFFFAOYSA-N 1 1 437.906 4.605 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3cccc(F)c31)C2 ZINC001164907911 721751061 /nfs/dbraw/zinc/75/10/61/721751061.db2.gz DBRVBGIAFWZSAL-UHFFFAOYSA-N 1 1 437.906 4.605 20 0 IJADMO Cc1ccc(-c2ccc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nn2)cc1 ZINC001164910604 721760004 /nfs/dbraw/zinc/76/00/04/721760004.db2.gz JCDIMAAEMULZLM-UHFFFAOYSA-N 1 1 425.536 4.635 20 0 IJADMO Cc1ccc(-c2ccc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nn2)cc1 ZINC001164910604 721760006 /nfs/dbraw/zinc/76/00/06/721760006.db2.gz JCDIMAAEMULZLM-UHFFFAOYSA-N 1 1 425.536 4.635 20 0 IJADMO CC[C@H](C)c1nc2[nH]ccc2c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164912537 721766234 /nfs/dbraw/zinc/76/62/34/721766234.db2.gz YZPPQJIHOJNYLJ-KRWDZBQOSA-N 1 1 430.556 4.654 20 0 IJADMO CC[C@H](C)c1nc2[nH]ccc2c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164912537 721766237 /nfs/dbraw/zinc/76/62/37/721766237.db2.gz YZPPQJIHOJNYLJ-KRWDZBQOSA-N 1 1 430.556 4.654 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc(-c4c[nH]c5ccccc45)n3)C[C@@H]21 ZINC001165027641 721811124 /nfs/dbraw/zinc/81/11/24/721811124.db2.gz VKGASJOYWOVLRC-FRPAHBMMSA-N 1 1 438.579 4.757 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(NC(=O)OC(C)(C)C)cn3)C[C@@H]21 ZINC001165026222 721822014 /nfs/dbraw/zinc/82/20/14/721822014.db2.gz OKCHSIGTLAPJLU-BVYCBKJFSA-N 1 1 437.588 4.561 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(NC(=O)OC(C)(C)C)cn3)C[C@H]21 ZINC001165026237 721822220 /nfs/dbraw/zinc/82/22/20/721822220.db2.gz OKCHSIGTLAPJLU-VLCRHTCISA-N 1 1 437.588 4.561 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4nc(Cl)cnc4cc3F)C[C@H]21 ZINC001165025271 721826390 /nfs/dbraw/zinc/82/63/90/721826390.db2.gz MNKLWAWXSLQWID-LUQKVYGDSA-N 1 1 425.939 4.554 20 0 IJADMO Cc1cnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1-c1ccccc1F ZINC001165025197 721830563 /nfs/dbraw/zinc/83/05/63/721830563.db2.gz MELMUVQBGNVJLW-KWOQKUFVSA-N 1 1 431.559 4.723 20 0 IJADMO Cc1sc2nc(C)nc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c2c1C ZINC001164939766 721925740 /nfs/dbraw/zinc/92/57/40/721925740.db2.gz MWJMWYFSNSQXME-UHFFFAOYSA-N 1 1 436.625 4.796 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)cc(C(C)(C)C)n4)CC3)C2)cc1 ZINC001164938645 721930033 /nfs/dbraw/zinc/93/00/33/721930033.db2.gz CHMMYJALKKRMOU-UHFFFAOYSA-N 1 1 429.008 4.607 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C)nc(-c5cccs5)n4)CC3)C2)cc1 ZINC001164938618 721932175 /nfs/dbraw/zinc/93/21/75/721932175.db2.gz AZODMMGSIWHUEX-UHFFFAOYSA-N 1 1 434.609 4.693 20 0 IJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCN(Cc3cccnc3)c3nc(C)ccc3C2)nc1 ZINC001164952251 722006518 /nfs/dbraw/zinc/00/65/18/722006518.db2.gz LZHFNKPTJALGAH-RUZDIDTESA-N 1 1 442.611 4.754 20 0 IJADMO Clc1ccc2nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c(Cl)nc2c1 ZINC001164953601 722015886 /nfs/dbraw/zinc/01/58/86/722015886.db2.gz VPAMDYOCZKXDOJ-UHFFFAOYSA-N 1 1 428.367 4.824 20 0 IJADMO Clc1cc2ncnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2cc1Cl ZINC001164955906 722019792 /nfs/dbraw/zinc/01/97/92/722019792.db2.gz RZOJMOMYYWOXPJ-UHFFFAOYSA-N 1 1 428.367 4.824 20 0 IJADMO Cc1ccc2c(c1)cc(Cl)nc2N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963363 722058237 /nfs/dbraw/zinc/05/82/37/722058237.db2.gz XMKHXGPNGGERSD-UHFFFAOYSA-N 1 1 436.987 4.711 20 0 IJADMO Cc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc2c(Cl)cccc12 ZINC001164961690 722058521 /nfs/dbraw/zinc/05/85/21/722058521.db2.gz OFVLPURZTJHNAT-UHFFFAOYSA-N 1 1 436.987 4.711 20 0 IJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC[C@@H](C(=O)NCC4CC4)C3)CC2)nc1 ZINC001164983611 722091832 /nfs/dbraw/zinc/09/18/32/722091832.db2.gz UDBUNXOQPSWISY-VWNXMTODSA-N 1 1 438.660 4.932 20 0 IJADMO COC(=O)C[C@@H](c1ccnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1)C1CC1 ZINC001164994832 722207139 /nfs/dbraw/zinc/20/71/39/722207139.db2.gz IOGQUKJNIMZPHO-BVAGGSTKSA-N 1 1 437.559 4.522 20 0 IJADMO Cc1ccc(-c2nc3c(ncnc3N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)o2)cc1 ZINC001164994021 722208353 /nfs/dbraw/zinc/20/83/53/722208353.db2.gz CYHAFJQXPWUQBQ-AREMUKBSSA-N 1 1 443.526 4.977 20 0 IJADMO O[C@@H](CCN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000019360476 563022593 /nfs/dbraw/zinc/02/25/93/563022593.db2.gz PSBXDOYFPJDNNH-MHZLTWQESA-N 1 1 430.592 4.534 20 0 IJADMO CC(=O)Nc1ccc(C[NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000039199764 563098771 /nfs/dbraw/zinc/09/87/71/563098771.db2.gz SXXSLMQONKKAHX-UHFFFAOYSA-N 1 1 435.518 4.830 20 0 IJADMO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164622533 719092791 /nfs/dbraw/zinc/09/27/91/719092791.db2.gz CBIDAYPVDRIUMW-HOTGVXAUSA-N 1 1 427.326 4.515 20 0 IJADMO Cc1sc2nc(C)nc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c2c1C ZINC001164672307 719507138 /nfs/dbraw/zinc/50/71/38/719507138.db2.gz JLIMIUGFMHMYBQ-UHFFFAOYSA-N 1 1 440.588 4.627 20 0 IJADMO Cc1sc2nc(C)nc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c2c1C ZINC001164672307 719507147 /nfs/dbraw/zinc/50/71/47/719507147.db2.gz JLIMIUGFMHMYBQ-UHFFFAOYSA-N 1 1 440.588 4.627 20 0 IJADMO COc1cccc2c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)cc(Cl)nc12 ZINC001164703364 719886323 /nfs/dbraw/zinc/88/63/23/719886323.db2.gz RQCKAYOEMPHZIB-UHFFFAOYSA-N 1 1 444.000 4.830 20 0 IJADMO COc1ccc2c(c1)nc(Cl)cc2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694701 719891981 /nfs/dbraw/zinc/89/19/81/719891981.db2.gz CLWVNKSGMFURRG-UHFFFAOYSA-N 1 1 444.000 4.830 20 0 IJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccccc3cc1Cl)CC2 ZINC001164719064 720110293 /nfs/dbraw/zinc/11/02/93/720110293.db2.gz VDRYTTRZDCUCAN-NRFANRHFSA-N 1 1 436.987 4.791 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccsc3)nc3ccccc31)C2 ZINC001164819400 720171915 /nfs/dbraw/zinc/17/19/15/720171915.db2.gz WUHUFQLPSFKPEP-CPJSRVTESA-N 1 1 434.609 4.543 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccc(C)s3)nc3ccccc31)C2 ZINC001164819184 720177743 /nfs/dbraw/zinc/17/77/43/720177743.db2.gz WKIZQKFIEGAYPQ-FQRUVTKNSA-N 1 1 448.636 4.851 20 0 IJADMO COc1ccc(-c2csc3ncnc(N4CC[C@H]5[C@H]4CC[N@H+]5Cc4cccnc4)c23)cc1 ZINC001164731547 720437011 /nfs/dbraw/zinc/43/70/11/720437011.db2.gz LVKHGHYWUOVDIC-FCHUYYIVSA-N 1 1 443.576 4.615 20 0 IJADMO Cc1ccc(-c2nc3ccccc3c(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n2)s1 ZINC001164726242 720452147 /nfs/dbraw/zinc/45/21/47/720452147.db2.gz BEMXNHPAAGNTHE-FCHUYYIVSA-N 1 1 427.577 4.915 20 0 IJADMO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730932 720464088 /nfs/dbraw/zinc/46/40/88/720464088.db2.gz JUZKMHSSYVARRE-NHCUHLMSSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730932 720464092 /nfs/dbraw/zinc/46/40/92/720464092.db2.gz JUZKMHSSYVARRE-NHCUHLMSSA-N 1 1 441.913 4.590 20 0 IJADMO Cc1nc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164728192 720469367 /nfs/dbraw/zinc/46/93/67/720469367.db2.gz NWDWAGDZBNJJRA-BJKOFHAPSA-N 1 1 433.987 4.586 20 0 IJADMO Cc1nc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164728195 720471597 /nfs/dbraw/zinc/47/15/97/720471597.db2.gz NWDWAGDZBNJJRA-ZEQRLZLVSA-N 1 1 433.987 4.586 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cnc(Cl)c(Cl)c3)CC[C@@H]21 ZINC001164833861 720511424 /nfs/dbraw/zinc/51/14/24/720511424.db2.gz DRSDUALASGQBPC-ZVZYQTTQSA-N 1 1 444.357 4.508 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3Cl)CC[C@@H]21 ZINC001164834025 720514051 /nfs/dbraw/zinc/51/40/51/720514051.db2.gz FDZYSUKRWOVTJW-VKJFTORMSA-N 1 1 444.357 4.508 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(Cl)cnc3Cl)CC[C@@H]21 ZINC001164841336 720514070 /nfs/dbraw/zinc/51/40/70/720514070.db2.gz YLPJHLFZUOUXMQ-HFTRVMKXSA-N 1 1 444.357 4.508 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4ccc(Cl)cc4nc3Cl)CC[C@@H]21 ZINC001164842501 720529048 /nfs/dbraw/zinc/52/90/48/720529048.db2.gz XYRZRAJGKGHHTC-KNBMTAEXSA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc4nc(Cl)cnc4cc3Cl)CC[C@@H]21 ZINC001164836830 720534461 /nfs/dbraw/zinc/53/44/61/720534461.db2.gz LGVHRZVDMWQPII-FTRWYGJKSA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)ccc3-c3ccccc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834670 720540904 /nfs/dbraw/zinc/54/09/04/720540904.db2.gz FRJIHZWWIIEQHI-FUPPJEDESA-N 1 1 436.003 4.976 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nccc4cc(F)c(Cl)cc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837745 720634213 /nfs/dbraw/zinc/63/42/13/720634213.db2.gz JAXSWZZVCUHGAD-NPPFBWRTSA-N 1 1 427.955 4.602 20 0 IJADMO Cc1cccc2c1nc(Cl)nc2N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844560 720681514 /nfs/dbraw/zinc/68/15/14/720681514.db2.gz UHHPZUSLPCVBDB-FQEVSTJZSA-N 1 1 436.987 4.852 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(F)c(-c3ccsc3)n1)CC2 ZINC001164841654 720726362 /nfs/dbraw/zinc/72/63/62/720726362.db2.gz VHXUDGHXRIPDMU-FQEVSTJZSA-N 1 1 438.572 4.604 20 0 IJADMO CSc1ccc2ncnc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164842822 720726900 /nfs/dbraw/zinc/72/69/00/720726900.db2.gz ZAFZKXUYLUSJRR-HXUWFJFHSA-N 1 1 434.609 4.612 20 0 IJADMO Cc1cccc2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc12 ZINC001164753395 720869076 /nfs/dbraw/zinc/86/90/76/720869076.db2.gz PGXQYSSIJUBBHP-LEAFIULHSA-N 1 1 442.607 4.693 20 0 IJADMO Clc1ccc(Cl)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164750879 720883715 /nfs/dbraw/zinc/88/37/15/720883715.db2.gz CCNBIIZTZFGZML-XXBNENTESA-N 1 1 447.410 4.539 20 0 IJADMO Fc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2ccccc12 ZINC001164756942 720892012 /nfs/dbraw/zinc/89/20/12/720892012.db2.gz SLEBRYLKDOEZHF-WXVAWEFUSA-N 1 1 446.570 4.524 20 0 IJADMO Cc1cc(Cl)c(C)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758749 720893909 /nfs/dbraw/zinc/89/39/09/720893909.db2.gz ZAQUZXSWFZAOJX-RDGATRHJSA-N 1 1 441.019 4.502 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nnc(Cc3ccccc3)c3ccccc31)[C@@H]2C ZINC001164859707 721000642 /nfs/dbraw/zinc/00/06/42/721000642.db2.gz LPIUWAMFALGSLO-HXUWFJFHSA-N 1 1 440.595 4.839 20 0 IJADMO c1ccc(-c2cc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc3ccccc32)cc1 ZINC001164872215 721138150 /nfs/dbraw/zinc/13/81/50/721138150.db2.gz GXEJIDDMZJYSGB-ZEQRLZLVSA-N 1 1 436.559 4.777 20 0 IJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc4cc(Cl)ccc4n3)C2)C1 ZINC001164776627 721336692 /nfs/dbraw/zinc/33/66/92/721336692.db2.gz HGYSUSPSRJTIJO-XMMPIXPASA-N 1 1 440.975 4.612 20 0 IJADMO CCc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164781398 721436824 /nfs/dbraw/zinc/43/68/24/721436824.db2.gz DMSVBWASZQULKO-CALCHBBNSA-N 1 1 441.988 4.509 20 0 IJADMO CCc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164781398 721436825 /nfs/dbraw/zinc/43/68/25/721436825.db2.gz DMSVBWASZQULKO-CALCHBBNSA-N 1 1 441.988 4.509 20 0 IJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)nc1 ZINC001164902878 721572327 /nfs/dbraw/zinc/57/23/27/721572327.db2.gz NBBPOZBSICZNME-DBCXENNUSA-N 1 1 436.575 4.869 20 0 IJADMO Fc1cc2ncc(Cl)nc2cc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164912285 721729315 /nfs/dbraw/zinc/72/93/15/721729315.db2.gz NSENAXRYTYRFJQ-NRFANRHFSA-N 1 1 447.892 4.555 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cnc(Cl)c(F)c1)C2 ZINC001164910833 721753698 /nfs/dbraw/zinc/75/36/98/721753698.db2.gz SJVWTSDPIQJREN-UHFFFAOYSA-N 1 1 436.865 4.602 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cnc(Cl)c(F)c1)C2 ZINC001164910833 721753699 /nfs/dbraw/zinc/75/36/99/721753699.db2.gz SJVWTSDPIQJREN-UHFFFAOYSA-N 1 1 436.865 4.602 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4ccnc(Cl)c4)ccn3)C[C@@H]21 ZINC001165027545 721805701 /nfs/dbraw/zinc/80/57/01/721805701.db2.gz WDPBURVSBRQROW-AKIFATBCSA-N 1 1 433.987 4.929 20 0 IJADMO Cc1cc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)s1 ZINC001165028701 721807853 /nfs/dbraw/zinc/80/78/53/721807853.db2.gz ZNUTZNDDZMQPQB-SNRMKQJTSA-N 1 1 428.005 4.785 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc(-c4c[nH]c5ccccc45)n3)C[C@H]21 ZINC001165027644 721811185 /nfs/dbraw/zinc/81/11/85/721811185.db2.gz VKGASJOYWOVLRC-GVCORALISA-N 1 1 438.579 4.757 20 0 IJADMO Cc1nc2c3ccccc3oc2c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165028865 721817467 /nfs/dbraw/zinc/81/74/67/721817467.db2.gz XVBQSURYRJNRCO-NYVOZVTQSA-N 1 1 427.552 4.816 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(OCc4ccccc4)n3)C[C@H]21 ZINC001165027325 721820055 /nfs/dbraw/zinc/82/00/55/721820055.db2.gz UIEMHYTZNKEZPT-ICDZXHCJSA-N 1 1 428.580 4.793 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(F)cc4ncnc(Cl)c43)C[C@@H]21 ZINC001165021623 721820691 /nfs/dbraw/zinc/82/06/91/721820691.db2.gz FITLEXIIVWUPKB-MOXGXCLJSA-N 1 1 425.939 4.554 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(NC(=O)OC(C)(C)C)cn3)C[C@H]21 ZINC001165026230 721822169 /nfs/dbraw/zinc/82/21/69/721822169.db2.gz OKCHSIGTLAPJLU-STZQEDGTSA-N 1 1 437.588 4.561 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(Cl)nc3-c3ccccc3)C[C@@H]21 ZINC001165019869 721826617 /nfs/dbraw/zinc/82/66/17/721826617.db2.gz CIFDZRNRDOJNRD-BAGYTPMASA-N 1 1 433.987 4.929 20 0 IJADMO CCOc1ccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nn2)cc1 ZINC001165024046 721827009 /nfs/dbraw/zinc/82/70/09/721827009.db2.gz JLBLAMBBSKIHHU-CVJWPJSTSA-N 1 1 443.595 4.674 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nnc(Cl)c4ccc(F)cc43)C[C@@H]21 ZINC001165027430 721828264 /nfs/dbraw/zinc/82/82/64/721828264.db2.gz SDLFMAFFUJNJNB-GQWLDOHISA-N 1 1 425.939 4.554 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(Cl)nc(Cl)nc3C3CC3)C[C@@H]21 ZINC001165028313 721830876 /nfs/dbraw/zinc/83/08/76/721830876.db2.gz VFLDHNPXVWGSHF-RYQLBKOJSA-N 1 1 432.399 4.793 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)C[C@@H]21 ZINC001165030194 721831962 /nfs/dbraw/zinc/83/19/62/721831962.db2.gz YRNYCDLCJKGYCD-JRGCBEDISA-N 1 1 446.973 4.987 20 0 IJADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2ccnc(Cl)c2F)CC1 ZINC001165022505 721838205 /nfs/dbraw/zinc/83/82/05/721838205.db2.gz ULIJCOLWHNPAKY-UHFFFAOYSA-N 1 1 443.897 4.537 20 0 IJADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cc(Cl)ncc2F)CC1 ZINC001165019298 721840900 /nfs/dbraw/zinc/84/09/00/721840900.db2.gz CHJIVVQEMZUFHK-UHFFFAOYSA-N 1 1 443.897 4.537 20 0 IJADMO FC(F)(c1nc(Cl)ncc1Cl)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001165044619 721939953 /nfs/dbraw/zinc/93/99/53/721939953.db2.gz PCEQFFLDZRIEGF-UHFFFAOYSA-N 1 1 444.700 4.857 20 0 IJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)nc1 ZINC001164951697 722005676 /nfs/dbraw/zinc/00/56/76/722005676.db2.gz IQIROKLOCUFKJK-RJGXRXQPSA-N 1 1 427.596 4.805 20 0 IJADMO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164952223 722017655 /nfs/dbraw/zinc/01/76/55/722017655.db2.gz JTIFUPJCOPWLHZ-UHFFFAOYSA-N 1 1 431.918 4.649 20 0 IJADMO Fc1ccc(COc2cccnc2N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001164955651 722023083 /nfs/dbraw/zinc/02/30/83/722023083.db2.gz LXPJBMIYFOOGJH-UHFFFAOYSA-N 1 1 432.543 4.687 20 0 IJADMO COc1ccc(-c2ccc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nn2)c(OC)c1 ZINC001164997788 722209885 /nfs/dbraw/zinc/20/98/85/722209885.db2.gz RRUIGGWXGNBUAR-SANMLTNESA-N 1 1 448.542 4.545 20 0 IJADMO c1cc2c(nc(-c3ccncc3)nc2N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC001164626823 719106823 /nfs/dbraw/zinc/10/68/23/719106823.db2.gz IYYJIKBOBHYSRZ-IRLDBZIGSA-N 1 1 427.577 4.854 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@@H](OCC4CCCC4)CC[C@@H]32)nc1 ZINC001164662561 719344008 /nfs/dbraw/zinc/34/40/08/719344008.db2.gz PFTZVXDVJJYTDP-APFRJGHOSA-N 1 1 427.633 4.962 20 0 IJADMO Fc1ccc(CN2CCOCC23CCN(c2[nH+]cnc4c2ccn4C2CCCC2)CC3)cc1 ZINC001164671499 719511452 /nfs/dbraw/zinc/51/14/52/719511452.db2.gz FGKFKLOSBWNYAH-UHFFFAOYSA-N 1 1 449.574 4.557 20 0 IJADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(C(F)F)nc4ccccc42)CC3)cc1 ZINC001164672584 719525627 /nfs/dbraw/zinc/52/56/27/719525627.db2.gz LHMYZEBSIZASNF-UHFFFAOYSA-N 1 1 442.485 4.578 20 0 IJADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(C(F)F)nc4ccccc42)CC3)cc1 ZINC001164672584 719525636 /nfs/dbraw/zinc/52/56/36/719525636.db2.gz LHMYZEBSIZASNF-UHFFFAOYSA-N 1 1 442.485 4.578 20 0 IJADMO COc1cccc2c1nc(Cl)nc2N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164693666 719808349 /nfs/dbraw/zinc/80/83/49/719808349.db2.gz QTRRNRVPNWESKU-UHFFFAOYSA-N 1 1 444.004 4.692 20 0 IJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cc(Cl)ncc2F)CC3)cs1 ZINC001164694097 719808480 /nfs/dbraw/zinc/80/84/80/719808480.db2.gz UTNKHNXDVJSDQW-UHFFFAOYSA-N 1 1 430.927 4.819 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cc(Cl)ncc2F)CC3)cs1 ZINC001164694097 719808481 /nfs/dbraw/zinc/80/84/81/719808481.db2.gz UTNKHNXDVJSDQW-UHFFFAOYSA-N 1 1 430.927 4.819 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4c2ccn4C2CCCC2)CC3)cs1 ZINC001164692612 719809607 /nfs/dbraw/zinc/80/96/07/719809607.db2.gz LHPDZKVEJSAVBX-UHFFFAOYSA-N 1 1 436.629 4.946 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc4c(Cl)nccc42)CC3)cs1 ZINC001164692697 719813051 /nfs/dbraw/zinc/81/30/51/719813051.db2.gz RDSVKVCINKIDJJ-UHFFFAOYSA-N 1 1 449.411 4.732 20 0 IJADMO CSc1ccc2ncnc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c2c1 ZINC001164704168 719816228 /nfs/dbraw/zinc/81/62/28/719816228.db2.gz XXYNBEGJSIIUQA-UHFFFAOYSA-N 1 1 425.627 4.752 20 0 IJADMO FC(F)(c1cnc(Cl)cc1Cl)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696160 719887872 /nfs/dbraw/zinc/88/78/72/719887872.db2.gz ZZNOEKPUEZTIFW-UHFFFAOYSA-N 1 1 448.366 4.866 20 0 IJADMO Cc1nc2c3ccccc3oc2c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164698416 719895032 /nfs/dbraw/zinc/89/50/32/719895032.db2.gz SPPFXIRXIOTPGE-UHFFFAOYSA-N 1 1 434.565 4.617 20 0 IJADMO Cc1nc2c3ccccc3oc2c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164698416 719895037 /nfs/dbraw/zinc/89/50/37/719895037.db2.gz SPPFXIRXIOTPGE-UHFFFAOYSA-N 1 1 434.565 4.617 20 0 IJADMO Cc1nc(C2CCCCC2)cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164699078 719896921 /nfs/dbraw/zinc/89/69/21/719896921.db2.gz WXHNDFDZSQAIRP-UHFFFAOYSA-N 1 1 426.630 4.766 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3scc(-c4ccc(C)cc4)c31)C2 ZINC001164808221 720103852 /nfs/dbraw/zinc/10/38/52/720103852.db2.gz DYPADUASCGFSNU-RLWLMLJZSA-N 1 1 448.636 4.851 20 0 IJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3ccc(Cl)cc31)CC2 ZINC001164714257 720110622 /nfs/dbraw/zinc/11/06/22/720110622.db2.gz BFGHSIYLZKRXKM-JOCHJYFZSA-N 1 1 436.987 4.791 20 0 IJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)c(Cl)cc1Cl)CC2 ZINC001164712595 720134423 /nfs/dbraw/zinc/13/44/23/720134423.db2.gz NSPMFPBKPMVYSI-GOSISDBHSA-N 1 1 435.399 4.599 20 0 IJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C3CCCCC3)nc(C)n1)CC2 ZINC001164710820 720137452 /nfs/dbraw/zinc/13/74/52/720137452.db2.gz DDXMEIMOYGFZGC-DEOSSOPVSA-N 1 1 449.643 4.735 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nnc(-c3ccc(F)cc3)c3ccccc31)C2 ZINC001164813707 720170926 /nfs/dbraw/zinc/17/09/26/720170926.db2.gz DRZRZGJHQPJRSA-IDISGSTGSA-N 1 1 446.570 4.621 20 0 IJADMO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164735061 720437807 /nfs/dbraw/zinc/43/78/07/720437807.db2.gz VMDNBALHRVPUIK-LEWJYISDSA-N 1 1 442.592 4.618 20 0 IJADMO Fc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)cc1 ZINC001164734448 720437877 /nfs/dbraw/zinc/43/78/77/720437877.db2.gz SEADDNYLYZEDAG-RPWUZVMVSA-N 1 1 425.511 4.684 20 0 IJADMO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164732905 720440208 /nfs/dbraw/zinc/44/02/08/720440208.db2.gz OUMVLVVRGJKLDL-RBUKOAKNSA-N 1 1 433.606 4.976 20 0 IJADMO Clc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164726896 720477827 /nfs/dbraw/zinc/47/78/27/720477827.db2.gz MXAVYANDBPKKFD-OALUTQOASA-N 1 1 442.350 4.824 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(F)cc4ccc(Cl)nc43)CC[C@@H]21 ZINC001164836387 720546967 /nfs/dbraw/zinc/54/69/67/720546967.db2.gz JWCWSABWOQTFRF-HOJAQTOUSA-N 1 1 427.955 4.602 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(SCc4ccccc4)ccn3)CC[C@@H]21 ZINC001164841580 720618710 /nfs/dbraw/zinc/61/87/10/720618710.db2.gz TXFZHHRFOHWDJM-LSQMVHIFSA-N 1 1 447.652 4.948 20 0 IJADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164843547 720636786 /nfs/dbraw/zinc/63/67/86/720636786.db2.gz XWZLWTRIJFJAHI-OJAHFUOMSA-N 1 1 431.028 4.526 20 0 IJADMO Cc1cccc2c1nc(Cl)nc2N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844561 720680968 /nfs/dbraw/zinc/68/09/68/720680968.db2.gz UHHPZUSLPCVBDB-HXUWFJFHSA-N 1 1 436.987 4.852 20 0 IJADMO CCc1c(Cl)nnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1CC ZINC001164843336 720691485 /nfs/dbraw/zinc/69/14/85/720691485.db2.gz ODVYPKAISDBMHB-IBGZPJMESA-N 1 1 429.008 4.515 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cccc(OCc3ccccc3)n1)CC2 ZINC001164841647 720705177 /nfs/dbraw/zinc/70/51/77/720705177.db2.gz VGOZMWXOZSOYAN-VWLOTQADSA-N 1 1 443.591 4.921 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc3c(n1)-c1ccccc1CC3)CC2 ZINC001164840408 720705402 /nfs/dbraw/zinc/70/54/02/720705402.db2.gz QNDNDTTVXNMUDC-XMMPIXPASA-N 1 1 440.591 4.502 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc(Oc3cccc(F)c3)n1)CC2 ZINC001164841684 720707448 /nfs/dbraw/zinc/70/74/48/720707448.db2.gz VSYHRALUQDDOFP-JOCHJYFZSA-N 1 1 448.542 4.668 20 0 IJADMO COc1cc2cnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)cc2cc1OC ZINC001164839085 720716432 /nfs/dbraw/zinc/71/64/32/720716432.db2.gz KOMPXPGRSKNXMD-HSZRJFAPSA-N 1 1 447.579 4.512 20 0 IJADMO COc1cc2cnc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)cc2cc1OC ZINC001164839085 720716442 /nfs/dbraw/zinc/71/64/42/720716442.db2.gz KOMPXPGRSKNXMD-HSZRJFAPSA-N 1 1 447.579 4.512 20 0 IJADMO Cc1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2c1 ZINC001164749146 720869866 /nfs/dbraw/zinc/86/98/66/720869866.db2.gz HIDKYZIOVMAEMG-LSYYVWMOSA-N 1 1 442.607 4.693 20 0 IJADMO Fc1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2c1 ZINC001164754580 720885599 /nfs/dbraw/zinc/88/55/99/720885599.db2.gz JLVIIDKOWHSCSD-KCWPFWIISA-N 1 1 446.570 4.524 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(F)ccc1Oc1ccc(Cl)nn1)[C@H]2C ZINC001164857192 721001906 /nfs/dbraw/zinc/00/19/06/721001906.db2.gz CVWFYINUTVPKNO-HNNXBMFYSA-N 1 1 444.942 4.679 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc3ccccc3nc1N1CCCC[C@@H]1C)[C@@H]2C ZINC001164861845 721002331 /nfs/dbraw/zinc/00/23/31/721002331.db2.gz QYJBFTXRYBKKAU-VQTJNVASSA-N 1 1 447.631 4.627 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cnc(Cl)nc1Oc1ccccc1)[C@@H]2C ZINC001164861627 721018480 /nfs/dbraw/zinc/01/84/80/721018480.db2.gz PCBDRGISVZYDGD-MRXNPFEDSA-N 1 1 426.952 4.540 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@H](COc4cccnc4)CC[C@H]32)nc1 ZINC001164878767 721251728 /nfs/dbraw/zinc/25/17/28/721251728.db2.gz VNNXWEBQAWZADJ-LIONHTAISA-N 1 1 436.600 4.619 20 0 IJADMO Cc1cccc(N2CCC[C@@]3(C2)CN(c2nc(Cl)ccc2C[NH+]2CCCC2)CCO3)c1 ZINC001164775522 721304462 /nfs/dbraw/zinc/30/44/62/721304462.db2.gz YPDVJXUSQBKLEE-RUZDIDTESA-N 1 1 441.019 4.515 20 0 IJADMO Cc1nc2scc(-c3cccs3)c2c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164782728 721426791 /nfs/dbraw/zinc/42/67/91/721426791.db2.gz HQKURPCXQORHTB-HUUCEWRRSA-N 1 1 439.635 4.753 20 0 IJADMO COc1ccc2c(c1)nc(N1C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C1)cc2-c1ccccc1 ZINC001164784642 721426841 /nfs/dbraw/zinc/42/68/41/721426841.db2.gz LKJPIQYEGUFNLN-BGYRXZFFSA-N 1 1 442.588 4.935 20 0 IJADMO COc1ccc2c(c1)nc(N1C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C1)cc2-c1ccccc1 ZINC001164784642 721426842 /nfs/dbraw/zinc/42/68/42/721426842.db2.gz LKJPIQYEGUFNLN-BGYRXZFFSA-N 1 1 442.588 4.935 20 0 IJADMO Cc1cc2c(nc(Cl)nc2N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)s1 ZINC001164792481 721493168 /nfs/dbraw/zinc/49/31/68/721493168.db2.gz PITPVCAGESGPRA-UHFFFAOYSA-N 1 1 428.005 4.929 20 0 IJADMO COc1cccc2c1nc(Cl)nc2N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164791939 721495155 /nfs/dbraw/zinc/49/51/55/721495155.db2.gz FOIYGBCXKLLTAJ-UHFFFAOYSA-N 1 1 437.975 4.568 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc3ccccc3nc1N1CCCC1)CC2 ZINC001164796945 721499114 /nfs/dbraw/zinc/49/91/14/721499114.db2.gz ZUNYYOVEUZVBGL-UHFFFAOYSA-N 1 1 442.611 4.506 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3c(Cl)nccc31)CC2 ZINC001164796700 721499526 /nfs/dbraw/zinc/49/95/26/721499526.db2.gz VPISWMLQLNBEAL-UHFFFAOYSA-N 1 1 443.382 4.608 20 0 IJADMO CCc1ccc(-c2ccc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nn2)cc1 ZINC001164795730 721501402 /nfs/dbraw/zinc/50/14/02/721501402.db2.gz KZVAJVWSJYVXFE-UHFFFAOYSA-N 1 1 427.596 4.982 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(-c3c(F)cccc3F)nn1)CC2 ZINC001164796666 721501407 /nfs/dbraw/zinc/50/14/07/721501407.db2.gz VAPIDDDBGVDDAA-UHFFFAOYSA-N 1 1 435.522 4.698 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1c(F)ccc3c(Cl)ncnc31)CC2 ZINC001164794688 721504175 /nfs/dbraw/zinc/50/41/75/721504175.db2.gz CYZJEWRJUHKNHK-UHFFFAOYSA-N 1 1 425.939 4.698 20 0 IJADMO Fc1cc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cnc1Cl ZINC001164907895 721701917 /nfs/dbraw/zinc/70/19/17/721701917.db2.gz VWYDBIHMVWVOEV-SFHVURJKSA-N 1 1 446.851 4.552 20 0 IJADMO Fc1ccc(Cl)nc1C(F)(F)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908405 721703087 /nfs/dbraw/zinc/70/30/87/721703087.db2.gz YXXHRKMAIXGCSG-GOSISDBHSA-N 1 1 446.851 4.552 20 0 IJADMO Cc1ccc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1Cl ZINC001164908570 721708104 /nfs/dbraw/zinc/70/81/04/721708104.db2.gz YCWHMFABQSLUEV-IBGZPJMESA-N 1 1 442.888 4.721 20 0 IJADMO Cc1cccc2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12 ZINC001164908106 721717428 /nfs/dbraw/zinc/71/74/28/721717428.db2.gz VSJCYZZCBUUFMA-JOCHJYFZSA-N 1 1 443.929 4.724 20 0 IJADMO Cc1c(Cl)nc(C2CCC2)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164909896 721736110 /nfs/dbraw/zinc/73/61/10/721736110.db2.gz FMFWOEIAFKZMSZ-QFIPXVFZSA-N 1 1 447.961 4.839 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1nc(Cl)ccc1F)C2 ZINC001164910133 721753556 /nfs/dbraw/zinc/75/35/56/721753556.db2.gz NYHJQVSXQPLNMY-UHFFFAOYSA-N 1 1 436.865 4.602 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1nc(Cl)ccc1F)C2 ZINC001164910133 721753561 /nfs/dbraw/zinc/75/35/61/721753561.db2.gz NYHJQVSXQPLNMY-UHFFFAOYSA-N 1 1 436.865 4.602 20 0 IJADMO COc1ccc2nc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)cc(C)c2c1 ZINC001164909541 721754035 /nfs/dbraw/zinc/75/40/35/721754035.db2.gz HKLZAYXEJXBDLV-UHFFFAOYSA-N 1 1 428.536 4.735 20 0 IJADMO COc1ccc2nc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)cc(C)c2c1 ZINC001164909541 721754042 /nfs/dbraw/zinc/75/40/42/721754042.db2.gz HKLZAYXEJXBDLV-UHFFFAOYSA-N 1 1 428.536 4.735 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(-c4cccc(Cl)n4)n3)C[C@H]21 ZINC001165026454 721812790 /nfs/dbraw/zinc/81/27/90/721812790.db2.gz QRAPUCURGVXYTB-JXHRLWIKSA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ncc3-c3ccccc3)C[C@H]21 ZINC001165024736 721813199 /nfs/dbraw/zinc/81/31/99/721813199.db2.gz KKCSJGDAUQWEJX-WWPVKYPJSA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc(Cc4ccccc4)n3)C[C@@H]21 ZINC001165028931 721819821 /nfs/dbraw/zinc/81/98/21/721819821.db2.gz YCWJJFFDPGKWEX-NKKJXINNSA-N 1 1 448.014 4.853 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cccc(OCc4ccccc4)n3)C[C@@H]21 ZINC001165027326 721819960 /nfs/dbraw/zinc/81/99/60/721819960.db2.gz UIEMHYTZNKEZPT-PZUNEJSGSA-N 1 1 428.580 4.793 20 0 IJADMO CCc1ccc(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nn2)cc1 ZINC001165028267 721826836 /nfs/dbraw/zinc/82/68/36/721826836.db2.gz UZZGQJQVUBOIDH-LLZJGCNPSA-N 1 1 427.596 4.838 20 0 IJADMO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001165027503 721829391 /nfs/dbraw/zinc/82/93/91/721829391.db2.gz SIRWKPYXTLAOSF-KSEOMHKRSA-N 1 1 449.002 4.632 20 0 IJADMO Cc1cc(-c2ccccc2F)nnc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026046 721830209 /nfs/dbraw/zinc/83/02/09/721830209.db2.gz ODBVIXAOIQYUJC-KIVTUJJHSA-N 1 1 431.559 4.723 20 0 IJADMO Cc1cnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1-c1ccccc1F ZINC001165025194 721830476 /nfs/dbraw/zinc/83/04/76/721830476.db2.gz MELMUVQBGNVJLW-BPUDTRNYSA-N 1 1 431.559 4.723 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(-c5ccnc(Cl)c5)ccn4)CC3)C2)cc1 ZINC001164938960 721923950 /nfs/dbraw/zinc/92/39/50/721923950.db2.gz DMCAMLNQKFWIOB-UHFFFAOYSA-N 1 1 448.998 4.977 20 0 IJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)nc1 ZINC001164951701 722005515 /nfs/dbraw/zinc/00/55/15/722005515.db2.gz IQIROKLOCUFKJK-XPWALMASSA-N 1 1 427.596 4.805 20 0 IJADMO CSc1cnc(Cl)c(C(F)(F)N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164956208 722021330 /nfs/dbraw/zinc/02/13/30/722021330.db2.gz YDSGCODIHPELCZ-UHFFFAOYSA-N 1 1 438.975 4.889 20 0 IJADMO c1ccc2c(c1)nc(-c1cccnc1)nc2N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955708 722021617 /nfs/dbraw/zinc/02/16/17/722021617.db2.gz OGMZPCAECCEOKI-UHFFFAOYSA-N 1 1 436.563 4.579 20 0 IJADMO c1ccc(-c2nc3ccccc3c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)n2)nc1 ZINC001164955469 722021939 /nfs/dbraw/zinc/02/19/39/722021939.db2.gz HYUXQEIROVJBJH-UHFFFAOYSA-N 1 1 436.563 4.579 20 0 IJADMO Cc1ccc2c(c1)nc(Cl)cc2N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963813 722057109 /nfs/dbraw/zinc/05/71/09/722057109.db2.gz MFXYZVRTIMBULP-UHFFFAOYSA-N 1 1 436.987 4.711 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3[C@H](C2)c2ccccc2[C@H]3NC(=O)N(C)C)nc1 ZINC001164982222 722098234 /nfs/dbraw/zinc/09/82/34/722098234.db2.gz NAUFUUVKBAYWKQ-OUJSJNLKSA-N 1 1 447.627 4.565 20 0 IJADMO Clc1cc(-c2ccccc2)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977464 722116769 /nfs/dbraw/zinc/11/67/69/722116769.db2.gz NHZZIXXUKPSJQR-GGAORHGYSA-N 1 1 434.971 4.524 20 0 IJADMO Clc1ccc2ccc(Cl)c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2n1 ZINC001164977174 722153607 /nfs/dbraw/zinc/15/36/07/722153607.db2.gz YERLYOIVPHRXEF-ICSRJNTNSA-N 1 1 443.378 4.664 20 0 IJADMO CC(=O)N1CC2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC2)c2cc(C)ccc21 ZINC001164988013 722189630 /nfs/dbraw/zinc/18/96/30/722189630.db2.gz CZBSAJWHDZHLBF-UHFFFAOYSA-N 1 1 439.003 4.544 20 0 IJADMO CCCOc1c(Br)cc(Br)cc1CNC[C@@H]1CCC[N@H+]1CC ZINC000020967922 520289294 /nfs/dbraw/zinc/28/92/94/520289294.db2.gz NJRRUFSWTWCBIE-HNNXBMFYSA-N 1 1 434.216 4.574 20 0 IJADMO CCCOc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCCN1CC ZINC000020967922 520289300 /nfs/dbraw/zinc/28/93/00/520289300.db2.gz NJRRUFSWTWCBIE-HNNXBMFYSA-N 1 1 434.216 4.574 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc4[nH]cc(Cl)c42)CC3)cs1 ZINC001164693530 719803616 /nfs/dbraw/zinc/80/36/16/719803616.db2.gz UMEJRJWXMOTULR-UHFFFAOYSA-N 1 1 437.400 4.665 20 0 IJADMO FC(F)(c1cc(Cl)nc(Cl)c1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696102 719886522 /nfs/dbraw/zinc/88/65/22/719886522.db2.gz XFRJRNQRFATNDB-UHFFFAOYSA-N 1 1 448.366 4.866 20 0 IJADMO Clc1cccc(-c2cc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)ncn2)c1 ZINC001164707697 719899484 /nfs/dbraw/zinc/89/94/84/719899484.db2.gz VBQFJXSWASDOKN-UHFFFAOYSA-N 1 1 441.000 4.730 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccc(C)s3)nc3ccccc31)C2 ZINC001164819187 720178296 /nfs/dbraw/zinc/17/82/96/720178296.db2.gz WKIZQKFIEGAYPQ-RXFWQSSRSA-N 1 1 448.636 4.851 20 0 IJADMO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732133 720466767 /nfs/dbraw/zinc/46/67/67/720466767.db2.gz NAYYCLVYRUALAP-SFTDATJTSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732133 720466774 /nfs/dbraw/zinc/46/67/74/720466774.db2.gz NAYYCLVYRUALAP-SFTDATJTSA-N 1 1 441.913 4.590 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cc4ccc(F)cc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164832336 720523701 /nfs/dbraw/zinc/52/37/01/720523701.db2.gz AAEVESFFTRPOCJ-SLYNCCJLSA-N 1 1 427.955 4.602 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(F)cc4ccc(Cl)nc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836390 720547190 /nfs/dbraw/zinc/54/71/90/720547190.db2.gz JWCWSABWOQTFRF-YZGWKJHDSA-N 1 1 427.955 4.602 20 0 IJADMO Cc1csc2c1nc(Cl)cc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841377 720575712 /nfs/dbraw/zinc/57/57/12/720575712.db2.gz UJVURUJKMXZDDO-RCCFBDPRSA-N 1 1 430.021 4.832 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc4c(Cl)ccc(F)c4n3)CC[C@@H]21 ZINC001164840768 720639047 /nfs/dbraw/zinc/63/90/47/720639047.db2.gz QRYUPBRGYORPKI-FIKGOQFSSA-N 1 1 427.955 4.602 20 0 IJADMO Cc1cccc2c(Cl)nnc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c12 ZINC001164841909 720688498 /nfs/dbraw/zinc/68/84/98/720688498.db2.gz KAVIEVVUANYYJM-HXUWFJFHSA-N 1 1 436.987 4.852 20 0 IJADMO Cc1sc2nc(C)nc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2c1C ZINC001164839552 720689010 /nfs/dbraw/zinc/68/90/10/720689010.db2.gz ALLPOWSEMYATKK-OAQYLSRUSA-N 1 1 436.625 4.876 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)ncc1F)CC2 ZINC001164840483 720689541 /nfs/dbraw/zinc/68/95/41/720689541.db2.gz FJPNGRVWXHVOAE-KRWDZBQOSA-N 1 1 439.909 4.679 20 0 IJADMO Cc1ccc(-c2ccc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)cc1 ZINC001164842287 720710488 /nfs/dbraw/zinc/71/04/88/720710488.db2.gz XQNUOVVPVYKGHI-XMMPIXPASA-N 1 1 428.580 4.712 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc3nc(Cl)cnc3cc1F)CC2 ZINC001164836937 720716906 /nfs/dbraw/zinc/71/69/06/720716906.db2.gz BXZGUGNEVIQQGM-GOSISDBHSA-N 1 1 440.950 4.682 20 0 IJADMO Cc1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2cccs2)n1 ZINC001164839796 720718399 /nfs/dbraw/zinc/71/83/99/720718399.db2.gz MWLOPPNFNGQBRF-OAQYLSRUSA-N 1 1 434.609 4.773 20 0 IJADMO Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2ccccc12 ZINC001164755963 720887559 /nfs/dbraw/zinc/88/75/59/720887559.db2.gz NUNCSUUQMAWVOQ-CUBQBAPOSA-N 1 1 442.607 4.693 20 0 IJADMO Clc1ccnc(Cl)c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749826 720887599 /nfs/dbraw/zinc/88/75/99/720887599.db2.gz ASDCXBVLYKOYGX-XXBNENTESA-N 1 1 447.410 4.539 20 0 IJADMO Cc1cc2ccccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754985 720898151 /nfs/dbraw/zinc/89/81/51/720898151.db2.gz KCBDQZBLSJWPMC-LBNVMWSVSA-N 1 1 442.607 4.693 20 0 IJADMO CC(C)N(C)Cc1cnc2n1CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)[C@@H]2C ZINC001164864208 720971986 /nfs/dbraw/zinc/97/19/86/720971986.db2.gz ZOTZINUBQDDVCX-HXUWFJFHSA-N 1 1 428.584 4.703 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(F)ccc1-c1ccc(Cl)nn1)[C@@H]2C ZINC001164862272 721010275 /nfs/dbraw/zinc/01/02/75/721010275.db2.gz PTUYITOZIKVPFC-OAHLLOKOSA-N 1 1 428.943 4.554 20 0 IJADMO COc1cc2c(cc1F)cc(Cl)nc2N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164861270 721023883 /nfs/dbraw/zinc/02/38/83/721023883.db2.gz NZQCWRAXCLGZDK-AWEZNQCLSA-N 1 1 431.943 4.654 20 0 IJADMO Fc1ccc(-c2ncnc3c2CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)CC3)cc1 ZINC001164775986 721315578 /nfs/dbraw/zinc/31/55/78/721315578.db2.gz AZGOZSMRDBRPGK-UHFFFAOYSA-N 1 1 437.950 4.532 20 0 IJADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1cnc(Cl)c(-c3ccccc3F)c1)CC2 ZINC001164876807 721326905 /nfs/dbraw/zinc/32/69/05/721326905.db2.gz QHKQWZBFKQAGDQ-UHFFFAOYSA-N 1 1 438.881 4.720 20 0 IJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C)c4cccc(C)c4n3)C2)C1 ZINC001164776432 721335965 /nfs/dbraw/zinc/33/59/65/721335965.db2.gz FJGVIKIQIUGCSO-SANMLTNESA-N 1 1 434.584 4.575 20 0 IJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc4c(Cl)cccc43)C2)C1 ZINC001164777669 721348985 /nfs/dbraw/zinc/34/89/85/721348985.db2.gz HMPCXXJVEBUIDV-DEOSSOPVSA-N 1 1 440.975 4.612 20 0 IJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nccc4cccc(Cl)c43)C2)C1 ZINC001164779758 721352796 /nfs/dbraw/zinc/35/27/96/721352796.db2.gz VUSPOPNFXXQZCL-XMMPIXPASA-N 1 1 440.975 4.612 20 0 IJADMO Clc1ccc(-c2nc3ccccc3c(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)n2)cc1 ZINC001164783982 721408656 /nfs/dbraw/zinc/40/86/56/721408656.db2.gz JQNLQOVLNUEXLU-QZTJIDSGSA-N 1 1 447.995 4.975 20 0 IJADMO Cc1ccc(-c2nnc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c3ccccc32)cc1 ZINC001164783881 721425126 /nfs/dbraw/zinc/42/51/26/721425126.db2.gz JTDXOAPGPRJWLO-PMACEKPBSA-N 1 1 427.577 4.630 20 0 IJADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164780430 721439751 /nfs/dbraw/zinc/43/97/51/721439751.db2.gz ADBLFLOKMHIHQX-HUUCEWRRSA-N 1 1 438.975 4.574 20 0 IJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CCC[C@H](OCC5CC5)[C@H]4C3)c2c1C ZINC001164901548 721498870 /nfs/dbraw/zinc/49/88/70/721498870.db2.gz WJKVDHFLHYZQMX-ACRUOGEOSA-N 1 1 440.657 4.935 20 0 IJADMO CC(C)n1ccc2c1nc(Cl)nc2N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164796381 721499437 /nfs/dbraw/zinc/49/94/37/721499437.db2.gz SMICJRRDNGAQLV-UHFFFAOYSA-N 1 1 439.007 4.942 20 0 IJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(Cl)ccc(Cl)c3n2)[C@H]2CCCO[C@@H]12 ZINC001164811955 721588993 /nfs/dbraw/zinc/58/89/93/721588993.db2.gz ZDWRFTJMNGAPDL-MIZPHKNDSA-N 1 1 443.378 4.805 20 0 IJADMO Fc1cccc2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12 ZINC001164908524 721698611 /nfs/dbraw/zinc/69/86/11/721698611.db2.gz ZXAXSENWAWPFSX-OAQYLSRUSA-N 1 1 447.892 4.555 20 0 IJADMO Cc1nc2cc(Cl)ccc2c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904849 721704957 /nfs/dbraw/zinc/70/49/57/721704957.db2.gz DMFNQFZXIPGJDA-JOCHJYFZSA-N 1 1 443.929 4.724 20 0 IJADMO Cc1cccc2nc(Cl)nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12 ZINC001164908108 721716933 /nfs/dbraw/zinc/71/69/33/721716933.db2.gz VSJCYZZCBUUFMA-QFIPXVFZSA-N 1 1 443.929 4.724 20 0 IJADMO Cc1c(Cl)nc(CC(C)C)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164913375 721733824 /nfs/dbraw/zinc/73/38/24/721733824.db2.gz UTILWCOCATWPBB-JOCHJYFZSA-N 1 1 449.977 4.770 20 0 IJADMO Cc1c(Cl)nc(C2CCC2)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164909895 721736343 /nfs/dbraw/zinc/73/63/43/721736343.db2.gz FMFWOEIAFKZMSZ-JOCHJYFZSA-N 1 1 447.961 4.839 20 0 IJADMO CSc1nc2ccsc2c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164908274 721753612 /nfs/dbraw/zinc/75/36/12/721753612.db2.gz GJHHDNLYWDXFRD-UHFFFAOYSA-N 1 1 437.594 4.596 20 0 IJADMO CSc1nc2ccsc2c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164908274 721753615 /nfs/dbraw/zinc/75/36/15/721753615.db2.gz GJHHDNLYWDXFRD-UHFFFAOYSA-N 1 1 437.594 4.596 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc3nc(Cl)cnc3cc1F)C2 ZINC001164909542 721763045 /nfs/dbraw/zinc/76/30/45/721763045.db2.gz BWZCNZMLOKZXGO-UHFFFAOYSA-N 1 1 437.906 4.605 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc3nc(Cl)cnc3cc1F)C2 ZINC001164909542 721763051 /nfs/dbraw/zinc/76/30/51/721763051.db2.gz BWZCNZMLOKZXGO-UHFFFAOYSA-N 1 1 437.906 4.605 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4cccc(F)c43)C[C@@H]21 ZINC001165025859 721808150 /nfs/dbraw/zinc/80/81/50/721808150.db2.gz PPFHFLCJACYDMG-RIFZZMRRSA-N 1 1 425.939 4.554 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4cc(F)c(F)cc4nc3Cl)C[C@H]21 ZINC001165026445 721809234 /nfs/dbraw/zinc/80/92/34/721809234.db2.gz QJHMHIXAAIRFQV-IUSZMWJPSA-N 1 1 443.929 4.693 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ncc3-c3ccccc3)C[C@@H]21 ZINC001165024729 721813099 /nfs/dbraw/zinc/81/30/99/721813099.db2.gz KKCSJGDAUQWEJX-AJSBUHFISA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(NC(=O)OC(C)(C)C)cn3)C[C@@H]21 ZINC001165026244 721822265 /nfs/dbraw/zinc/82/22/65/721822265.db2.gz OKCHSIGTLAPJLU-YUXAGFNASA-N 1 1 437.588 4.561 20 0 IJADMO Cc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001165027505 721829230 /nfs/dbraw/zinc/82/92/30/721829230.db2.gz SIRWKPYXTLAOSF-NNWRFLSQSA-N 1 1 449.002 4.632 20 0 IJADMO Cc1cc(-c2cccc(F)c2)nnc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025620 721830284 /nfs/dbraw/zinc/83/02/84/721830284.db2.gz MUNUAQLNTCLVPZ-QUURXOELSA-N 1 1 431.559 4.723 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4nc(Cl)ccc4C)CC3)C2)cc1 ZINC001164940198 721927690 /nfs/dbraw/zinc/92/76/90/721927690.db2.gz RNOZWGPIGBCJEV-UHFFFAOYSA-N 1 1 435.946 4.768 20 0 IJADMO COc1cc2ccnc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c2cc1F ZINC001164939797 721933380 /nfs/dbraw/zinc/93/33/80/721933380.db2.gz BGLPOSWBNDWJPQ-UHFFFAOYSA-N 1 1 435.543 4.562 20 0 IJADMO FC(F)(c1ccnc(Cl)c1Cl)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164954651 722013059 /nfs/dbraw/zinc/01/30/59/722013059.db2.gz NSBIRKCPIUREMW-UHFFFAOYSA-N 1 1 427.326 4.821 20 0 IJADMO FC(F)(c1cc(Cl)ncc1Cl)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955080 722013386 /nfs/dbraw/zinc/01/33/86/722013386.db2.gz SSZISHXQOCOSFX-UHFFFAOYSA-N 1 1 427.326 4.821 20 0 IJADMO Clc1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc(Cc2ccccc2)n1 ZINC001164951725 722016544 /nfs/dbraw/zinc/01/65/44/722016544.db2.gz CSBYWJFDPMIYTO-UHFFFAOYSA-N 1 1 433.987 4.608 20 0 IJADMO c1ccc(SCc2nccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n2)cc1 ZINC001164960589 722024528 /nfs/dbraw/zinc/02/45/28/722024528.db2.gz LBOZNBIHKDTZOY-UHFFFAOYSA-N 1 1 431.609 4.656 20 0 IJADMO Cc1csc2c1nc(Cl)cc2N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164962344 722058498 /nfs/dbraw/zinc/05/84/98/722058498.db2.gz RDXQIVVFWXEOFA-UHFFFAOYSA-N 1 1 443.016 4.772 20 0 IJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC[C@H](C(=O)NCC4CC4)C3)CC2)nc1 ZINC001164983610 722091889 /nfs/dbraw/zinc/09/18/89/722091889.db2.gz UDBUNXOQPSWISY-UPVQGACJSA-N 1 1 438.660 4.932 20 0 IJADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2cnc(Cl)nc2Cl)C3)c1 ZINC001164994172 722192326 /nfs/dbraw/zinc/19/23/26/722192326.db2.gz LDLPCZOPCQKEBN-GOSISDBHSA-N 1 1 431.289 4.712 20 0 IJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2cnc(Cl)nc2Cl)C3)c1 ZINC001164994172 722192328 /nfs/dbraw/zinc/19/23/28/722192328.db2.gz LDLPCZOPCQKEBN-GOSISDBHSA-N 1 1 431.289 4.712 20 0 IJADMO c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4COC[C@H]4C3)c2c1-c1ccccc1 ZINC001164387552 718818811 /nfs/dbraw/zinc/81/88/11/718818811.db2.gz IAYYKODPLLNUBB-VQTJNVASSA-N 1 1 434.609 4.817 20 0 IJADMO c1cc2c(nc(-c3ccccn3)nc2N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC001164629829 719107697 /nfs/dbraw/zinc/10/76/97/719107697.db2.gz TXAOMJANFWLTTB-UGKGYDQZSA-N 1 1 427.577 4.854 20 0 IJADMO Cc1nc2sc3c(c2c(N2CCc4c(C[NH+](C)C)nn(C(C)C)c4C2)n1)CCCCC3 ZINC001164653586 719315480 /nfs/dbraw/zinc/31/54/80/719315480.db2.gz WVYJQZRZGOPEIC-UHFFFAOYSA-N 1 1 438.645 4.670 20 0 IJADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164653538 719317283 /nfs/dbraw/zinc/31/72/83/719317283.db2.gz NUIJBTYFYODBKH-UHFFFAOYSA-N 1 1 433.934 4.877 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](OCC4CCCC4)CC[C@H]32)nc1 ZINC001164662563 719344325 /nfs/dbraw/zinc/34/43/25/719344325.db2.gz PFTZVXDVJJYTDP-GWZVJQKXSA-N 1 1 427.633 4.962 20 0 IJADMO CC(C)c1nc2scc(-c3ccccc3Cl)c2c(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC001164666073 719446138 /nfs/dbraw/zinc/44/61/38/719446138.db2.gz BBCFFXNGPUOAIB-QZTJIDSGSA-N 1 1 428.989 4.654 20 0 IJADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc(Cl)nc4sccc42)CC3)cc1 ZINC001164671387 719502928 /nfs/dbraw/zinc/50/29/28/719502928.db2.gz FESWGNSDKYONII-UHFFFAOYSA-N 1 1 431.964 4.960 20 0 IJADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc(Cl)nc4sccc42)CC3)cc1 ZINC001164671387 719502931 /nfs/dbraw/zinc/50/29/31/719502931.db2.gz FESWGNSDKYONII-UHFFFAOYSA-N 1 1 431.964 4.960 20 0 IJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cnc(Cl)nc2Cl)CC3)cs1 ZINC001164694346 719803905 /nfs/dbraw/zinc/80/39/05/719803905.db2.gz XMQHWHFTEBIUPS-UHFFFAOYSA-N 1 1 448.370 4.728 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cnc(Cl)nc2Cl)CC3)cs1 ZINC001164694346 719803906 /nfs/dbraw/zinc/80/39/06/719803906.db2.gz XMQHWHFTEBIUPS-UHFFFAOYSA-N 1 1 448.370 4.728 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(-c4ccccn4)nc(C)c2C)CC3)cs1 ZINC001164691549 719815196 /nfs/dbraw/zinc/81/51/96/719815196.db2.gz GWRFTDSRECVWCE-UHFFFAOYSA-N 1 1 434.613 4.555 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4[nH]c5cc(F)ccc5c42)CC3)cs1 ZINC001164702022 719817269 /nfs/dbraw/zinc/81/72/69/719817269.db2.gz QLVSJISLFXZOCO-UHFFFAOYSA-N 1 1 436.560 4.650 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3scc(-c4cccs4)c31)C2 ZINC001164810405 720091795 /nfs/dbraw/zinc/09/17/95/720091795.db2.gz LRIQWEPWUJOSCH-GAJHUEQPSA-N 1 1 440.638 4.605 20 0 IJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)c3cccc(C)c3n1)CC2 ZINC001164712679 720098506 /nfs/dbraw/zinc/09/85/06/720098506.db2.gz XUGJOCAIPNQWMD-HSZRJFAPSA-N 1 1 430.596 4.754 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3ccc(Cl)nc3c1)C2 ZINC001164809933 720104356 /nfs/dbraw/zinc/10/43/56/720104356.db2.gz IUBIQJZENIXVBX-DENIHFKCSA-N 1 1 435.946 4.618 20 0 IJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3ccc(Cl)cc3n1)CC2 ZINC001164716975 720126479 /nfs/dbraw/zinc/12/64/79/720126479.db2.gz MPMUCJLTRSTFLR-QFIPXVFZSA-N 1 1 436.987 4.791 20 0 IJADMO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164732911 720440506 /nfs/dbraw/zinc/44/05/06/720440506.db2.gz OUMVLVVRGJKLDL-RTBURBONSA-N 1 1 433.606 4.976 20 0 IJADMO Clc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726266 720477520 /nfs/dbraw/zinc/47/75/20/720477520.db2.gz KYQAVNZZYXTPQY-QZTJIDSGSA-N 1 1 442.350 4.824 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nccc4cc(F)c(Cl)cc43)CC[C@@H]21 ZINC001164837746 720634706 /nfs/dbraw/zinc/63/47/06/720634706.db2.gz JAXSWZZVCUHGAD-SPEDKVCISA-N 1 1 427.955 4.602 20 0 IJADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164843545 720635543 /nfs/dbraw/zinc/63/55/43/720635543.db2.gz XWZLWTRIJFJAHI-IJXRJRJASA-N 1 1 431.028 4.526 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(Cl)nc4c(F)cccc34)CC[C@@H]21 ZINC001164837126 720642726 /nfs/dbraw/zinc/64/27/26/720642726.db2.gz HENIMBVGRDKIHO-ZWOKBUDYSA-N 1 1 427.955 4.602 20 0 IJADMO Cc1ccc2nc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c(Cl)nc2c1 ZINC001164839520 720687399 /nfs/dbraw/zinc/68/73/99/720687399.db2.gz AFEOMDSZRUQYSL-FQEVSTJZSA-N 1 1 436.987 4.852 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc(-c3ccc(F)cc3)n1)CC2 ZINC001164843691 720687798 /nfs/dbraw/zinc/68/77/98/720687798.db2.gz QGQVFRFARHLTKJ-QHCPKHFHSA-N 1 1 432.543 4.543 20 0 IJADMO COc1cc2ccc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nc2cc1OC ZINC001164842645 720697927 /nfs/dbraw/zinc/69/79/27/720697927.db2.gz LZQSDZFSXLOKSQ-QFIPXVFZSA-N 1 1 447.579 4.512 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc(Oc3cccc(F)c3)n1)CC2 ZINC001164841687 720707056 /nfs/dbraw/zinc/70/70/56/720707056.db2.gz VSYHRALUQDDOFP-QFIPXVFZSA-N 1 1 448.542 4.668 20 0 IJADMO Cc1cc2ccccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754991 720898103 /nfs/dbraw/zinc/89/81/03/720898103.db2.gz KCBDQZBLSJWPMC-NAKRPHOHSA-N 1 1 442.607 4.693 20 0 IJADMO Fc1ccc2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164749185 720914887 /nfs/dbraw/zinc/91/48/87/720914887.db2.gz IFYCPUCDQAHCGI-WNCULLNHSA-N 1 1 446.570 4.524 20 0 IJADMO CSc1ccc(Oc2cc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)ncn2)cc1 ZINC001164857241 720991187 /nfs/dbraw/zinc/99/11/87/720991187.db2.gz FDOJNIMDMCSCBZ-QGZVFWFLSA-N 1 1 438.601 4.609 20 0 IJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)nc1 ZINC001164873713 721319305 /nfs/dbraw/zinc/31/93/05/721319305.db2.gz ALCDRYUDIGKQHK-ZEQRLZLVSA-N 1 1 432.612 4.519 20 0 IJADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(F)c3)c1)CC2 ZINC001164876306 721326655 /nfs/dbraw/zinc/32/66/55/721326655.db2.gz NWGDGFVFAQNCFH-UHFFFAOYSA-N 1 1 438.881 4.720 20 0 IJADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(F)cc3)c1)CC2 ZINC001164877103 721326960 /nfs/dbraw/zinc/32/69/60/721326960.db2.gz SJVYKWWHAPADEY-UHFFFAOYSA-N 1 1 438.881 4.720 20 0 IJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc4ccc(Cl)cc43)C2)C1 ZINC001164779038 721344666 /nfs/dbraw/zinc/34/46/66/721344666.db2.gz PFTXHXQYJRPIMX-DEOSSOPVSA-N 1 1 440.975 4.612 20 0 IJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nccc4ccc(Cl)cc43)C2)C1 ZINC001164779039 721345331 /nfs/dbraw/zinc/34/53/31/721345331.db2.gz PFTXHXQYJRPIMX-XMMPIXPASA-N 1 1 440.975 4.612 20 0 IJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc4ccc(Cl)cc4n3)C2)C1 ZINC001164780690 721357309 /nfs/dbraw/zinc/35/73/09/721357309.db2.gz GMXWGTKEGKDBAZ-XMMPIXPASA-N 1 1 440.975 4.612 20 0 IJADMO Cc1ccc(-c2nc3ccccc3c(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)n2)cc1 ZINC001164781124 721417226 /nfs/dbraw/zinc/41/72/26/721417226.db2.gz BTTCHEZGGRFTLT-PMACEKPBSA-N 1 1 427.577 4.630 20 0 IJADMO Cc1sc2ncnc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c2c1-c1ccccc1 ZINC001164785431 721426796 /nfs/dbraw/zinc/42/67/96/721426796.db2.gz MYTVVPXYQXLLMY-HDICACEKSA-N 1 1 433.606 4.691 20 0 IJADMO Cc1sc2ncnc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c2c1-c1ccccc1 ZINC001164785431 721426797 /nfs/dbraw/zinc/42/67/97/721426797.db2.gz MYTVVPXYQXLLMY-HDICACEKSA-N 1 1 433.606 4.691 20 0 IJADMO CCc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164790177 721436965 /nfs/dbraw/zinc/43/69/65/721436965.db2.gz XDZSBDJRBNWUAY-CALCHBBNSA-N 1 1 441.988 4.509 20 0 IJADMO CCc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164790177 721436969 /nfs/dbraw/zinc/43/69/69/721436969.db2.gz XDZSBDJRBNWUAY-CALCHBBNSA-N 1 1 441.988 4.509 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)nc(Cc3ccccc3)n1)CC2 ZINC001164792001 721493835 /nfs/dbraw/zinc/49/38/35/721493835.db2.gz JAGKKRNLARCDBM-UHFFFAOYSA-N 1 1 448.014 4.997 20 0 IJADMO COc1cc2ccc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nc2cc1OC ZINC001164791556 721497190 /nfs/dbraw/zinc/49/71/90/721497190.db2.gz DOLKBQNBTOMSSW-UHFFFAOYSA-N 1 1 432.568 4.528 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(F)cc3ncnc(Cl)c31)CC2 ZINC001164796397 721498468 /nfs/dbraw/zinc/49/84/68/721498468.db2.gz UMDSWNLEOUXMBC-UHFFFAOYSA-N 1 1 425.939 4.698 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncccc1OCc1ccccc1)CC2 ZINC001164795353 721499788 /nfs/dbraw/zinc/49/97/88/721499788.db2.gz FWWGCBROOOXGAK-UHFFFAOYSA-N 1 1 428.580 4.937 20 0 IJADMO CCOc1ccc(-c2ccc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nn2)cc1 ZINC001164795938 721501439 /nfs/dbraw/zinc/50/14/39/721501439.db2.gz NPRGEWDJKBFSOA-UHFFFAOYSA-N 1 1 443.595 4.818 20 0 IJADMO Cc1cc(-c2ccccc2F)nnc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795294 721502930 /nfs/dbraw/zinc/50/29/30/721502930.db2.gz KDZZZYRERYCLJQ-UHFFFAOYSA-N 1 1 431.559 4.867 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(C(F)F)nc3ccc(F)cc31)CC2 ZINC001164796185 721503280 /nfs/dbraw/zinc/50/32/80/721503280.db2.gz POQQBERELQKNIA-UHFFFAOYSA-N 1 1 441.501 4.983 20 0 IJADMO Cc1cc(Cl)ncc1C(F)(F)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907710 721704831 /nfs/dbraw/zinc/70/48/31/721704831.db2.gz SQCMGQXOHSWGQZ-IBGZPJMESA-N 1 1 442.888 4.721 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1ccnc(Cl)c1F)C2 ZINC001164910023 721745552 /nfs/dbraw/zinc/74/55/52/721745552.db2.gz YKIKNZLOCSYARN-UHFFFAOYSA-N 1 1 436.865 4.602 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1ccnc(Cl)c1F)C2 ZINC001164910023 721745558 /nfs/dbraw/zinc/74/55/58/721745558.db2.gz YKIKNZLOCSYARN-UHFFFAOYSA-N 1 1 436.865 4.602 20 0 IJADMO Cc1sc2nc(C)nc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c2c1C ZINC001164909563 721753319 /nfs/dbraw/zinc/75/33/19/721753319.db2.gz HYWXXXMDETUYDH-UHFFFAOYSA-N 1 1 433.581 4.799 20 0 IJADMO Cc1sc2nc(C)nc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c2c1C ZINC001164909563 721753323 /nfs/dbraw/zinc/75/33/23/721753323.db2.gz HYWXXXMDETUYDH-UHFFFAOYSA-N 1 1 433.581 4.799 20 0 IJADMO CSc1ccc2ncnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c2c1 ZINC001164912529 721764928 /nfs/dbraw/zinc/76/49/28/721764928.db2.gz YTFBVLRAZGJHGA-UHFFFAOYSA-N 1 1 431.565 4.534 20 0 IJADMO CSc1ccc2ncnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c2c1 ZINC001164912529 721764930 /nfs/dbraw/zinc/76/49/30/721764930.db2.gz YTFBVLRAZGJHGA-UHFFFAOYSA-N 1 1 431.565 4.534 20 0 IJADMO Cc1cc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)s1 ZINC001165028704 721807551 /nfs/dbraw/zinc/80/75/51/721807551.db2.gz ZNUTZNDDZMQPQB-ZYSHUDEJSA-N 1 1 428.005 4.785 20 0 IJADMO Cc1cc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001165028693 721807625 /nfs/dbraw/zinc/80/76/25/721807625.db2.gz ZNUTZNDDZMQPQB-KFKAGJAMSA-N 1 1 428.005 4.785 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4nc(C(C)(C)C)no4)ccn3)C[C@H]21 ZINC001165024093 721821302 /nfs/dbraw/zinc/82/13/02/721821302.db2.gz JSUZCEXXUVILGL-CEMLEFRQSA-N 1 1 446.599 4.561 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc(Oc4ccc(F)cc4)n3)C[C@H]21 ZINC001165027557 721826290 /nfs/dbraw/zinc/82/62/90/721826290.db2.gz SPQKRJDLRWHWMJ-SXSPYAJSSA-N 1 1 433.531 4.540 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nnc(Cl)c4ccc(F)cc43)C[C@H]21 ZINC001165027439 721828107 /nfs/dbraw/zinc/82/81/07/721828107.db2.gz SDLFMAFFUJNJNB-IWMITWMQSA-N 1 1 425.939 4.554 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nnc(Cl)c5ccsc54)CC3)C2)cc1 ZINC001164940490 721923857 /nfs/dbraw/zinc/92/38/57/721923857.db2.gz RQSYQRRTZRQTHT-UHFFFAOYSA-N 1 1 428.989 4.525 20 0 IJADMO CSc1nc2ccsc2c(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164940412 721924949 /nfs/dbraw/zinc/92/49/49/721924949.db2.gz PXTSBPGTEGLGIU-UHFFFAOYSA-N 1 1 440.638 4.593 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(F)cc5ncnc(Cl)c54)CC3)C2)cc1 ZINC001164940730 721929942 /nfs/dbraw/zinc/92/99/42/721929942.db2.gz ZFMMJFBFHHVDGF-UHFFFAOYSA-N 1 1 440.950 4.602 20 0 IJADMO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164945841 721933740 /nfs/dbraw/zinc/93/37/40/721933740.db2.gz XNBHEKUEJIINPU-FQEVSTJZSA-N 1 1 433.600 4.651 20 0 IJADMO FC(F)(c1cnc(Cl)nc1Cl)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001165045355 721939505 /nfs/dbraw/zinc/93/95/05/721939505.db2.gz ZLDKLIOXCQYZPG-UHFFFAOYSA-N 1 1 444.700 4.857 20 0 IJADMO Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]21 ZINC001164951055 722004349 /nfs/dbraw/zinc/00/43/49/722004349.db2.gz GKNXUFUMCDJAQX-VQTJNVASSA-N 1 1 433.987 4.507 20 0 IJADMO FC(F)(c1nc(Cl)c2ccccc2n1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164954148 722013400 /nfs/dbraw/zinc/01/34/00/722013400.db2.gz IZKVGNCICVLKIB-UHFFFAOYSA-N 1 1 443.929 4.716 20 0 IJADMO Clc1cccc2nc(Cl)c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc12 ZINC001164964236 722023991 /nfs/dbraw/zinc/02/39/91/722023991.db2.gz VWHVXHKVBYZQHN-UHFFFAOYSA-N 1 1 428.367 4.824 20 0 IJADMO FC(F)(N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1)C1(c2ccnc(Cl)c2)CC1 ZINC001164963449 722025037 /nfs/dbraw/zinc/02/50/37/722025037.db2.gz UDNHDNBUMFSXQX-UHFFFAOYSA-N 1 1 432.946 4.743 20 0 IJADMO Fc1cccc2cc(Cl)nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c12 ZINC001164966880 722062514 /nfs/dbraw/zinc/06/25/14/722062514.db2.gz YDGWVSNHABSWOS-UHFFFAOYSA-N 1 1 440.950 4.541 20 0 IJADMO Cc1nc(CN2CCO[C@H]3CCN(c4cc(C)c5ccc(C)c(C)c5[nH+]4)CC[C@H]32)cs1 ZINC001164990649 722185389 /nfs/dbraw/zinc/18/53/89/722185389.db2.gz RIZLAXIOQLGRDJ-PKTZIBPZSA-N 1 1 436.625 4.795 20 0 IJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ncnc4c2ccn4Cc2ccccc2)C3)c1 ZINC001164995632 722202264 /nfs/dbraw/zinc/20/22/64/722202264.db2.gz OSQFJHSRIDOCME-HHHXNRCGSA-N 1 1 441.554 4.864 20 0 IJADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2cc(C4CC4)nnc2Cl)C3)c1 ZINC001164995496 722208537 /nfs/dbraw/zinc/20/85/37/722208537.db2.gz NUBNQVNYTYAJBK-OAQYLSRUSA-N 1 1 436.909 4.936 20 0 IJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2cc(C4CC4)nnc2Cl)C3)c1 ZINC001164995496 722208540 /nfs/dbraw/zinc/20/85/40/722208540.db2.gz NUBNQVNYTYAJBK-OAQYLSRUSA-N 1 1 436.909 4.936 20 0 IJADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)c2nc4ccc(Cl)nc4[nH]2)C3)c1 ZINC001164995886 722208992 /nfs/dbraw/zinc/20/89/92/722208992.db2.gz PRUMOEGQWDQBRG-FQEVSTJZSA-N 1 1 435.881 4.540 20 0 IJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)c2nc4ccc(Cl)nc4[nH]2)C3)c1 ZINC001164995886 722208998 /nfs/dbraw/zinc/20/89/98/722208998.db2.gz PRUMOEGQWDQBRG-FQEVSTJZSA-N 1 1 435.881 4.540 20 0 IJADMO Cc1cc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164999119 722212048 /nfs/dbraw/zinc/21/20/48/722212048.db2.gz ZNWBZLGVGWKORU-XMMPIXPASA-N 1 1 437.950 4.884 20 0 IJADMO c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@]4(CCOC4)C3)c2c1-c1ccccc1 ZINC001164391525 718807977 /nfs/dbraw/zinc/80/79/77/718807977.db2.gz VBSBMYPHYDIYLH-RUZDIDTESA-N 1 1 434.609 4.961 20 0 IJADMO C(c1nc2sc3c(c2c(N2CC[C@H]4CCCO[C@@H]4C2)n1)CCCC3)[NH+]1CCCCC1 ZINC001164422221 718902553 /nfs/dbraw/zinc/90/25/53/718902553.db2.gz XMKMYTDZZSKSHX-IEBWSBKVSA-N 1 1 426.630 4.561 20 0 IJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[C@H](c4ccnc(C(C)C)n4)O[C@@H]3C2)nc1 ZINC001164634912 719263015 /nfs/dbraw/zinc/26/30/15/719263015.db2.gz GVEQQBPMJGAFIL-OTUUDDROSA-N 1 1 435.616 4.898 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3nn(CC4CC4)cc3[C@@H](COCC)C2)nc1 ZINC001164665484 719364287 /nfs/dbraw/zinc/36/42/87/719364287.db2.gz XLTWJIGNHCHJQJ-RCZVLFRGSA-N 1 1 437.632 4.765 20 0 IJADMO Cc1ccc2c(c1)nc(Cl)nc2N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673213 719508159 /nfs/dbraw/zinc/50/81/59/719508159.db2.gz PUJIIDCTTMXTAK-UHFFFAOYSA-N 1 1 440.950 4.602 20 0 IJADMO Cc1ccc2c(c1)nc(Cl)nc2N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673213 719508160 /nfs/dbraw/zinc/50/81/60/719508160.db2.gz PUJIIDCTTMXTAK-UHFFFAOYSA-N 1 1 440.950 4.602 20 0 IJADMO CSc1nc2ccccc2c(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164691967 719809616 /nfs/dbraw/zinc/80/96/16/719809616.db2.gz CPIDKEPXBYDBQK-UHFFFAOYSA-N 1 1 425.627 4.752 20 0 IJADMO COc1cc2nc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)ccc2c(OC)c1 ZINC001164697886 719815981 /nfs/dbraw/zinc/81/59/81/719815981.db2.gz BMHDAYUZYUPJIJ-UHFFFAOYSA-N 1 1 438.597 4.652 20 0 IJADMO Fc1ccc2nc(Cl)cc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c1 ZINC001164695753 719889996 /nfs/dbraw/zinc/88/99/96/719889996.db2.gz VBBJXGGKIDPEFC-UHFFFAOYSA-N 1 1 431.964 4.960 20 0 IJADMO Clc1cccc(-c2cccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)n2)n1 ZINC001164696726 719892981 /nfs/dbraw/zinc/89/29/81/719892981.db2.gz ICOOGGZHMSBLCC-UHFFFAOYSA-N 1 1 441.000 4.730 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccc(C)cc3)nc3ccccc31)C2 ZINC001164811040 720137862 /nfs/dbraw/zinc/13/78/62/720137862.db2.gz KPITYBNEKUKEQS-QDPGVEIFSA-N 1 1 442.607 4.790 20 0 IJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3ccc(C(C)C)cc31)CC2 ZINC001164713101 720143729 /nfs/dbraw/zinc/14/37/29/720143729.db2.gz QXHRXWHOXXLAGQ-HSZRJFAPSA-N 1 1 445.611 4.656 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccc(C)s3)nc3ccccc31)C2 ZINC001164819186 720177099 /nfs/dbraw/zinc/17/70/99/720177099.db2.gz WKIZQKFIEGAYPQ-IBVKSMDESA-N 1 1 448.636 4.851 20 0 IJADMO Cc1ccc(-c2csc3ncnc(N4CC[C@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)c23)cc1 ZINC001164723146 720371651 /nfs/dbraw/zinc/37/16/51/720371651.db2.gz GHBICODWDZFFPY-VXKWHMMOSA-N 1 1 427.577 4.915 20 0 IJADMO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727648 720404659 /nfs/dbraw/zinc/40/46/59/720404659.db2.gz RDEGAJNUKYTWLV-MOPGFXCFSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164727648 720404670 /nfs/dbraw/zinc/40/46/70/720404670.db2.gz RDEGAJNUKYTWLV-MOPGFXCFSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727652 720405190 /nfs/dbraw/zinc/40/51/90/720405190.db2.gz RDEGAJNUKYTWLV-OALUTQOASA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164727652 720405197 /nfs/dbraw/zinc/40/51/97/720405197.db2.gz RDEGAJNUKYTWLV-OALUTQOASA-N 1 1 441.913 4.590 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4cccc(Cl)c43)CC[C@@H]21 ZINC001164835851 720543422 /nfs/dbraw/zinc/54/34/22/720543422.db2.gz IOHDDAIDZWYBBN-BXWFABGCSA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4cccc(Cl)c43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835854 720543831 /nfs/dbraw/zinc/54/38/31/720543831.db2.gz IOHDDAIDZWYBBN-TXPKVOOTSA-N 1 1 445.398 4.511 20 0 IJADMO Cc1csc2c1nc(Cl)cc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841374 720576311 /nfs/dbraw/zinc/57/63/11/720576311.db2.gz UJVURUJKMXZDDO-FGTMMUONSA-N 1 1 430.021 4.832 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(Cl)nc4c(F)ccc(F)c34)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842740 720647244 /nfs/dbraw/zinc/64/72/44/720647244.db2.gz UALBRWFLLOQCMX-TXPKVOOTSA-N 1 1 445.945 4.741 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3cccc(F)c31)CC2 ZINC001164839901 720680224 /nfs/dbraw/zinc/68/02/24/720680224.db2.gz CSMTWGOLHIHGNS-GOSISDBHSA-N 1 1 440.950 4.682 20 0 IJADMO Cc1ccc(C(F)(F)N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1Cl ZINC001164842050 720693493 /nfs/dbraw/zinc/69/34/93/720693493.db2.gz LHXUXCWHUOHBAI-LJQANCHMSA-N 1 1 435.946 4.848 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1c(F)ccc3c(Cl)ncnc31)CC2 ZINC001164836715 720729010 /nfs/dbraw/zinc/72/90/10/720729010.db2.gz FHXZMEZWBIXHMU-SFHVURJKSA-N 1 1 440.950 4.682 20 0 IJADMO Cc1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2c1 ZINC001164749148 720869785 /nfs/dbraw/zinc/86/97/85/720869785.db2.gz HIDKYZIOVMAEMG-NAKRPHOHSA-N 1 1 442.607 4.693 20 0 IJADMO CSc1cnc(Cl)c(C(F)(F)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c1 ZINC001164860495 720995415 /nfs/dbraw/zinc/99/54/15/720995415.db2.gz OLKWFKWRYAAZQL-ZDUSSCGKSA-N 1 1 429.968 4.620 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(-c3ccc(Cl)nn3)ccc1F)[C@H]2C ZINC001164857274 721010319 /nfs/dbraw/zinc/01/03/19/721010319.db2.gz CCXGGLPDIKGGNN-HNNXBMFYSA-N 1 1 428.943 4.554 20 0 IJADMO c1cncc(-c2nc3sc4c(c3c(N3CC5(C3)CC[N@H+](CC3CC3)C5)n2)CCCC4)c1 ZINC001164770266 721297744 /nfs/dbraw/zinc/29/77/44/721297744.db2.gz QOXWXSOMMTUWIM-UHFFFAOYSA-N 1 1 431.609 4.554 20 0 IJADMO COc1cccc(-c2cc(C(F)(F)N3CC4(C3)CC[N@@H+](CC3CC3)C4)cnc2Cl)c1 ZINC001164774347 721303865 /nfs/dbraw/zinc/30/38/65/721303865.db2.gz AFVKVRWSTAMPAJ-UHFFFAOYSA-N 1 1 433.930 4.878 20 0 IJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3ncnc(-c4ccc(F)cc4)c3CC2)nc1 ZINC001164776575 721315892 /nfs/dbraw/zinc/31/58/92/721315892.db2.gz FKCPEMQCQJMZIJ-DEOSSOPVSA-N 1 1 431.559 4.830 20 0 IJADMO Cc1ccc(-c2nc3ccccc3c(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)n2)cc1 ZINC001164781125 721417100 /nfs/dbraw/zinc/41/71/00/721417100.db2.gz BTTCHEZGGRFTLT-WOJBJXKFSA-N 1 1 427.577 4.630 20 0 IJADMO Cc1ccc(-c2nc3ccccc3c(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)n2)s1 ZINC001164790295 721430229 /nfs/dbraw/zinc/43/02/29/721430229.db2.gz XMMMRNJFFPYPJU-CALCHBBNSA-N 1 1 433.606 4.691 20 0 IJADMO Cc1ccc(-c2nc3ccccc3c(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)n2)s1 ZINC001164790295 721430231 /nfs/dbraw/zinc/43/02/31/721430231.db2.gz XMMMRNJFFPYPJU-CALCHBBNSA-N 1 1 433.606 4.691 20 0 IJADMO COCc1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc(-c2ccccc2)n1 ZINC001164793175 721490726 /nfs/dbraw/zinc/49/07/26/721490726.db2.gz OVWLSYJLRBGENB-UHFFFAOYSA-N 1 1 443.595 4.566 20 0 IJADMO CSc1nc2sccc2c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792740 721490989 /nfs/dbraw/zinc/49/09/89/721490989.db2.gz LENWNVWEOBGKLH-UHFFFAOYSA-N 1 1 425.627 4.689 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3[nH]c4cc(F)ccc4c31)CC2 ZINC001164795583 721504821 /nfs/dbraw/zinc/50/48/21/721504821.db2.gz LVYLNZITAJVBSL-UHFFFAOYSA-N 1 1 430.531 4.526 20 0 IJADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(C(F)F)nc5ccc(Cl)cc54)CC[N@H+]3C2)c1 ZINC001164906423 721563734 /nfs/dbraw/zinc/56/37/34/721563734.db2.gz IYQAPAKZISMKMN-WBVHZDCISA-N 1 1 448.876 4.702 20 0 IJADMO Cc1cncc(COC[C@@]23CCC[C@@H]2CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C3)c1 ZINC001164802938 721601081 /nfs/dbraw/zinc/60/10/81/721601081.db2.gz UFNJBMNUIQFORA-RDGATRHJSA-N 1 1 441.019 4.858 20 0 IJADMO Fc1ccc2c(Cl)ncnc2c1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164913838 721738154 /nfs/dbraw/zinc/73/81/54/721738154.db2.gz YUWKQUCMOOSQTI-OAQYLSRUSA-N 1 1 447.892 4.555 20 0 IJADMO CSc1nc2sccc2c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164907760 721746691 /nfs/dbraw/zinc/74/66/91/721746691.db2.gz AHQHIKKAFPZQHX-UHFFFAOYSA-N 1 1 437.594 4.596 20 0 IJADMO CSc1nc2sccc2c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164907760 721746694 /nfs/dbraw/zinc/74/66/94/721746694.db2.gz AHQHIKKAFPZQHX-UHFFFAOYSA-N 1 1 437.594 4.596 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3ccc(Cl)cc3)nn1)C2 ZINC001164908895 721747282 /nfs/dbraw/zinc/74/72/82/721747282.db2.gz NSYHUCKLWAQHSI-UHFFFAOYSA-N 1 1 445.954 4.980 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3ccc(Cl)cc3)nn1)C2 ZINC001164908895 721747295 /nfs/dbraw/zinc/74/72/95/721747295.db2.gz NSYHUCKLWAQHSI-UHFFFAOYSA-N 1 1 445.954 4.980 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nnc(Cl)c3ccsc31)C2 ZINC001164909991 721749740 /nfs/dbraw/zinc/74/97/40/721749740.db2.gz WWDJFEJWCGRUOX-UHFFFAOYSA-N 1 1 425.945 4.527 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nnc(Cl)c3ccsc31)C2 ZINC001164909991 721749745 /nfs/dbraw/zinc/74/97/45/721749745.db2.gz WWDJFEJWCGRUOX-UHFFFAOYSA-N 1 1 425.945 4.527 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(Cl)ncc1F)C2 ZINC001164911801 721754695 /nfs/dbraw/zinc/75/46/95/721754695.db2.gz ZOVIWHSVDISGBA-UHFFFAOYSA-N 1 1 436.865 4.602 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(Cl)ncc1F)C2 ZINC001164911801 721754697 /nfs/dbraw/zinc/75/46/97/721754697.db2.gz ZOVIWHSVDISGBA-UHFFFAOYSA-N 1 1 436.865 4.602 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cncc(Oc3cccc(F)c3)n1)C2 ZINC001164909575 721757939 /nfs/dbraw/zinc/75/79/39/721757939.db2.gz IHARPVAATIEHER-UHFFFAOYSA-N 1 1 445.498 4.591 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cncc(Oc3cccc(F)c3)n1)C2 ZINC001164909575 721757942 /nfs/dbraw/zinc/75/79/42/721757942.db2.gz IHARPVAATIEHER-UHFFFAOYSA-N 1 1 445.498 4.591 20 0 IJADMO Cc1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc(-c2ccsc2)n1 ZINC001164909702 721762492 /nfs/dbraw/zinc/76/24/92/721762492.db2.gz FLOWVGUNOAFHIH-UHFFFAOYSA-N 1 1 431.565 4.696 20 0 IJADMO Cc1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc(-c2ccsc2)n1 ZINC001164909702 721762498 /nfs/dbraw/zinc/76/24/98/721762498.db2.gz FLOWVGUNOAFHIH-UHFFFAOYSA-N 1 1 431.565 4.696 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4cccc(F)c43)C[C@@H]21 ZINC001165025858 721807943 /nfs/dbraw/zinc/80/79/43/721807943.db2.gz PPFHFLCJACYDMG-OXFYSEKESA-N 1 1 425.939 4.554 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3OCc3ccccc3)C[C@H]21 ZINC001165019717 721823249 /nfs/dbraw/zinc/82/32/49/721823249.db2.gz BIFGLZNSHJTKKL-ICDZXHCJSA-N 1 1 428.580 4.793 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4nc(Cl)cnc4cc3F)C[C@@H]21 ZINC001165025265 721826452 /nfs/dbraw/zinc/82/64/52/721826452.db2.gz MNKLWAWXSLQWID-HZUJVAHNSA-N 1 1 425.939 4.554 20 0 IJADMO CCc1ccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)cc1 ZINC001165028261 721826637 /nfs/dbraw/zinc/82/66/37/721826637.db2.gz UZZGQJQVUBOIDH-FBILRYNDSA-N 1 1 427.596 4.838 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(SCc4ccccc4)ncn3)C[C@H]21 ZINC001165027862 721827654 /nfs/dbraw/zinc/82/76/54/721827654.db2.gz UHYXTBCCMLGFJS-QPTUXGOLSA-N 1 1 445.636 4.901 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(C(F)F)nc4ccc(F)cc43)C[C@H]21 ZINC001165025090 721829186 /nfs/dbraw/zinc/82/91/86/721829186.db2.gz LOMPPFWHQVFJLC-QFIXIFRTSA-N 1 1 441.501 4.838 20 0 IJADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cnc(Cl)cc2C)CC1 ZINC001165023076 721841181 /nfs/dbraw/zinc/84/11/81/721841181.db2.gz WXPPHDKFBOVPLA-UHFFFAOYSA-N 1 1 439.934 4.706 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4ccc(C)c(Cl)n4)CC3)C2)cc1 ZINC001164941047 721926618 /nfs/dbraw/zinc/92/66/18/721926618.db2.gz ZQTUSFADOPRSBF-UHFFFAOYSA-N 1 1 435.946 4.768 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C)nc(-c5ccsc5)n4)CC3)C2)cc1 ZINC001164939488 721932064 /nfs/dbraw/zinc/93/20/64/721932064.db2.gz LRYDLXPTWCLLLG-UHFFFAOYSA-N 1 1 434.609 4.693 20 0 IJADMO Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]21 ZINC001164951053 722004229 /nfs/dbraw/zinc/00/42/29/722004229.db2.gz GKNXUFUMCDJAQX-PMACEKPBSA-N 1 1 433.987 4.507 20 0 IJADMO Clc1ccc2c(c1)nc(Cl)nc2N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164952908 722017602 /nfs/dbraw/zinc/01/76/02/722017602.db2.gz OTGYMYQLEBQVNB-UHFFFAOYSA-N 1 1 428.367 4.824 20 0 IJADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994908 722192198 /nfs/dbraw/zinc/19/21/98/722192198.db2.gz QRAQJLNDRLCCRX-HSZRJFAPSA-N 1 1 431.939 4.604 20 0 IJADMO COCc1cc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(-c2ccccc2)n1 ZINC001164994200 722193175 /nfs/dbraw/zinc/19/31/75/722193175.db2.gz LRYQPWLUDLGXHQ-AREMUKBSSA-N 1 1 432.543 4.674 20 0 IJADMO c1csc(-c2csc3nc(C[NH+]4CCCCC4)nc(N4CC[C@@H]5COC[C@@H]5C4)c23)c1 ZINC001164387148 718819291 /nfs/dbraw/zinc/81/92/91/718819291.db2.gz DIOBKLQYQBJAIJ-SJORKVTESA-N 1 1 440.638 4.878 20 0 IJADMO Fc1cccc(Oc2nc(Cl)nc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)n2)c1 ZINC001164632325 719087385 /nfs/dbraw/zinc/08/73/85/719087385.db2.gz ZHDRFSJAMSARMH-XLIONFOSSA-N 1 1 439.922 4.557 20 0 IJADMO c1cc2c(nc(-c3ccccn3)nc2N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC001164629826 719107398 /nfs/dbraw/zinc/10/73/98/719107398.db2.gz TXAOMJANFWLTTB-SIKLNZKXSA-N 1 1 427.577 4.854 20 0 IJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(-c3cccc4ccccc43)nn1)CC2 ZINC001164651080 719316345 /nfs/dbraw/zinc/31/63/45/719316345.db2.gz HJJPCJMSGYBBOO-UHFFFAOYSA-N 1 1 426.568 4.699 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(-c4sc(C)nc4C)nn2)CC3)cs1 ZINC001164692643 719815753 /nfs/dbraw/zinc/81/57/53/719815753.db2.gz QHUZDYMBVQEINV-UHFFFAOYSA-N 1 1 440.642 4.617 20 0 IJADMO Cc1cccc2c1nc(Cl)nc2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696089 719890445 /nfs/dbraw/zinc/89/04/45/719890445.db2.gz WRUACDSXVLRQBF-UHFFFAOYSA-N 1 1 428.989 4.525 20 0 IJADMO Cc1cc(-c2cccc(F)c2)nnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164705405 719907785 /nfs/dbraw/zinc/90/77/85/719907785.db2.gz BIJRZAXBZYEDGB-UHFFFAOYSA-N 1 1 438.572 4.524 20 0 IJADMO Cc1cc(-c2ccccc2F)nnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164707475 719907912 /nfs/dbraw/zinc/90/79/12/719907912.db2.gz QWXIBGIIHWOLQB-UHFFFAOYSA-N 1 1 438.572 4.524 20 0 IJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3ccc(Cl)cc3n1)CC2 ZINC001164716974 720127307 /nfs/dbraw/zinc/12/73/07/720127307.db2.gz MPMUCJLTRSTFLR-JOCHJYFZSA-N 1 1 436.987 4.791 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccsc3)nc3ccccc31)C2 ZINC001164819403 720171721 /nfs/dbraw/zinc/17/17/21/720171721.db2.gz WUHUFQLPSFKPEP-NBGIEHNGSA-N 1 1 434.609 4.543 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3c(ccnc3Cl)c1)C2 ZINC001164812454 720183646 /nfs/dbraw/zinc/18/36/46/720183646.db2.gz AUMHPAYAUFSQAT-KNQAVFIVSA-N 1 1 435.946 4.618 20 0 IJADMO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164726560 720399876 /nfs/dbraw/zinc/39/98/76/720399876.db2.gz POPGBFZQGJYNAQ-DQEYMECFSA-N 1 1 439.538 4.993 20 0 IJADMO Fc1ccc(-c2nc3ccccc3c(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)cc1 ZINC001164734450 720438777 /nfs/dbraw/zinc/43/87/77/720438777.db2.gz SEADDNYLYZEDAG-ZEQRLZLVSA-N 1 1 425.511 4.684 20 0 IJADMO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732119 720463405 /nfs/dbraw/zinc/46/34/05/720463405.db2.gz NAYYCLVYRUALAP-LEWJYISDSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732119 720463413 /nfs/dbraw/zinc/46/34/13/720463413.db2.gz NAYYCLVYRUALAP-LEWJYISDSA-N 1 1 441.913 4.590 20 0 IJADMO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164731578 720478641 /nfs/dbraw/zinc/47/86/41/720478641.db2.gz WNQPHKLRFZJFTC-RTWAWAEBSA-N 1 1 435.959 4.733 20 0 IJADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724496 720489689 /nfs/dbraw/zinc/48/96/89/720489689.db2.gz GOESREDYFFHQRV-NHCUHLMSSA-N 1 1 432.946 4.797 20 0 IJADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724496 720489694 /nfs/dbraw/zinc/48/96/94/720489694.db2.gz GOESREDYFFHQRV-NHCUHLMSSA-N 1 1 432.946 4.797 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)cc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834023 720514381 /nfs/dbraw/zinc/51/43/81/720514381.db2.gz FDZYSUKRWOVTJW-RVKKMQEKSA-N 1 1 444.357 4.508 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3c(Cl)cc(Cl)nc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164832383 720523104 /nfs/dbraw/zinc/52/31/04/720523104.db2.gz AKKGCTGSJYMCMF-OFQRWUPVSA-N 1 1 428.795 4.616 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4cc(Cl)ccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836362 720541584 /nfs/dbraw/zinc/54/15/84/720541584.db2.gz JRHKXAYIYASIHP-RIFZZMRRSA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4cc(Cl)ccc43)CC[C@@H]21 ZINC001164836363 720542247 /nfs/dbraw/zinc/54/22/47/720542247.db2.gz JRHKXAYIYASIHP-SYNHAJSKSA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4cc(Cl)c(Cl)cc43)CC[C@@H]21 ZINC001164838450 720575059 /nfs/dbraw/zinc/57/50/59/720575059.db2.gz NWPOSHWPDGQHRU-QYWGDWMGSA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4c(Cl)cccc4nc3Cl)CC[C@@H]21 ZINC001164839207 720635934 /nfs/dbraw/zinc/63/59/34/720635934.db2.gz MDHAHXCFOSCJLK-GJYPPUQNSA-N 1 1 445.398 4.511 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(Oc3ccccc3)ncn1)CC2 ZINC001164837023 720671529 /nfs/dbraw/zinc/67/15/29/720671529.db2.gz ATNAMXNMOLBZCW-QFIPXVFZSA-N 1 1 430.552 4.529 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc(Oc3ccccc3)n1)CC2 ZINC001164838115 720676723 /nfs/dbraw/zinc/67/67/23/720676723.db2.gz FDHOMTNBWRTWMW-JOCHJYFZSA-N 1 1 430.552 4.529 20 0 IJADMO CCc1ccc(-c2ccc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)cc1 ZINC001164840977 720718731 /nfs/dbraw/zinc/71/87/31/720718731.db2.gz UAXUPFJKHKJODR-VWLOTQADSA-N 1 1 442.607 4.966 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nnc(Cl)c3ccc(F)cc31)CC2 ZINC001164841793 720720872 /nfs/dbraw/zinc/72/08/72/720720872.db2.gz XANDLCNMZFKRTR-LJQANCHMSA-N 1 1 440.950 4.682 20 0 IJADMO CCc1nc(Cl)nc(Cl)c1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164838835 720725878 /nfs/dbraw/zinc/72/58/78/720725878.db2.gz JHKFEYZAPSNNGW-QGZVFWFLSA-N 1 1 435.399 4.606 20 0 IJADMO Clc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)c1 ZINC001164752480 720871132 /nfs/dbraw/zinc/87/11/32/720871132.db2.gz NBPGCHAPAAYAQD-XXBNENTESA-N 1 1 447.410 4.539 20 0 IJADMO Clc1ccc(Cl)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164750868 720883319 /nfs/dbraw/zinc/88/33/19/720883319.db2.gz CCNBIIZTZFGZML-AUSIDOKSSA-N 1 1 447.410 4.539 20 0 IJADMO Fc1cccc2c1ccnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754527 720893869 /nfs/dbraw/zinc/89/38/69/720893869.db2.gz JESLFACVPJHTGS-CUNXSJBXSA-N 1 1 446.570 4.524 20 0 IJADMO Fc1ccc2cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2c1 ZINC001164755041 720919270 /nfs/dbraw/zinc/91/92/70/720919270.db2.gz XWKOJXDTXKYWPD-RPLLCQBOSA-N 1 1 446.570 4.524 20 0 IJADMO CC(C)(C)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164753236 720938889 /nfs/dbraw/zinc/93/88/89/720938889.db2.gz REDWDXQKCTYAOD-IGKIAQTJSA-N 1 1 434.628 4.529 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(F)ccc1Oc1ccc(Cl)nn1)[C@@H]2C ZINC001164857193 721000771 /nfs/dbraw/zinc/00/07/71/721000771.db2.gz CVWFYINUTVPKNO-OAHLLOKOSA-N 1 1 444.942 4.679 20 0 IJADMO Cc1ccc(Oc2nc(Cl)ncc2N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)cc1 ZINC001164859611 721018436 /nfs/dbraw/zinc/01/84/36/721018436.db2.gz JZIOSAICTHGDBV-KRWDZBQOSA-N 1 1 440.979 4.849 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cnc(Cl)nc1Oc1cccc(F)c1)[C@H]2C ZINC001164863752 721019202 /nfs/dbraw/zinc/01/92/02/721019202.db2.gz UXOKDKWRKJEVHX-HNNXBMFYSA-N 1 1 444.942 4.679 20 0 IJADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1ccc3nc(Cl)cc(Cl)c3c1)CC2 ZINC001164878105 721326039 /nfs/dbraw/zinc/32/60/39/721326039.db2.gz MUVFHBIHIQPZLD-UHFFFAOYSA-N 1 1 429.298 4.721 20 0 IJADMO Fc1ccc(-c2csc3ncnc(N4C[C@@H]5C[N@@H+](Cc6nccs6)C[C@@H]5C4)c23)cc1 ZINC001164786582 721424312 /nfs/dbraw/zinc/42/43/12/721424312.db2.gz OYUJLHPSTZINMY-IYBDPMFKSA-N 1 1 437.569 4.522 20 0 IJADMO Fc1ccc(-c2csc3ncnc(N4C[C@@H]5C[N@H+](Cc6nccs6)C[C@@H]5C4)c23)cc1 ZINC001164786582 721424313 /nfs/dbraw/zinc/42/43/13/721424313.db2.gz OYUJLHPSTZINMY-IYBDPMFKSA-N 1 1 437.569 4.522 20 0 IJADMO Cc1ccc(-c2nnc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c3ccccc32)cc1C ZINC001164781235 721425718 /nfs/dbraw/zinc/42/57/18/721425718.db2.gz CNMYBLWKJSGQDE-OYRHEFFESA-N 1 1 441.604 4.938 20 0 IJADMO Cc1ccc(-c2nnc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c3ccccc32)cc1C ZINC001164781235 721425720 /nfs/dbraw/zinc/42/57/20/721425720.db2.gz CNMYBLWKJSGQDE-OYRHEFFESA-N 1 1 441.604 4.938 20 0 IJADMO Clc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164780778 721437033 /nfs/dbraw/zinc/43/70/33/721437033.db2.gz ABIAWJXRQFJHFU-OKILXGFUSA-N 1 1 448.379 4.600 20 0 IJADMO Clc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164780778 721437035 /nfs/dbraw/zinc/43/70/35/721437035.db2.gz ABIAWJXRQFJHFU-OKILXGFUSA-N 1 1 448.379 4.600 20 0 IJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3c(Cl)cccc31)CC2 ZINC001164786739 721458888 /nfs/dbraw/zinc/45/88/88/721458888.db2.gz PHBWWEHEITYKPZ-HXUWFJFHSA-N 1 1 444.019 4.622 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1nc(Cl)ncc1Cl)CC2 ZINC001164793933 721492816 /nfs/dbraw/zinc/49/28/16/721492816.db2.gz YGVRGUZZUIQFNI-UHFFFAOYSA-N 1 1 442.341 4.604 20 0 IJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CCC[C@@H](OCC5CC5)[C@H]4C3)c2c1C ZINC001164901550 721498710 /nfs/dbraw/zinc/49/87/10/721498710.db2.gz WJKVDHFLHYZQMX-PCCBWWKXSA-N 1 1 440.657 4.935 20 0 IJADMO Cc1cnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc1-c1ccccc1F ZINC001164794687 721503745 /nfs/dbraw/zinc/50/37/45/721503745.db2.gz CYYHNOKCBUCSCF-UHFFFAOYSA-N 1 1 431.559 4.867 20 0 IJADMO FC1(F)CCN(c2nc(Cl)nc3c2CCCCC3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906595 721701448 /nfs/dbraw/zinc/70/14/48/721701448.db2.gz NOXIFCPRLWPYBL-JOCHJYFZSA-N 1 1 447.961 4.532 20 0 IJADMO Cc1cccc2c(Cl)nnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12 ZINC001164903564 721703204 /nfs/dbraw/zinc/70/32/04/721703204.db2.gz ADSJYJMWXVSJPH-JOCHJYFZSA-N 1 1 443.929 4.724 20 0 IJADMO Cc1ccc2c(c1)nc(Cl)nc2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905590 721705134 /nfs/dbraw/zinc/70/51/34/721705134.db2.gz HVCTZYRBFFFSNZ-QFIPXVFZSA-N 1 1 443.929 4.724 20 0 IJADMO Cc1cccc(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)c1 ZINC001164913095 721724392 /nfs/dbraw/zinc/72/43/92/721724392.db2.gz SMYBSUPZXLTNHU-DEOSSOPVSA-N 1 1 435.522 4.585 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3ccc(F)cc31)C2 ZINC001164909373 721746847 /nfs/dbraw/zinc/74/68/47/721746847.db2.gz PWZGOUZNRBKUBV-UHFFFAOYSA-N 1 1 437.906 4.605 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3ccc(F)cc31)C2 ZINC001164909373 721746852 /nfs/dbraw/zinc/74/68/52/721746852.db2.gz PWZGOUZNRBKUBV-UHFFFAOYSA-N 1 1 437.906 4.605 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cccc(-c3cccc(Cl)n3)n1)C2 ZINC001164909524 721754589 /nfs/dbraw/zinc/75/45/89/721754589.db2.gz GURTWPOMPHPWKR-UHFFFAOYSA-N 1 1 445.954 4.980 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cccc(-c3cccc(Cl)n3)n1)C2 ZINC001164909524 721754593 /nfs/dbraw/zinc/75/45/93/721754593.db2.gz GURTWPOMPHPWKR-UHFFFAOYSA-N 1 1 445.954 4.980 20 0 IJADMO Cc1cc(-c2ccccc2F)nnc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164911639 721765083 /nfs/dbraw/zinc/76/50/83/721765083.db2.gz QHQKEAGEYDMKNL-UHFFFAOYSA-N 1 1 443.526 4.774 20 0 IJADMO Cc1cc(-c2ccccc2F)nnc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164911639 721765087 /nfs/dbraw/zinc/76/50/87/721765087.db2.gz QHQKEAGEYDMKNL-UHFFFAOYSA-N 1 1 443.526 4.774 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3ccn4C3CCCC3)C[C@H]21 ZINC001165022694 721814620 /nfs/dbraw/zinc/81/46/20/721814620.db2.gz GRXCKZBFPYKJAQ-WUMKDDEVSA-N 1 1 430.600 4.678 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc(Cc4ccccc4)n3)C[C@@H]21 ZINC001165028928 721819888 /nfs/dbraw/zinc/81/98/88/721819888.db2.gz YCWJJFFDPGKWEX-FGCOXFRFSA-N 1 1 448.014 4.853 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc(Cc4ccccc4)n3)C[C@H]21 ZINC001165028925 721819900 /nfs/dbraw/zinc/81/99/00/721819900.db2.gz YCWJJFFDPGKWEX-AGILITTLSA-N 1 1 448.014 4.853 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4[nH]c5ccc(Cl)cc5c43)C[C@@H]21 ZINC001165018740 721821805 /nfs/dbraw/zinc/82/18/05/721821805.db2.gz AAPLBWVOARNIAU-XUEUYAKLSA-N 1 1 446.986 4.896 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3OCc3ccc(F)cc3)C[C@H]21 ZINC001165025075 721826864 /nfs/dbraw/zinc/82/68/64/721826864.db2.gz LNZZFFRJMAEYBF-FTBPSBKWSA-N 1 1 446.570 4.932 20 0 IJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N(Cc3cccnc3)Cc3ccccn3)c2c1C ZINC001165036778 721881586 /nfs/dbraw/zinc/88/15/86/721881586.db2.gz NMSSQVJNMQIMGD-UHFFFAOYSA-N 1 1 444.608 4.901 20 0 IJADMO CSc1nc2sccc2c(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164938365 721921542 /nfs/dbraw/zinc/92/15/42/721921542.db2.gz MFICEQMGSHIBIW-UHFFFAOYSA-N 1 1 440.638 4.593 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4ccc(F)c(Cl)n4)CC3)C2)cc1 ZINC001164940496 721921654 /nfs/dbraw/zinc/92/16/54/721921654.db2.gz RUPKRPUDGUKQDI-UHFFFAOYSA-N 1 1 439.909 4.599 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nnc(-c5ccccc5F)cc4C)CC3)C2)cc1 ZINC001164942005 721933020 /nfs/dbraw/zinc/93/30/20/721933020.db2.gz KSWQMIJHNIHQGN-UHFFFAOYSA-N 1 1 446.570 4.771 20 0 IJADMO Cc1ccc2nc(Cl)cc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2c1 ZINC001164964799 722054700 /nfs/dbraw/zinc/05/47/00/722054700.db2.gz XTUFRTCJJZXZGR-UHFFFAOYSA-N 1 1 436.987 4.711 20 0 IJADMO Fc1ccc(Cl)c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc12 ZINC001164964251 722061989 /nfs/dbraw/zinc/06/19/89/722061989.db2.gz FOUQGSLQWSFQND-UHFFFAOYSA-N 1 1 440.950 4.541 20 0 IJADMO Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983199 722109556 /nfs/dbraw/zinc/10/95/56/722109556.db2.gz YLHGSSUHCGBGBP-JTSKRJEESA-N 1 1 443.378 4.664 20 0 IJADMO Fc1cccc(Oc2nc(Cl)nc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)n2)c1 ZINC001164632330 719086650 /nfs/dbraw/zinc/08/66/50/719086650.db2.gz ZHDRFSJAMSARMH-YLJYHZDGSA-N 1 1 439.922 4.557 20 0 IJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[C@@H](c4ccnc(C(C)C)n4)O[C@H]3C2)nc1 ZINC001164634910 719263031 /nfs/dbraw/zinc/26/30/31/719263031.db2.gz GVEQQBPMJGAFIL-JFTIXFDTSA-N 1 1 435.616 4.898 20 0 IJADMO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3c([nH+]1)CCCC3)CC2 ZINC001164664523 719349273 /nfs/dbraw/zinc/34/92/73/719349273.db2.gz WWXSWZSEWRBARQ-UHFFFAOYSA-N 1 1 427.596 4.655 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc4c(n2)-c2ccccc2CC4)CC3)cs1 ZINC001164691184 719811797 /nfs/dbraw/zinc/81/17/97/719811797.db2.gz AKGRKEJSZBNFRF-UHFFFAOYSA-N 1 1 431.609 4.642 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C)nc4sc5c(c42)CCC5)CC3)cs1 ZINC001164692635 719813180 /nfs/dbraw/zinc/81/31/80/719813180.db2.gz QBNJYANZLNFJHJ-UHFFFAOYSA-N 1 1 439.654 4.888 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C)nc(-c4cccs4)n2)CC3)cs1 ZINC001164691555 719814812 /nfs/dbraw/zinc/81/48/12/719814812.db2.gz HAFLMZGIIUZBDF-UHFFFAOYSA-N 1 1 425.627 4.913 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc(C)c(-c4ccccc4F)n2)CC3)cs1 ZINC001164703122 719816526 /nfs/dbraw/zinc/81/65/26/719816526.db2.gz UJUNLCWFKNVYFR-UHFFFAOYSA-N 1 1 437.588 4.991 20 0 IJADMO Clc1cc(-c2ccnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2)ccn1 ZINC001164695280 719888988 /nfs/dbraw/zinc/88/89/88/719888988.db2.gz LCGBLKZZHLKBRQ-UHFFFAOYSA-N 1 1 441.000 4.730 20 0 IJADMO Clc1cccc2nc(Cl)c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc12 ZINC001164707307 719903828 /nfs/dbraw/zinc/90/38/28/719903828.db2.gz OYXPOHYZKNKVHR-UHFFFAOYSA-N 1 1 449.407 4.870 20 0 IJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3cc(Cl)ccc3n1)CC2 ZINC001164710019 720099530 /nfs/dbraw/zinc/09/95/30/720099530.db2.gz FPFIAEOBIQMIEC-JOCHJYFZSA-N 1 1 436.987 4.791 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccc(C)cc3)nc3ccccc31)C2 ZINC001164811037 720137844 /nfs/dbraw/zinc/13/78/44/720137844.db2.gz KPITYBNEKUKEQS-FIPFOOKPSA-N 1 1 442.607 4.790 20 0 IJADMO Fc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@H]4CC[N@H+]5Cc4cccnc4)c23)cc1 ZINC001164728555 720431613 /nfs/dbraw/zinc/43/16/13/720431613.db2.gz FRWYCIZYDBAULR-NHCUHLMSSA-N 1 1 431.540 4.746 20 0 IJADMO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164733848 720444713 /nfs/dbraw/zinc/44/47/13/720444713.db2.gz QHDQCVNCNIPLAJ-LEWJYISDSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164733848 720444714 /nfs/dbraw/zinc/44/47/14/720444714.db2.gz QHDQCVNCNIPLAJ-LEWJYISDSA-N 1 1 441.913 4.590 20 0 IJADMO Fc1ccc(-c2nc(Cl)cc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n2)cc1Cl ZINC001164724429 720471180 /nfs/dbraw/zinc/47/11/80/720471180.db2.gz GGPXPTPQUCUZHE-RBUKOAKNSA-N 1 1 444.341 4.838 20 0 IJADMO Clc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164725291 720477848 /nfs/dbraw/zinc/47/78/48/720477848.db2.gz JGIBMXWBIJDCCN-RTBURBONSA-N 1 1 442.350 4.824 20 0 IJADMO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732302 720487189 /nfs/dbraw/zinc/48/71/89/720487189.db2.gz ZBGMMRJVPKVQAZ-RBUKOAKNSA-N 1 1 430.886 4.788 20 0 IJADMO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732302 720487198 /nfs/dbraw/zinc/48/71/98/720487198.db2.gz ZBGMMRJVPKVQAZ-RBUKOAKNSA-N 1 1 430.886 4.788 20 0 IJADMO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732298 720487369 /nfs/dbraw/zinc/48/73/69/720487369.db2.gz ZBGMMRJVPKVQAZ-MOPGFXCFSA-N 1 1 430.886 4.788 20 0 IJADMO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732298 720487375 /nfs/dbraw/zinc/48/73/75/720487375.db2.gz ZBGMMRJVPKVQAZ-MOPGFXCFSA-N 1 1 430.886 4.788 20 0 IJADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724500 720487966 /nfs/dbraw/zinc/48/79/66/720487966.db2.gz GOESREDYFFHQRV-SFTDATJTSA-N 1 1 432.946 4.797 20 0 IJADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724500 720487979 /nfs/dbraw/zinc/48/79/79/720487979.db2.gz GOESREDYFFHQRV-SFTDATJTSA-N 1 1 432.946 4.797 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)cc4cc(F)ccc43)CC[C@@H]21 ZINC001164841276 720506487 /nfs/dbraw/zinc/50/64/87/720506487.db2.gz YAJOMZOVLFZKSX-CUWPLCDZSA-N 1 1 427.955 4.602 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)cc4cc(F)ccc43)CC[C@@H]21 ZINC001164841282 720506723 /nfs/dbraw/zinc/50/67/23/720506723.db2.gz YAJOMZOVLFZKSX-LMNJBCLMSA-N 1 1 427.955 4.602 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4cc(C(C)(C)C)sc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840723 720523369 /nfs/dbraw/zinc/52/33/69/720523369.db2.gz XIOCNPSYHWVJOG-WSTZPKSXSA-N 1 1 438.645 4.563 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4ccc(Cl)cc4nc3Cl)CC[C@@H]21 ZINC001164842508 720528668 /nfs/dbraw/zinc/52/86/68/720528668.db2.gz XYRZRAJGKGHHTC-SYNHAJSKSA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4c(Cl)cccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833625 720534393 /nfs/dbraw/zinc/53/43/93/720534393.db2.gz AYEXXOZDZRHPBG-JTDSTZFVSA-N 1 1 445.398 4.511 20 0 IJADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164843546 720636158 /nfs/dbraw/zinc/63/61/58/720636158.db2.gz XWZLWTRIJFJAHI-MTFMMBMASA-N 1 1 431.028 4.526 20 0 IJADMO CSc1nc2sccc2c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164838882 720666070 /nfs/dbraw/zinc/66/60/70/720666070.db2.gz IEYBZXZWCFHAHX-GOSISDBHSA-N 1 1 440.638 4.673 20 0 IJADMO Cc1cc2c(nc(Cl)nc2N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)s1 ZINC001164844891 720678068 /nfs/dbraw/zinc/67/80/68/720678068.db2.gz VVPKPFPHQLDPPI-SFHVURJKSA-N 1 1 443.016 4.913 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(C(C)(C)C)nc3[nH]ccc31)CC2 ZINC001164842883 720706553 /nfs/dbraw/zinc/70/65/53/720706553.db2.gz ZVHBNFCKEZLVLG-FQEVSTJZSA-N 1 1 433.600 4.515 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccnc1Oc1ccccc1)CC2 ZINC001164836908 720721445 /nfs/dbraw/zinc/72/14/45/720721445.db2.gz BSIDVJZUOCSMRH-JOCHJYFZSA-N 1 1 430.552 4.529 20 0 IJADMO CSc1ccc2ncnc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164842810 720726871 /nfs/dbraw/zinc/72/68/71/720726871.db2.gz ZAFZKXUYLUSJRR-FQEVSTJZSA-N 1 1 434.609 4.612 20 0 IJADMO Clc1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164755449 720870432 /nfs/dbraw/zinc/87/04/32/720870432.db2.gz WZEXVGQDPBUHCZ-WMZHIEFXSA-N 1 1 447.410 4.539 20 0 IJADMO Clc1ccc(Cl)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164750872 720883526 /nfs/dbraw/zinc/88/35/26/720883526.db2.gz CCNBIIZTZFGZML-CVDCTZTESA-N 1 1 447.410 4.539 20 0 IJADMO Cc1ccc2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164758115 720889261 /nfs/dbraw/zinc/88/92/61/720889261.db2.gz WXSGUBUYGANYQE-NAKRPHOHSA-N 1 1 442.607 4.693 20 0 IJADMO Cc1cccc2c1ccnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758199 720891315 /nfs/dbraw/zinc/89/13/15/720891315.db2.gz XPBSXGICIVDCKC-CUBQBAPOSA-N 1 1 442.607 4.693 20 0 IJADMO Cc1ccc(Oc2nc(Cl)ncc2N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)cc1 ZINC001164859613 721019400 /nfs/dbraw/zinc/01/94/00/721019400.db2.gz JZIOSAICTHGDBV-QGZVFWFLSA-N 1 1 440.979 4.849 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@@H](COc4cccnc4)CC[C@H]32)nc1 ZINC001164878772 721252032 /nfs/dbraw/zinc/25/20/32/721252032.db2.gz VNNXWEBQAWZADJ-VPBXCIAMSA-N 1 1 436.600 4.619 20 0 IJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4cccc(Cl)c4n3)C2)C1 ZINC001164779122 721345043 /nfs/dbraw/zinc/34/50/43/721345043.db2.gz RHOVGEPWXWAWNK-DEOSSOPVSA-N 1 1 440.975 4.612 20 0 IJADMO Fc1ccc(-c2nnc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c3ccccc32)cc1F ZINC001164785715 721425741 /nfs/dbraw/zinc/42/57/41/721425741.db2.gz ODWBYEUHXHBBSP-IAGOWNOFSA-N 1 1 449.530 4.600 20 0 IJADMO Fc1ccc(-c2nnc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c3ccccc32)cc1F ZINC001164785711 721425891 /nfs/dbraw/zinc/42/58/91/721425891.db2.gz ODWBYEUHXHBBSP-CALCHBBNSA-N 1 1 449.530 4.600 20 0 IJADMO Fc1ccc(-c2nnc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c3ccccc32)cc1F ZINC001164785711 721425893 /nfs/dbraw/zinc/42/58/93/721425893.db2.gz ODWBYEUHXHBBSP-CALCHBBNSA-N 1 1 449.530 4.600 20 0 IJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3cc(Cl)ccc31)CC2 ZINC001164785243 721457406 /nfs/dbraw/zinc/45/74/06/721457406.db2.gz HSNKULFQZKQMBA-JOCHJYFZSA-N 1 1 444.019 4.622 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)nc1 ZINC001164894487 721476131 /nfs/dbraw/zinc/47/61/31/721476131.db2.gz NBOYVMGUENXMME-SQHAQQRYSA-N 1 1 447.627 4.575 20 0 IJADMO CCN(c1ccccc1)c1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)ncn1 ZINC001164795995 721502199 /nfs/dbraw/zinc/50/21/99/721502199.db2.gz OSHIWAVPNHKPNL-UHFFFAOYSA-N 1 1 442.611 4.911 20 0 IJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2-c2ccccc2)[C@H]2CCCO[C@H]12 ZINC001164799120 721552493 /nfs/dbraw/zinc/55/24/93/721552493.db2.gz ASWZVVXCRJXAPG-ZDXQCDESSA-N 1 1 434.971 4.665 20 0 IJADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(C(F)F)nc5ccc(Cl)cc54)CC[N@H+]3C2)c1 ZINC001164906422 721563181 /nfs/dbraw/zinc/56/31/81/721563181.db2.gz IYQAPAKZISMKMN-RDJZCZTQSA-N 1 1 448.876 4.702 20 0 IJADMO Fc1ccc2nc(Cl)nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164904042 721587042 /nfs/dbraw/zinc/58/70/42/721587042.db2.gz CQAWUOARVDIAOW-NRFANRHFSA-N 1 1 447.892 4.555 20 0 IJADMO Cc1cccc2c1nc(Cl)nc2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906240 721696525 /nfs/dbraw/zinc/69/65/25/721696525.db2.gz MORIUTZYDSLFPU-JOCHJYFZSA-N 1 1 443.929 4.724 20 0 IJADMO Fc1cccc2c1nc(Cl)nc2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907501 721700424 /nfs/dbraw/zinc/70/04/24/721700424.db2.gz UWYKTZIMBUUFAS-NRFANRHFSA-N 1 1 447.892 4.555 20 0 IJADMO CC(C)(C)c1cc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904195 721720262 /nfs/dbraw/zinc/72/02/62/721720262.db2.gz AKESPLBBSBZIEE-OAQYLSRUSA-N 1 1 435.950 4.560 20 0 IJADMO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164911258 721738439 /nfs/dbraw/zinc/73/84/39/721738439.db2.gz JRICJVZNGKTRKF-UZUQRXQVSA-N 1 1 440.542 4.604 20 0 IJADMO Cc1ccc2nc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c(Cl)nc2c1 ZINC001164909958 721753537 /nfs/dbraw/zinc/75/35/37/721753537.db2.gz UVJAXYJJVKUPHS-UHFFFAOYSA-N 1 1 433.943 4.774 20 0 IJADMO Cc1ccc2nc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c(Cl)nc2c1 ZINC001164909958 721753544 /nfs/dbraw/zinc/75/35/44/721753544.db2.gz UVJAXYJJVKUPHS-UHFFFAOYSA-N 1 1 433.943 4.774 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3ccccc3Cl)nn1)C2 ZINC001164910160 721758186 /nfs/dbraw/zinc/75/81/86/721758186.db2.gz OXOVKJFRUKMBTM-UHFFFAOYSA-N 1 1 445.954 4.980 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3ccccc3Cl)nn1)C2 ZINC001164910160 721758188 /nfs/dbraw/zinc/75/81/88/721758188.db2.gz OXOVKJFRUKMBTM-UHFFFAOYSA-N 1 1 445.954 4.980 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccc(Cl)cc4)nn3)C[C@H]21 ZINC001165025000 721803512 /nfs/dbraw/zinc/80/35/12/721803512.db2.gz NAGHCNAVMRXERH-BPUDTRNYSA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccc(Cl)cc4)nn3)C[C@@H]21 ZINC001165025001 721803584 /nfs/dbraw/zinc/80/35/84/721803584.db2.gz NAGHCNAVMRXERH-NGYIFUPDSA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc(Cc4ccccc4)n3)C[C@@H]21 ZINC001165029463 721808666 /nfs/dbraw/zinc/80/86/66/721808666.db2.gz ZEGRSASWXSKJDH-ACIOBRDBSA-N 1 1 448.014 4.853 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nnc3-c3ccccc3)C[C@H]21 ZINC001165022623 721812798 /nfs/dbraw/zinc/81/27/98/721812798.db2.gz GFICDSHEWGMXIV-CEMLEFRQSA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nnc3-c3ccccc3)C[C@H]21 ZINC001165022627 721812916 /nfs/dbraw/zinc/81/29/16/721812916.db2.gz GFICDSHEWGMXIV-KSEOMHKRSA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4[nH]c5ccc(Cl)cc5c43)C[C@H]21 ZINC001165018735 721821520 /nfs/dbraw/zinc/82/15/20/721821520.db2.gz AAPLBWVOARNIAU-BSLALVQMSA-N 1 1 446.986 4.896 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4cccc(Cl)c4)nn3)C[C@H]21 ZINC001165019858 721823927 /nfs/dbraw/zinc/82/39/27/721823927.db2.gz CIAYFIGZGCDZLV-BPUDTRNYSA-N 1 1 433.987 4.929 20 0 IJADMO Cc1cc(-c2cccc(F)c2)nnc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025345 721830140 /nfs/dbraw/zinc/83/01/40/721830140.db2.gz MUNUAQLNTCLVPZ-OPHFCASCSA-N 1 1 431.559 4.723 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(C)nc5cc(Cl)ccc54)CC3)C2)cc1 ZINC001164939779 721926549 /nfs/dbraw/zinc/92/65/49/721926549.db2.gz MYZHXPOLQMOWDC-UHFFFAOYSA-N 1 1 436.987 4.771 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(Cl)nnc4-c4ccccc4)CC3)C2)cc1 ZINC001164939357 721926597 /nfs/dbraw/zinc/92/65/97/721926597.db2.gz JVXJYDXGKYRWRQ-UHFFFAOYSA-N 1 1 448.998 4.977 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc(C)c(-c5ccccc5F)n4)CC3)C2)cc1 ZINC001164941451 721932978 /nfs/dbraw/zinc/93/29/78/721932978.db2.gz IBCHOTQOGNEBGZ-UHFFFAOYSA-N 1 1 446.570 4.771 20 0 IJADMO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164945845 721933533 /nfs/dbraw/zinc/93/35/33/721933533.db2.gz XNBHEKUEJIINPU-HXUWFJFHSA-N 1 1 433.600 4.651 20 0 IJADMO FC(F)(c1cc(Cl)nc(Cl)c1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164952703 722013023 /nfs/dbraw/zinc/01/30/23/722013023.db2.gz ACWUJNZBWTXDSI-UHFFFAOYSA-N 1 1 427.326 4.821 20 0 IJADMO Clc1cc(-c2ccccc2)cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164964239 722055856 /nfs/dbraw/zinc/05/58/56/722055856.db2.gz UABNWUZQFDWXPF-UHFFFAOYSA-N 1 1 448.998 4.916 20 0 IJADMO Cc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc2cc(Cl)ccc12 ZINC001164963340 722057614 /nfs/dbraw/zinc/05/76/14/722057614.db2.gz XAEOHJPZKPYIOX-UHFFFAOYSA-N 1 1 436.987 4.711 20 0 IJADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164994952 722201714 /nfs/dbraw/zinc/20/17/14/722201714.db2.gz JWZJJHSPHOZVSN-XMMPIXPASA-N 1 1 444.982 4.601 20 0 IJADMO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164996767 722202847 /nfs/dbraw/zinc/20/28/47/722202847.db2.gz WNRJARCWLFOSHY-XMMPIXPASA-N 1 1 444.982 4.647 20 0 IJADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)C3)c1 ZINC001164993817 722206812 /nfs/dbraw/zinc/20/68/12/722206812.db2.gz BWGWTMNENHRNFS-LJQANCHMSA-N 1 1 445.316 4.798 20 0 IJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)C3)c1 ZINC001164993817 722206814 /nfs/dbraw/zinc/20/68/14/722206814.db2.gz BWGWTMNENHRNFS-LJQANCHMSA-N 1 1 445.316 4.798 20 0 IJADMO COC(=O)C[C@@H](c1ccnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1)C1CC1 ZINC001164994838 722207144 /nfs/dbraw/zinc/20/71/44/722207144.db2.gz IOGQUKJNIMZPHO-ZEQKJWHPSA-N 1 1 437.559 4.522 20 0 IJADMO COc1cc2c(cc1C[NH2+][C@H]1CCCN[C@H]1c1ccccc1)[C@](C)(C(F)(F)F)OCC2 ZINC000022448889 523002962 /nfs/dbraw/zinc/00/29/62/523002962.db2.gz ODEBBNRINYMIRX-ACIOBRDBSA-N 1 1 434.502 4.628 20 0 IJADMO O=C1CC2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC2)c2cc(F)ccc21 ZINC001164425640 718937468 /nfs/dbraw/zinc/93/74/68/718937468.db2.gz XAQZUFFOVGFTCR-UHFFFAOYSA-N 1 1 441.550 4.904 20 0 IJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cc(Cl)nc(Cl)n2)CC3)cs1 ZINC001164690921 719803872 /nfs/dbraw/zinc/80/38/72/719803872.db2.gz COCDGEOAAZYZHL-UHFFFAOYSA-N 1 1 448.370 4.728 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cc(Cl)nc(Cl)n2)CC3)cs1 ZINC001164690921 719803873 /nfs/dbraw/zinc/80/38/73/719803873.db2.gz COCDGEOAAZYZHL-UHFFFAOYSA-N 1 1 448.370 4.728 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C)nc4cc(Cl)ccc42)CC3)cs1 ZINC001164692487 719808938 /nfs/dbraw/zinc/80/89/38/719808938.db2.gz HZIKXNHEVAEUHC-UHFFFAOYSA-N 1 1 428.005 4.992 20 0 IJADMO CCCN(CCC)c1cc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)ncn1 ZINC001164693111 719811347 /nfs/dbraw/zinc/81/13/47/719811347.db2.gz UUHKVTMSZJHQJU-UHFFFAOYSA-N 1 1 428.650 4.503 20 0 IJADMO CCCN(CCC)c1cncc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164691586 719811839 /nfs/dbraw/zinc/81/18/39/719811839.db2.gz IBQVSKGBPUVFND-UHFFFAOYSA-N 1 1 428.650 4.503 20 0 IJADMO COc1cc2cnc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)cc2cc1OC ZINC001164693438 719814636 /nfs/dbraw/zinc/81/46/36/719814636.db2.gz VBQYBGRSSUCDIJ-UHFFFAOYSA-N 1 1 438.597 4.652 20 0 IJADMO COc1cc2cnc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)cc2cc1OC ZINC001164693438 719814637 /nfs/dbraw/zinc/81/46/37/719814637.db2.gz VBQYBGRSSUCDIJ-UHFFFAOYSA-N 1 1 438.597 4.652 20 0 IJADMO CC(C)(C)c1cc2ncnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2s1 ZINC001164694699 719889113 /nfs/dbraw/zinc/88/91/13/719889113.db2.gz CLISIZDCRVBEIC-UHFFFAOYSA-N 1 1 442.654 4.922 20 0 IJADMO Clc1ccc2c(Cl)nnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c1 ZINC001164707504 719900798 /nfs/dbraw/zinc/90/07/98/719900798.db2.gz RVWONUMBJWGZAS-UHFFFAOYSA-N 1 1 449.407 4.870 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3scc(-c4ccccc4)c31)C2 ZINC001164807580 720091037 /nfs/dbraw/zinc/09/10/37/720091037.db2.gz GAMAJVFNVPOHEQ-CPJSRVTESA-N 1 1 434.609 4.543 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1c(Cl)nc(Cl)c(Cl)c1Cl)C2 ZINC001164805863 720093804 /nfs/dbraw/zinc/09/38/04/720093804.db2.gz AEOLGCVWJNRXIW-SGTLLEGYSA-N 1 1 439.214 4.880 20 0 IJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3ccc(Cl)cc31)CC2 ZINC001164714258 720110959 /nfs/dbraw/zinc/11/09/59/720110959.db2.gz BFGHSIYLZKRXKM-QFIPXVFZSA-N 1 1 436.987 4.791 20 0 IJADMO Clc1cc2nc(Cl)c(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2cc1Cl ZINC001164721332 720359041 /nfs/dbraw/zinc/35/90/41/720359041.db2.gz BSWFRBRDBJPCOX-ZWKOTPCHSA-N 1 1 434.758 4.838 20 0 IJADMO Clc1cc2nc(Cl)c(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc2cc1Cl ZINC001164721332 720359044 /nfs/dbraw/zinc/35/90/44/720359044.db2.gz BSWFRBRDBJPCOX-ZWKOTPCHSA-N 1 1 434.758 4.838 20 0 IJADMO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732022 720446406 /nfs/dbraw/zinc/44/64/06/720446406.db2.gz MUBBFCAJJYRRNB-LEWJYISDSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732022 720446407 /nfs/dbraw/zinc/44/64/07/720446407.db2.gz MUBBFCAJJYRRNB-LEWJYISDSA-N 1 1 441.913 4.590 20 0 IJADMO Clc1ccc(-c2nc3c(c(N4CC[C@@H]5[C@H]4CC[N@H+]5Cc4cccnc4)n2)CCC3)s1 ZINC001164733872 720463051 /nfs/dbraw/zinc/46/30/51/720463051.db2.gz QIVKFLGJQBQCIK-RTBURBONSA-N 1 1 438.000 4.595 20 0 IJADMO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732304 720486496 /nfs/dbraw/zinc/48/64/96/720486496.db2.gz ZBGMMRJVPKVQAZ-RTBURBONSA-N 1 1 430.886 4.788 20 0 IJADMO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732304 720486497 /nfs/dbraw/zinc/48/64/97/720486497.db2.gz ZBGMMRJVPKVQAZ-RTBURBONSA-N 1 1 430.886 4.788 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)cc4ccc(F)cc43)CC[C@@H]21 ZINC001164832335 720523916 /nfs/dbraw/zinc/52/39/16/720523916.db2.gz AAEVESFFTRPOCJ-LMNJBCLMSA-N 1 1 427.955 4.602 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc(Cl)c(Cl)n3)CC[C@@H]21 ZINC001164838073 720541595 /nfs/dbraw/zinc/54/15/95/720541595.db2.gz NTNVMYRJPWWLKU-ZOBUZTSGSA-N 1 1 444.357 4.508 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(SCc4ccccc4)ccn3)CC[C@@H]21 ZINC001164841574 720619105 /nfs/dbraw/zinc/61/91/05/720619105.db2.gz TXFZHHRFOHWDJM-CUYJMHBOSA-N 1 1 447.652 4.948 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc4c(Cl)cccc4nc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839209 720635102 /nfs/dbraw/zinc/63/51/02/720635102.db2.gz MDHAHXCFOSCJLK-TXPKVOOTSA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(Cl)nc4c(F)cccc34)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837120 720643819 /nfs/dbraw/zinc/64/38/19/720643819.db2.gz HENIMBVGRDKIHO-ABSDTBQOSA-N 1 1 427.955 4.602 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cncc(Oc3cccc(F)c3)n1)CC2 ZINC001164841738 720703295 /nfs/dbraw/zinc/70/32/95/720703295.db2.gz WJDGXZXNSIGUAX-QFIPXVFZSA-N 1 1 448.542 4.668 20 0 IJADMO Cc1cccc(-c2ccc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)c1 ZINC001164836466 720711887 /nfs/dbraw/zinc/71/18/87/720711887.db2.gz BAIFERUFKKKLKP-XMMPIXPASA-N 1 1 428.580 4.712 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc(Oc3ccc(F)cc3)n1)CC2 ZINC001164842292 720716806 /nfs/dbraw/zinc/71/68/06/720716806.db2.gz XUEVIJYGAMCCAF-JOCHJYFZSA-N 1 1 448.542 4.668 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1c(Cl)nc(Cl)nc1C1CC1)CC2 ZINC001164839768 720728048 /nfs/dbraw/zinc/72/80/48/720728048.db2.gz MVKZTGSHICRQPS-GOSISDBHSA-N 1 1 447.410 4.921 20 0 IJADMO Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2ccccc12 ZINC001164755965 720887852 /nfs/dbraw/zinc/88/78/52/720887852.db2.gz NUNCSUUQMAWVOQ-UFHPHHKVSA-N 1 1 442.607 4.693 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc3ccccc3nc1N1CCCC[C@H]1C)[C@H]2C ZINC001164861841 721001639 /nfs/dbraw/zinc/00/16/39/721001639.db2.gz QYJBFTXRYBKKAU-UXHICEINSA-N 1 1 447.631 4.627 20 0 IJADMO c1csc(C[NH+]2C[C@H]3CN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)C[C@@H]3C2)n1 ZINC001164789636 721408113 /nfs/dbraw/zinc/40/81/13/721408113.db2.gz VPRWSMYHTDCWJE-VXKWHMMOSA-N 1 1 439.588 4.835 20 0 IJADMO Clc1ccc(-c2nc3ccccc3c(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)n2)cc1 ZINC001164783986 721408529 /nfs/dbraw/zinc/40/85/29/721408529.db2.gz JQNLQOVLNUEXLU-ROUUACIJSA-N 1 1 447.995 4.975 20 0 IJADMO COc1ccc2c(c1)nc(N1C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C1)cc2-c1ccccc1 ZINC001164784643 721426440 /nfs/dbraw/zinc/42/64/40/721426440.db2.gz LKJPIQYEGUFNLN-PMACEKPBSA-N 1 1 442.588 4.935 20 0 IJADMO CSc1nc2sccc2c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908377 721586011 /nfs/dbraw/zinc/58/60/11/721586011.db2.gz YTPWSVNKGVLLSO-HXUWFJFHSA-N 1 1 447.580 4.546 20 0 IJADMO Cc1cncc(COC[C@]23CCC[C@H]2CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C3)c1 ZINC001164802939 721601110 /nfs/dbraw/zinc/60/11/10/721601110.db2.gz UFNJBMNUIQFORA-WIOPSUGQSA-N 1 1 441.019 4.858 20 0 IJADMO CC(C)c1ccc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164913122 721725529 /nfs/dbraw/zinc/72/55/29/721725529.db2.gz TYPNCBZWABDYKO-XMMPIXPASA-N 1 1 437.538 4.886 20 0 IJADMO Cc1c(Cl)nc(C(C)C)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164913100 721734556 /nfs/dbraw/zinc/73/45/56/721734556.db2.gz SQZPPRMUOMEFNJ-NRFANRHFSA-N 1 1 435.950 4.695 20 0 IJADMO COc1ccc2nc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c(C)cc2c1 ZINC001164909990 721744527 /nfs/dbraw/zinc/74/45/27/721744527.db2.gz WVCKVVVGDTUZET-UHFFFAOYSA-N 1 1 428.536 4.735 20 0 IJADMO COc1ccc2nc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c(C)cc2c1 ZINC001164909990 721744529 /nfs/dbraw/zinc/74/45/29/721744529.db2.gz WVCKVVVGDTUZET-UHFFFAOYSA-N 1 1 428.536 4.735 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(F)cc3ncnc(Cl)c31)C2 ZINC001164911264 721759296 /nfs/dbraw/zinc/75/92/96/721759296.db2.gz UWTKXHKMHDDCAM-UHFFFAOYSA-N 1 1 437.906 4.605 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(F)cc3ncnc(Cl)c31)C2 ZINC001164911264 721759298 /nfs/dbraw/zinc/75/92/98/721759298.db2.gz UWTKXHKMHDDCAM-UHFFFAOYSA-N 1 1 437.906 4.605 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1c(Cl)nc(Cl)nc1C1CC1)C2 ZINC001164912185 721765580 /nfs/dbraw/zinc/76/55/80/721765580.db2.gz UXORGWDVGUCFBB-UHFFFAOYSA-N 1 1 444.366 4.844 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1c(Cl)nc(Cl)nc1C1CC1)C2 ZINC001164912185 721765581 /nfs/dbraw/zinc/76/55/81/721765581.db2.gz UXORGWDVGUCFBB-UHFFFAOYSA-N 1 1 444.366 4.844 20 0 IJADMO COc1cc2ccnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c2cc1F ZINC001164911338 721765853 /nfs/dbraw/zinc/76/58/53/721765853.db2.gz OGASKPDLUSBPLX-UHFFFAOYSA-N 1 1 432.499 4.565 20 0 IJADMO COc1cc2ccnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c2cc1F ZINC001164911338 721765855 /nfs/dbraw/zinc/76/58/55/721765855.db2.gz OGASKPDLUSBPLX-UHFFFAOYSA-N 1 1 432.499 4.565 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4ccc(F)cc43)C[C@H]21 ZINC001165025837 721803206 /nfs/dbraw/zinc/80/32/06/721803206.db2.gz PMNZFDVQLQMXET-NYSBEXSLSA-N 1 1 425.939 4.554 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccc(Cl)cc4)nn3)C[C@H]21 ZINC001165025003 721803464 /nfs/dbraw/zinc/80/34/64/721803464.db2.gz NAGHCNAVMRXERH-ZFJSRUIDSA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cccc(-c4cccc(Cl)n4)n3)C[C@H]21 ZINC001165026457 721812849 /nfs/dbraw/zinc/81/28/49/721812849.db2.gz QRAPUCURGVXYTB-KKLQWCBXSA-N 1 1 433.987 4.929 20 0 IJADMO Cc1nc2sc3c(c2c(N2C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C2)n1)CCC3 ZINC001165025672 721822967 /nfs/dbraw/zinc/82/29/67/721822967.db2.gz NJRINTJTXTVVJJ-WMQCIHAUSA-N 1 1 433.625 4.620 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3OCc3ccc(F)cc3)C[C@@H]21 ZINC001165025077 721826667 /nfs/dbraw/zinc/82/66/67/721826667.db2.gz LNZZFFRJMAEYBF-GVXSCFBNSA-N 1 1 446.570 4.932 20 0 IJADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2nc(Cl)ccc2F)CC1 ZINC001165021288 721840975 /nfs/dbraw/zinc/84/09/75/721840975.db2.gz KWJDLEFOPNOQEM-UHFFFAOYSA-N 1 1 443.897 4.537 20 0 IJADMO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164953000 722016239 /nfs/dbraw/zinc/01/62/39/722016239.db2.gz QQNCAIMUXKRFID-UHFFFAOYSA-N 1 1 443.929 4.716 20 0 IJADMO c1ccc2nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c(N3CCCCC3)nc2c1 ZINC001164955274 722021074 /nfs/dbraw/zinc/02/10/74/722021074.db2.gz CSMSFULXIVDDGR-UHFFFAOYSA-N 1 1 442.611 4.508 20 0 IJADMO Fc1ccc2c(c1)cc(Cl)nc2N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164961951 722051544 /nfs/dbraw/zinc/05/15/44/722051544.db2.gz ZREHOHBLUYSLSM-UHFFFAOYSA-N 1 1 440.950 4.541 20 0 IJADMO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(C)c5ccc(C)c(C)c5[nH+]4)CC[C@H]32)cs1 ZINC001164990561 722185384 /nfs/dbraw/zinc/18/53/84/722185384.db2.gz RIZLAXIOQLGRDJ-DHIUTWEWSA-N 1 1 436.625 4.795 20 0 IJADMO COc1ccc(C(F)(F)N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1Cl ZINC001164997260 722202591 /nfs/dbraw/zinc/20/25/91/722202591.db2.gz XQYSMPCUDZQTRD-FQEVSTJZSA-N 1 1 425.882 4.673 20 0 IJADMO COc1ccc(C(F)(F)N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1Cl ZINC001164997260 722202595 /nfs/dbraw/zinc/20/25/95/722202595.db2.gz XQYSMPCUDZQTRD-FQEVSTJZSA-N 1 1 425.882 4.673 20 0 IJADMO c1csc(-c2csc3nc(C[NH+]4CCCCC4)nc(N4CC[C@H]5COC[C@@H]5C4)c23)c1 ZINC001164387147 718819201 /nfs/dbraw/zinc/81/92/01/718819201.db2.gz DIOBKLQYQBJAIJ-IRXDYDNUSA-N 1 1 440.638 4.878 20 0 IJADMO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164622527 719092704 /nfs/dbraw/zinc/09/27/04/719092704.db2.gz CBIDAYPVDRIUMW-CVEARBPZSA-N 1 1 427.326 4.515 20 0 IJADMO Clc1ccc(C[NH+]2CCCC2)c(N2C[C@@H]3O[C@H](c4nc(C5CC5)cs4)C[C@H]3C2)n1 ZINC001164645177 719289075 /nfs/dbraw/zinc/28/90/75/719289075.db2.gz DDLVQTMYMOREQN-WDSOQIARSA-N 1 1 431.005 4.631 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3nn(CC4CC4)cc3[C@H](COCC)C2)nc1 ZINC001164665486 719363992 /nfs/dbraw/zinc/36/39/92/719363992.db2.gz XLTWJIGNHCHJQJ-WIOPSUGQSA-N 1 1 437.632 4.765 20 0 IJADMO CC(C)c1nc2scc(-c3ccccc3Cl)c2c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)n1 ZINC001164666072 719445215 /nfs/dbraw/zinc/44/52/15/719445215.db2.gz BBCFFXNGPUOAIB-MSOLQXFVSA-N 1 1 428.989 4.654 20 0 IJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2ccnc(Cl)c2F)CC3)cs1 ZINC001164694360 719803847 /nfs/dbraw/zinc/80/38/47/719803847.db2.gz XSANKGVWHJBNKT-UHFFFAOYSA-N 1 1 430.927 4.819 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2ccnc(Cl)c2F)CC3)cs1 ZINC001164694360 719803848 /nfs/dbraw/zinc/80/38/48/719803848.db2.gz XSANKGVWHJBNKT-UHFFFAOYSA-N 1 1 430.927 4.819 20 0 IJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2nc(Cl)ncc2Cl)CC3)cs1 ZINC001164693807 719806115 /nfs/dbraw/zinc/80/61/15/719806115.db2.gz VCKXPXWMULCSRH-UHFFFAOYSA-N 1 1 448.370 4.728 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2nc(Cl)ncc2Cl)CC3)cs1 ZINC001164693807 719806116 /nfs/dbraw/zinc/80/61/16/719806116.db2.gz VCKXPXWMULCSRH-UHFFFAOYSA-N 1 1 448.370 4.728 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc4ccccc4nc2N2CCCC2)CC3)cs1 ZINC001164693459 719813451 /nfs/dbraw/zinc/81/34/51/719813451.db2.gz VECNZDZVMGJKGT-UHFFFAOYSA-N 1 1 448.640 4.630 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C(F)F)nc4ccccc42)CC3)cs1 ZINC001164691594 719814594 /nfs/dbraw/zinc/81/45/94/719814594.db2.gz IHTBGABLOIRELS-UHFFFAOYSA-N 1 1 429.540 4.967 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc(F)c(-c4ccsc4)n2)CC3)cs1 ZINC001164700946 719816624 /nfs/dbraw/zinc/81/66/24/719816624.db2.gz NJRYIFIXUHZQQX-UHFFFAOYSA-N 1 1 429.590 4.744 20 0 IJADMO Clc1cccc2c1nc(Cl)nc2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164695342 719891431 /nfs/dbraw/zinc/89/14/31/719891431.db2.gz OQDIUDNMFKAJAT-UHFFFAOYSA-N 1 1 449.407 4.870 20 0 IJADMO Cc1ccc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1Cl ZINC001164699110 719893591 /nfs/dbraw/zinc/89/35/91/719893591.db2.gz XFZRPEHREWFRQF-UHFFFAOYSA-N 1 1 427.948 4.521 20 0 IJADMO c1csc(C[N@H+]2CCOC3(CCN(c4cccc(OCc5ccccc5)n4)CC3)C2)c1 ZINC001164698301 719896409 /nfs/dbraw/zinc/89/64/09/719896409.db2.gz RDWLNMFUQVPNTK-UHFFFAOYSA-N 1 1 435.593 4.594 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3scc(-c4ccccc4)c31)C2 ZINC001164807574 720091360 /nfs/dbraw/zinc/09/13/60/720091360.db2.gz GAMAJVFNVPOHEQ-CJFMBICVSA-N 1 1 434.609 4.543 20 0 IJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3cc(Cl)ccc31)CC2 ZINC001164714878 720110318 /nfs/dbraw/zinc/11/03/18/720110318.db2.gz DACLGSSMUBHLPI-JOCHJYFZSA-N 1 1 436.987 4.791 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cccc3c(Cl)nccc31)C2 ZINC001164814994 720147343 /nfs/dbraw/zinc/14/73/43/720147343.db2.gz VCOBWIJZEMYIJA-JTSKRJEESA-N 1 1 435.946 4.618 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cccc3c(Cl)nccc31)C2 ZINC001164814993 720147793 /nfs/dbraw/zinc/14/77/93/720147793.db2.gz VCOBWIJZEMYIJA-HTAPYJJXSA-N 1 1 435.946 4.618 20 0 IJADMO Cc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@H]4CC[N@H+]5Cc4cccnc4)c23)cc1 ZINC001164723143 720370543 /nfs/dbraw/zinc/37/05/43/720370543.db2.gz GHBICODWDZFFPY-FGZHOGPDSA-N 1 1 427.577 4.915 20 0 IJADMO Fc1ccc(-c2nnc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c3ccccc32)cc1 ZINC001164731531 720440241 /nfs/dbraw/zinc/44/02/41/720440241.db2.gz LNOFWKIXMXLGSF-BJKOFHAPSA-N 1 1 425.511 4.684 20 0 IJADMO Fc1ccc(-c2nnc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c3ccccc32)cc1 ZINC001164731532 720440768 /nfs/dbraw/zinc/44/07/68/720440768.db2.gz LNOFWKIXMXLGSF-DNQXCXABSA-N 1 1 425.511 4.684 20 0 IJADMO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164733850 720445832 /nfs/dbraw/zinc/44/58/32/720445832.db2.gz QHDQCVNCNIPLAJ-NHCUHLMSSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164733850 720445835 /nfs/dbraw/zinc/44/58/35/720445835.db2.gz QHDQCVNCNIPLAJ-NHCUHLMSSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730934 720464823 /nfs/dbraw/zinc/46/48/23/720464823.db2.gz JUZKMHSSYVARRE-SFTDATJTSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730934 720464824 /nfs/dbraw/zinc/46/48/24/720464824.db2.gz JUZKMHSSYVARRE-SFTDATJTSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732128 720466030 /nfs/dbraw/zinc/46/60/30/720466030.db2.gz NAYYCLVYRUALAP-RTWAWAEBSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732128 720466037 /nfs/dbraw/zinc/46/60/37/720466037.db2.gz NAYYCLVYRUALAP-RTWAWAEBSA-N 1 1 441.913 4.590 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)ccc3-c3ccccc3)CC[C@@H]21 ZINC001164834672 720540122 /nfs/dbraw/zinc/54/01/22/720540122.db2.gz FRJIHZWWIIEQHI-GIWBLDEGSA-N 1 1 436.003 4.976 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3c(Cl)ncc(Cl)c3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838013 720549537 /nfs/dbraw/zinc/54/95/37/720549537.db2.gz NGYQBBYYSWPGBC-IJEWVQPXSA-N 1 1 428.795 4.616 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nccc4cc(F)c(Cl)cc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837744 720633266 /nfs/dbraw/zinc/63/32/66/720633266.db2.gz JAXSWZZVCUHGAD-KGVIQGDOSA-N 1 1 427.955 4.602 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc4c(Cl)ccc(F)c4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840777 720637911 /nfs/dbraw/zinc/63/79/11/720637911.db2.gz QRYUPBRGYORPKI-XGHQBKJUSA-N 1 1 427.955 4.602 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cc(C4CCCCC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835179 720641052 /nfs/dbraw/zinc/64/10/52/720641052.db2.gz AJCQPVOAYFZGQM-JAXLGGSGSA-N 1 1 443.039 4.752 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3c(Cl)ccc4c(Cl)ncnc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839130 720647102 /nfs/dbraw/zinc/64/71/02/720647102.db2.gz IROWWFKWAAXLRS-TXPKVOOTSA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)cc4cccc(F)c43)CC[C@@H]21 ZINC001164836930 720652474 /nfs/dbraw/zinc/65/24/74/720652474.db2.gz AGMHNKOVZSQODW-BJLQDIEVSA-N 1 1 427.955 4.602 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3cccc(F)c31)CC2 ZINC001164839903 720681980 /nfs/dbraw/zinc/68/19/80/720681980.db2.gz CSMTWGOLHIHGNS-SFHVURJKSA-N 1 1 440.950 4.682 20 0 IJADMO Cc1cccc2c(Cl)nnc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c12 ZINC001164841906 720689639 /nfs/dbraw/zinc/68/96/39/720689639.db2.gz KAVIEVVUANYYJM-FQEVSTJZSA-N 1 1 436.987 4.852 20 0 IJADMO COc1ccc2nc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)cc(C)c2c1 ZINC001164845322 720690218 /nfs/dbraw/zinc/69/02/18/720690218.db2.gz YDZCFXCDULHXOY-QFIPXVFZSA-N 1 1 431.580 4.812 20 0 IJADMO COc1cc2ccc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nc2cc1OC ZINC001164842644 720698323 /nfs/dbraw/zinc/69/83/23/720698323.db2.gz LZQSDZFSXLOKSQ-JOCHJYFZSA-N 1 1 447.579 4.512 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc3c(n1)-c1ccccc1CC3)CC2 ZINC001164840405 720705854 /nfs/dbraw/zinc/70/58/54/720705854.db2.gz QNDNDTTVXNMUDC-DEOSSOPVSA-N 1 1 440.591 4.502 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nnc(Cl)c3ccc(F)cc31)CC2 ZINC001164841792 720720113 /nfs/dbraw/zinc/72/01/13/720720113.db2.gz XANDLCNMZFKRTR-IBGZPJMESA-N 1 1 440.950 4.682 20 0 IJADMO Fc1ccc2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164755394 720891916 /nfs/dbraw/zinc/89/19/16/720891916.db2.gz LUYZDQCYZYXCAW-YIXXDRMTSA-N 1 1 446.570 4.524 20 0 IJADMO Cc1nc(Cl)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C ZINC001164752640 720893490 /nfs/dbraw/zinc/89/34/90/720893490.db2.gz FNUPUFYEYSJQMC-RDGATRHJSA-N 1 1 441.019 4.502 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(C(F)F)nc3ccc(Cl)cc31)[C@@H]2C ZINC001164862372 721015137 /nfs/dbraw/zinc/01/51/37/721015137.db2.gz PZNRFIPBWPWLSA-CYBMUJFWSA-N 1 1 434.922 4.839 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cnc(Cl)nc1Oc1ccccc1F)[C@H]2C ZINC001164864699 721019286 /nfs/dbraw/zinc/01/92/86/721019286.db2.gz YZNFBDBKQYZXLL-HNNXBMFYSA-N 1 1 444.942 4.679 20 0 IJADMO c1ccc(-c2cc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc3ccccc32)cc1 ZINC001164872213 721138879 /nfs/dbraw/zinc/13/88/79/721138879.db2.gz GXEJIDDMZJYSGB-DNQXCXABSA-N 1 1 436.559 4.777 20 0 IJADMO c1csc(C[NH+]2C[C@@H]3CN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)C[C@H]3C2)n1 ZINC001164789634 721407853 /nfs/dbraw/zinc/40/78/53/721407853.db2.gz VPRWSMYHTDCWJE-FGZHOGPDSA-N 1 1 439.588 4.835 20 0 IJADMO Clc1ccc2nc(-c3ccccc3)nc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c2c1 ZINC001164790481 721415314 /nfs/dbraw/zinc/41/53/14/721415314.db2.gz XVBKGQCRBVEUSW-ROUUACIJSA-N 1 1 447.995 4.975 20 0 IJADMO Fc1ccc(-c2csc3ncnc(N4C[C@H]5C[NH+](Cc6nccs6)C[C@@H]5C4)c23)cc1 ZINC001164786574 721424473 /nfs/dbraw/zinc/42/44/73/721424473.db2.gz OYUJLHPSTZINMY-HZPDHXFCSA-N 1 1 437.569 4.522 20 0 IJADMO Cc1nc2scc(-c3cccs3)c2c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164782726 721426660 /nfs/dbraw/zinc/42/66/60/721426660.db2.gz HQKURPCXQORHTB-GJZGRUSLSA-N 1 1 439.635 4.753 20 0 IJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3ccc(Cl)cc3n1)CC2 ZINC001164782405 721462613 /nfs/dbraw/zinc/46/26/13/721462613.db2.gz APGZXAZCUYPIAY-JOCHJYFZSA-N 1 1 444.019 4.622 20 0 IJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)nc1 ZINC001164894483 721476112 /nfs/dbraw/zinc/47/61/12/721476112.db2.gz NBOYVMGUENXMME-RPLLCQBOSA-N 1 1 447.627 4.575 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cc(Cl)nc(Cl)n1)CC2 ZINC001164793798 721490337 /nfs/dbraw/zinc/49/03/37/721490337.db2.gz WQMXNTXIWUKRAN-UHFFFAOYSA-N 1 1 442.341 4.604 20 0 IJADMO Cc1nc2c3ccccc3oc2c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164796369 721497334 /nfs/dbraw/zinc/49/73/34/721497334.db2.gz RYBYSMYNRSIEKM-UHFFFAOYSA-N 1 1 427.552 4.960 20 0 IJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3cc(Cl)ccc32)[C@H]2CCCO[C@H]12 ZINC001164801516 721545273 /nfs/dbraw/zinc/54/52/73/721545273.db2.gz FNRZAIRRSZIVHN-WPYKKVEZSA-N 1 1 443.378 4.805 20 0 IJADMO CC(C)c1cc2c(ncnc2N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)s1 ZINC001164905746 721583290 /nfs/dbraw/zinc/58/32/90/721583290.db2.gz VVSUNXPVPRLXQR-QFIPXVFZSA-N 1 1 443.567 4.947 20 0 IJADMO Fc1cccc2nc(Cl)nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12 ZINC001164908523 721698347 /nfs/dbraw/zinc/69/83/47/721698347.db2.gz ZXAXSENWAWPFSX-NRFANRHFSA-N 1 1 447.892 4.555 20 0 IJADMO Fc1cc2ncnc(Cl)c2c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907279 721718515 /nfs/dbraw/zinc/71/85/15/721718515.db2.gz QJZVJDDXAOUIND-OAQYLSRUSA-N 1 1 447.892 4.555 20 0 IJADMO CC(C)(C)c1cc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904191 721719637 /nfs/dbraw/zinc/71/96/37/721719637.db2.gz AKESPLBBSBZIEE-NRFANRHFSA-N 1 1 435.950 4.560 20 0 IJADMO CC(C)c1ccc2ncnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164913121 721725208 /nfs/dbraw/zinc/72/52/08/721725208.db2.gz TYPNCBZWABDYKO-DEOSSOPVSA-N 1 1 437.538 4.886 20 0 IJADMO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164911255 721738281 /nfs/dbraw/zinc/73/82/81/721738281.db2.gz JRICJVZNGKTRKF-GAJHUEQPSA-N 1 1 440.542 4.604 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc(Oc3cccc(F)c3)n1)C2 ZINC001164909568 721758885 /nfs/dbraw/zinc/75/88/85/721758885.db2.gz IBQGEWJDHLFFRM-UHFFFAOYSA-N 1 1 445.498 4.591 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc(Oc3cccc(F)c3)n1)C2 ZINC001164909568 721758887 /nfs/dbraw/zinc/75/88/87/721758887.db2.gz IBQGEWJDHLFFRM-UHFFFAOYSA-N 1 1 445.498 4.591 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cccc(OCc3ccccc3)n1)C2 ZINC001164910790 721758907 /nfs/dbraw/zinc/75/89/07/721758907.db2.gz RQTUOGCXBMIAOE-UHFFFAOYSA-N 1 1 440.547 4.843 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cccc(OCc3ccccc3)n1)C2 ZINC001164910790 721758909 /nfs/dbraw/zinc/75/89/09/721758909.db2.gz RQTUOGCXBMIAOE-UHFFFAOYSA-N 1 1 440.547 4.843 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(OCc4ccccc4)n3)C[C@@H]21 ZINC001165027330 721819863 /nfs/dbraw/zinc/81/98/63/721819863.db2.gz UIEMHYTZNKEZPT-ZKMPZPQNSA-N 1 1 428.580 4.793 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4nc(C(C)(C)C)no4)ccn3)C[C@H]21 ZINC001165024099 721821314 /nfs/dbraw/zinc/82/13/14/721821314.db2.gz JSUZCEXXUVILGL-KSEOMHKRSA-N 1 1 446.599 4.561 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4[nH]c5ccc(Cl)cc5c43)C[C@H]21 ZINC001165018739 721821772 /nfs/dbraw/zinc/82/17/72/721821772.db2.gz AAPLBWVOARNIAU-SAWYMBPVSA-N 1 1 446.986 4.896 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3OCc3ccccc3)C[C@@H]21 ZINC001165019724 721823017 /nfs/dbraw/zinc/82/30/17/721823017.db2.gz BIFGLZNSHJTKKL-ZKMPZPQNSA-N 1 1 428.580 4.793 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(Cl)nc3-c3ccccc3)C[C@@H]21 ZINC001165019873 721826738 /nfs/dbraw/zinc/82/67/38/721826738.db2.gz CIFDZRNRDOJNRD-ILWGZMRPSA-N 1 1 433.987 4.929 20 0 IJADMO Cc1cc(-c2ccccc2F)nnc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026053 721830029 /nfs/dbraw/zinc/83/00/29/721830029.db2.gz ODBVIXAOIQYUJC-SWHJIRTISA-N 1 1 431.559 4.723 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(F)ccc4c(Cl)ncnc43)C[C@@H]21 ZINC001165025770 721831715 /nfs/dbraw/zinc/83/17/15/721831715.db2.gz NWPICWLYTIZXIS-ZAAXVRCTSA-N 1 1 425.939 4.554 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)C[C@@H]21 ZINC001165030192 721831821 /nfs/dbraw/zinc/83/18/21/721831821.db2.gz YRNYCDLCJKGYCD-DZFGPLHGSA-N 1 1 446.973 4.987 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4cnc(Cl)c(F)c4)CC3)C2)cc1 ZINC001164940573 721925490 /nfs/dbraw/zinc/92/54/90/721925490.db2.gz UCJPNDCIRDVYBH-UHFFFAOYSA-N 1 1 439.909 4.599 20 0 IJADMO Clc1ccc2nc(Cl)nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164954180 722012095 /nfs/dbraw/zinc/01/20/95/722012095.db2.gz JTKXATKALLRFEQ-UHFFFAOYSA-N 1 1 428.367 4.824 20 0 IJADMO Clc1cnc2cc(Cl)c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)cc2n1 ZINC001164953609 722016628 /nfs/dbraw/zinc/01/66/28/722016628.db2.gz VSXWZKTXSQSZJM-UHFFFAOYSA-N 1 1 428.367 4.824 20 0 IJADMO Clc1ncc(OCc2ccccc2)c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164952137 722018301 /nfs/dbraw/zinc/01/83/01/722018301.db2.gz HTVBBQMKFKVWMS-UHFFFAOYSA-N 1 1 449.986 4.597 20 0 IJADMO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995988 722202885 /nfs/dbraw/zinc/20/28/85/722202885.db2.gz REQFNEHLBFNTFG-XMMPIXPASA-N 1 1 444.982 4.647 20 0 IJADMO CC(C)(C)c1noc(-c2ccnc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2)n1 ZINC001164994407 722206618 /nfs/dbraw/zinc/20/66/18/722206618.db2.gz GFJJWCKJBPKZKA-RUZDIDTESA-N 1 1 435.547 4.813 20 0 IJADMO c1csc(-c2csc3nc(C[NH+]4CCCCC4)nc(N4CC[C@@H]5COC[C@H]5C4)c23)c1 ZINC001164387146 718819419 /nfs/dbraw/zinc/81/94/19/718819419.db2.gz DIOBKLQYQBJAIJ-IAGOWNOFSA-N 1 1 440.638 4.878 20 0 IJADMO CC(C)c1nccc([C@@H]2C[C@H]3CCN(c4nc(Cl)ccc4C[NH+]4CCCC4)C[C@H]3O2)n1 ZINC001164640868 719261524 /nfs/dbraw/zinc/26/15/24/719261524.db2.gz TWCKMYTYTABDDS-JRGCBEDISA-N 1 1 442.007 4.601 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@H]3[C@H]2CC[C@@H]3OCC2CCCC2)nc1 ZINC001164662562 719344097 /nfs/dbraw/zinc/34/40/97/719344097.db2.gz PFTZVXDVJJYTDP-BIATYSSJSA-N 1 1 427.633 4.962 20 0 IJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cnc(Cl)cc2C)CC3)cs1 ZINC001164694059 719809130 /nfs/dbraw/zinc/80/91/30/719809130.db2.gz UKOUMLFCSRVJOA-UHFFFAOYSA-N 1 1 426.964 4.988 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cnc(Cl)cc2C)CC3)cs1 ZINC001164694059 719809131 /nfs/dbraw/zinc/80/91/31/719809131.db2.gz UKOUMLFCSRVJOA-UHFFFAOYSA-N 1 1 426.964 4.988 20 0 IJADMO CCc1cc2c(nc(Cl)nc2N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)[nH]1 ZINC001164691648 719812547 /nfs/dbraw/zinc/81/25/47/719812547.db2.gz IWWBXOLSVRYUBK-UHFFFAOYSA-N 1 1 431.009 4.574 20 0 IJADMO FC(F)(c1cc(Cl)cnc1Cl)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696108 719887405 /nfs/dbraw/zinc/88/74/05/719887405.db2.gz XJCPAVAXMQPFNM-UHFFFAOYSA-N 1 1 448.366 4.866 20 0 IJADMO Clc1cnc(Cl)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1Cl ZINC001164696596 719892763 /nfs/dbraw/zinc/89/27/63/719892763.db2.gz GBVIGPOZHQAQLB-UHFFFAOYSA-N 1 1 432.804 4.975 20 0 IJADMO Cc1cc2nc(Cl)c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc2cc1C ZINC001164699253 719895420 /nfs/dbraw/zinc/89/54/20/719895420.db2.gz YHUNBQZCKHMRKW-UHFFFAOYSA-N 1 1 443.016 4.833 20 0 IJADMO c1csc(CN2CCOC3(CCN(c4[nH+]c(N5CCCC5)cc5ccccc54)CC3)C2)c1 ZINC001164707287 719899203 /nfs/dbraw/zinc/89/92/03/719899203.db2.gz OKZGKITULKGWCX-UHFFFAOYSA-N 1 1 448.636 4.768 20 0 IJADMO Clc1ccc2c(Cl)ncnc2c1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164705883 719908701 /nfs/dbraw/zinc/90/87/01/719908701.db2.gz FDJYQNVINPLRKS-UHFFFAOYSA-N 1 1 449.407 4.870 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)C2 ZINC001164811121 720104743 /nfs/dbraw/zinc/10/47/43/720104743.db2.gz LMNRMJAQVJPEEB-UGKGYDQZSA-N 1 1 435.946 4.618 20 0 IJADMO COc1ccc(-c2csc3ncnc(N4CC[C@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)c23)cc1 ZINC001164731549 720436423 /nfs/dbraw/zinc/43/64/23/720436423.db2.gz LVKHGHYWUOVDIC-VXKWHMMOSA-N 1 1 443.576 4.615 20 0 IJADMO Fc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n2)cc1 ZINC001164734446 720437767 /nfs/dbraw/zinc/43/77/67/720437767.db2.gz SEADDNYLYZEDAG-DNQXCXABSA-N 1 1 425.511 4.684 20 0 IJADMO Clc1cccc(-c2nc3c(c(N4CC[C@@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)n2)CCCC3)c1 ZINC001164725834 720462596 /nfs/dbraw/zinc/46/25/96/720462596.db2.gz BDMNUZQCPHLWBI-RPWUZVMVSA-N 1 1 445.998 4.924 20 0 IJADMO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732300 720486502 /nfs/dbraw/zinc/48/65/02/720486502.db2.gz ZBGMMRJVPKVQAZ-OALUTQOASA-N 1 1 430.886 4.788 20 0 IJADMO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732300 720486505 /nfs/dbraw/zinc/48/65/05/720486505.db2.gz ZBGMMRJVPKVQAZ-OALUTQOASA-N 1 1 430.886 4.788 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3)CC[C@@H]21 ZINC001164833850 720512498 /nfs/dbraw/zinc/51/24/98/720512498.db2.gz DRQHITNHIIBYMO-PVAVHDDUSA-N 1 1 444.357 4.508 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3c(Cl)cc(Cl)nc3Cl)CC[C@@H]21 ZINC001164832378 720522690 /nfs/dbraw/zinc/52/26/90/720522690.db2.gz AKKGCTGSJYMCMF-DZKIICNBSA-N 1 1 428.795 4.616 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(-c4ccccc4)cc(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834995 720541643 /nfs/dbraw/zinc/54/16/43/720541643.db2.gz GNGBMXNGWNLCDN-RJGXRXQPSA-N 1 1 436.003 4.976 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)cc(C4CCCCC4)n3)CC[C@@H]21 ZINC001164835182 720640108 /nfs/dbraw/zinc/64/01/08/720640108.db2.gz AJCQPVOAYFZGQM-URVUXULASA-N 1 1 443.039 4.752 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(Cl)nc4c(F)ccc(F)c34)CC[C@@H]21 ZINC001164842728 720648266 /nfs/dbraw/zinc/64/82/66/720648266.db2.gz UALBRWFLLOQCMX-GJYPPUQNSA-N 1 1 445.945 4.741 20 0 IJADMO COc1ccc2nc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c(C)cc2c1 ZINC001164840513 720658639 /nfs/dbraw/zinc/65/86/39/720658639.db2.gz NBCAOVCMAJYXHR-QHCPKHFHSA-N 1 1 431.580 4.812 20 0 IJADMO Cc1cc2c(nc(Cl)nc2N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)s1 ZINC001164844887 720679805 /nfs/dbraw/zinc/67/98/05/720679805.db2.gz VVPKPFPHQLDPPI-GOSISDBHSA-N 1 1 443.016 4.913 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc(-c3ccc(F)cc3)n1)CC2 ZINC001164843687 720687334 /nfs/dbraw/zinc/68/73/34/720687334.db2.gz QGQVFRFARHLTKJ-HSZRJFAPSA-N 1 1 432.543 4.543 20 0 IJADMO CCc1nc(Cl)c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)n1 ZINC001164840354 720717304 /nfs/dbraw/zinc/71/73/04/720717304.db2.gz PXNFORHJODFJES-QGZVFWFLSA-N 1 1 435.399 4.606 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(-c3cccc(F)c3)nn1)CC2 ZINC001164836468 720719554 /nfs/dbraw/zinc/71/95/54/720719554.db2.gz BAIVWPKBUIOWOX-QHCPKHFHSA-N 1 1 432.543 4.543 20 0 IJADMO Cc1cc2ccccc2nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747210 720879891 /nfs/dbraw/zinc/87/98/91/720879891.db2.gz ANLKROILCHSLBS-LEAFIULHSA-N 1 1 442.607 4.693 20 0 IJADMO Cc1nc(Cl)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C ZINC001164752637 720893497 /nfs/dbraw/zinc/89/34/97/720893497.db2.gz FNUPUFYEYSJQMC-RCZVLFRGSA-N 1 1 441.019 4.502 20 0 IJADMO Fc1ccc2cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2c1 ZINC001164755042 720919618 /nfs/dbraw/zinc/91/96/18/720919618.db2.gz XWKOJXDTXKYWPD-SHQCIBLASA-N 1 1 446.570 4.524 20 0 IJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(CCCN(c4cccc(C)c4)C3)C2)nc1 ZINC001164775279 721305633 /nfs/dbraw/zinc/30/56/33/721305633.db2.gz URCVBMNHTBWIBE-XNMGPUDCSA-N 1 1 434.628 4.813 20 0 IJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3ncnc(-c4ccc(F)cc4)c3CC2)nc1 ZINC001164776576 721316037 /nfs/dbraw/zinc/31/60/37/721316037.db2.gz FKCPEMQCQJMZIJ-XMMPIXPASA-N 1 1 431.559 4.830 20 0 IJADMO CCc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1 ZINC001164790184 721437187 /nfs/dbraw/zinc/43/71/87/721437187.db2.gz XDZSBDJRBNWUAY-IRXDYDNUSA-N 1 1 441.988 4.509 20 0 IJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3cc(Cl)ccc31)CC2 ZINC001164785245 721456108 /nfs/dbraw/zinc/45/61/08/721456108.db2.gz HSNKULFQZKQMBA-QFIPXVFZSA-N 1 1 444.019 4.622 20 0 IJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3c(Cl)cccc31)CC2 ZINC001164786734 721458906 /nfs/dbraw/zinc/45/89/06/721458906.db2.gz PHBWWEHEITYKPZ-FQEVSTJZSA-N 1 1 444.019 4.622 20 0 IJADMO COc1cc2c(cc1Cl)ncnc2N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792659 721495956 /nfs/dbraw/zinc/49/59/56/721495956.db2.gz TTWRRZMAEIETOC-UHFFFAOYSA-N 1 1 437.975 4.568 20 0 IJADMO Cc1nc2sc3c(c2c(N2CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC2)n1)CCC3 ZINC001164795397 721500102 /nfs/dbraw/zinc/50/01/02/721500102.db2.gz GFBWBMBUSCZBIG-UHFFFAOYSA-N 1 1 433.625 4.764 20 0 IJADMO Cc1c(Cl)nc(C2CCC2)nc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164796245 721504026 /nfs/dbraw/zinc/50/40/26/721504026.db2.gz QNMXTOUCASXKIJ-UHFFFAOYSA-N 1 1 426.008 4.982 20 0 IJADMO Fc1ccc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1Cl ZINC001164907493 721586859 /nfs/dbraw/zinc/58/68/59/721586859.db2.gz UNMAXXBLXPEZFS-GOSISDBHSA-N 1 1 446.851 4.552 20 0 IJADMO Cc1cccc2c(Cl)nnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12 ZINC001164903566 721702221 /nfs/dbraw/zinc/70/22/21/721702221.db2.gz ADSJYJMWXVSJPH-QFIPXVFZSA-N 1 1 443.929 4.724 20 0 IJADMO Fc1cnc(Cl)cc1C(F)(F)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908601 721703071 /nfs/dbraw/zinc/70/30/71/721703071.db2.gz YIHFOYPOAIISPN-GOSISDBHSA-N 1 1 446.851 4.552 20 0 IJADMO Cc1ccc(Cl)nc1C(F)(F)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906783 721712674 /nfs/dbraw/zinc/71/26/74/721712674.db2.gz OEKQOQGMAOOVMM-IBGZPJMESA-N 1 1 442.888 4.721 20 0 IJADMO Cc1nc(C2CCCCC2)cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904352 721720893 /nfs/dbraw/zinc/72/08/93/721720893.db2.gz CCYDNXROHSIQES-DEOSSOPVSA-N 1 1 441.570 4.965 20 0 IJADMO Cc1c[nH]c2nc(Cl)cc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12 ZINC001164906495 721721929 /nfs/dbraw/zinc/72/19/29/721721929.db2.gz MJEQDSIIGKXNSD-NRFANRHFSA-N 1 1 431.918 4.657 20 0 IJADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907433 721723084 /nfs/dbraw/zinc/72/30/84/721723084.db2.gz RZSVZJKQQMOJEF-QFIPXVFZSA-N 1 1 449.977 4.869 20 0 IJADMO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164911257 721738747 /nfs/dbraw/zinc/73/87/47/721738747.db2.gz JRICJVZNGKTRKF-SBUREZEXSA-N 1 1 440.542 4.604 20 0 IJADMO Cc1nc2cc(Cl)ccc2c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164911565 721755355 /nfs/dbraw/zinc/75/53/55/721755355.db2.gz WQQRNFITBLPGFW-UHFFFAOYSA-N 1 1 433.943 4.774 20 0 IJADMO Cc1nc2cc(Cl)ccc2c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164911565 721755357 /nfs/dbraw/zinc/75/53/57/721755357.db2.gz WQQRNFITBLPGFW-UHFFFAOYSA-N 1 1 433.943 4.774 20 0 IJADMO CN(Cc1ccco1)Cc1cncc2c1CCN(c1[nH+]cnc3c1ccn3C1CCCC1)C2 ZINC001164910670 721756511 /nfs/dbraw/zinc/75/65/11/721756511.db2.gz PLFURDLBHORLHB-UHFFFAOYSA-N 1 1 442.567 4.729 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1c(F)ccc3c(Cl)ncnc31)C2 ZINC001164910669 721765272 /nfs/dbraw/zinc/76/52/72/721765272.db2.gz KDESRECOSMPTOS-UHFFFAOYSA-N 1 1 437.906 4.605 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1c(F)ccc3c(Cl)ncnc31)C2 ZINC001164910669 721765278 /nfs/dbraw/zinc/76/52/78/721765278.db2.gz KDESRECOSMPTOS-UHFFFAOYSA-N 1 1 437.906 4.605 20 0 IJADMO CCc1nc(Cl)nc(Cl)c1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164912540 721765633 /nfs/dbraw/zinc/76/56/33/721765633.db2.gz ZAYNIOOSIKXAMM-UHFFFAOYSA-N 1 1 432.355 4.529 20 0 IJADMO CCc1nc(Cl)nc(Cl)c1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164912540 721765634 /nfs/dbraw/zinc/76/56/34/721765634.db2.gz ZAYNIOOSIKXAMM-UHFFFAOYSA-N 1 1 432.355 4.529 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc(Cc4ccccc4)n3)C[C@@H]21 ZINC001165029468 721808872 /nfs/dbraw/zinc/80/88/72/721808872.db2.gz ZEGRSASWXSKJDH-AKIFATBCSA-N 1 1 448.014 4.853 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(-c4cccc(Cl)n4)n3)C[C@@H]21 ZINC001165026452 721812661 /nfs/dbraw/zinc/81/26/61/721812661.db2.gz QRAPUCURGVXYTB-GREBRCKQSA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4cccc(Cl)c4)nn3)C[C@H]21 ZINC001165019867 721824170 /nfs/dbraw/zinc/82/41/70/721824170.db2.gz CIAYFIGZGCDZLV-ZFJSRUIDSA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3OCc3ccc(F)cc3)C[C@@H]21 ZINC001165025079 721826722 /nfs/dbraw/zinc/82/67/22/721826722.db2.gz LNZZFFRJMAEYBF-IEZKXTBUSA-N 1 1 446.570 4.932 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4c(F)cccc4F)nn3)C[C@@H]21 ZINC001165027036 721826801 /nfs/dbraw/zinc/82/68/01/721826801.db2.gz REZIPZSHENVBEW-HFJQGTKSSA-N 1 1 435.522 4.554 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(C(F)F)nc4ccc(F)cc43)C[C@@H]21 ZINC001165025083 721829164 /nfs/dbraw/zinc/82/91/64/721829164.db2.gz LOMPPFWHQVFJLC-MFMILTCTSA-N 1 1 441.501 4.838 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccnc(CSc4ccccc4)n3)C[C@@H]21 ZINC001165021474 721830007 /nfs/dbraw/zinc/83/00/07/721830007.db2.gz FTGOBZAPXUNLTK-NKKJXINNSA-N 1 1 445.636 4.901 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(Cl)nc(Cl)nc3C3CC3)C[C@@H]21 ZINC001165028309 721830928 /nfs/dbraw/zinc/83/09/28/721830928.db2.gz VFLDHNPXVWGSHF-BPQIPLTHSA-N 1 1 432.399 4.793 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(Cl)nc(Cl)nc3C3CC3)C[C@H]21 ZINC001165028311 721831057 /nfs/dbraw/zinc/83/10/57/721831057.db2.gz VFLDHNPXVWGSHF-KBAYOESNSA-N 1 1 432.399 4.793 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C[C@@H]21 ZINC001165027383 721831473 /nfs/dbraw/zinc/83/14/73/721831473.db2.gz RZTUSYPYFJVZDQ-JRGCBEDISA-N 1 1 446.973 4.987 20 0 IJADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2nc(Cl)ccc2C)CC1 ZINC001165022019 721842145 /nfs/dbraw/zinc/84/21/45/721842145.db2.gz MSHYBVRWOINIRY-UHFFFAOYSA-N 1 1 439.934 4.706 20 0 IJADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC[C@H](c5ccncc5)C4)c23)C1 ZINC001165040665 721928954 /nfs/dbraw/zinc/92/89/54/721928954.db2.gz ICLMQCKZBGTHHN-HKUYNNGSSA-N 1 1 433.625 4.801 20 0 IJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3Cc4c(c(-c5ccccc5)nn4C)[C@@H]3C2)nc1 ZINC001164951707 722005619 /nfs/dbraw/zinc/00/56/19/722005619.db2.gz IQIROKLOCUFKJK-YTFSRNRJSA-N 1 1 427.596 4.805 20 0 IJADMO FC(F)(c1cnc(Cl)cc1Cl)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164954695 722013370 /nfs/dbraw/zinc/01/33/70/722013370.db2.gz OHNUEMNYWARUBM-UHFFFAOYSA-N 1 1 427.326 4.821 20 0 IJADMO CCN(c1ccccc1)c1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ncn1 ZINC001164959045 722023417 /nfs/dbraw/zinc/02/34/17/722023417.db2.gz HPIUHZRKSASILN-UHFFFAOYSA-N 1 1 428.584 4.522 20 0 IJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CN(C(C)=O)c4ccc(C)cc43)CC2)nc1 ZINC001164988306 722189756 /nfs/dbraw/zinc/18/97/56/722189756.db2.gz GCBAVVCDPUJHJK-DEOSSOPVSA-N 1 1 432.612 4.842 20 0 IJADMO COC(=O)C[C@H](c1ccnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1)C1CC1 ZINC001164994834 722206944 /nfs/dbraw/zinc/20/69/44/722206944.db2.gz IOGQUKJNIMZPHO-JYFHCDHNSA-N 1 1 437.559 4.522 20 0 IJADMO COc1cc2c(cc1C[NH2+][C@H]1CCCN[C@H]1c1ccccc1)[C@@](C)(C(F)(F)F)OCC2 ZINC000040395238 563100698 /nfs/dbraw/zinc/10/06/98/563100698.db2.gz ODEBBNRINYMIRX-PMVMPFDFSA-N 1 1 434.502 4.628 20 0 IJADMO c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4COC[C@@H]4C3)c2c1-c1ccccc1 ZINC001164387551 718818878 /nfs/dbraw/zinc/81/88/78/718818878.db2.gz IAYYKODPLLNUBB-UXHICEINSA-N 1 1 434.609 4.817 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc4c(C)cccc42)CC3)cs1 ZINC001164694349 719806639 /nfs/dbraw/zinc/80/66/39/719806639.db2.gz VOICHTJUSIOWNF-UHFFFAOYSA-N 1 1 428.005 4.992 20 0 IJADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccc(-c4ccc(N(C)C)cc4)n2)CC3)cs1 ZINC001164693715 719811979 /nfs/dbraw/zinc/81/19/79/719811979.db2.gz YIAUOGRZXPEMKN-UHFFFAOYSA-N 1 1 448.640 4.610 20 0 IJADMO Cc1sc2nc(C)nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c1C ZINC001164695301 719892220 /nfs/dbraw/zinc/89/22/20/719892220.db2.gz MHSYMIQKVHZLNX-UHFFFAOYSA-N 1 1 428.627 4.549 20 0 IJADMO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc1 ZINC001164707721 719904325 /nfs/dbraw/zinc/90/43/25/719904325.db2.gz WHSMZMWKXSQRCA-HSZRJFAPSA-N 1 1 440.657 4.561 20 0 IJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc1 ZINC001164707721 719904335 /nfs/dbraw/zinc/90/43/35/719904335.db2.gz WHSMZMWKXSQRCA-HSZRJFAPSA-N 1 1 440.657 4.561 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3scc(-c4ccccc4)c31)C2 ZINC001164807583 720091252 /nfs/dbraw/zinc/09/12/52/720091252.db2.gz GAMAJVFNVPOHEQ-NBGIEHNGSA-N 1 1 434.609 4.543 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3scc(-c4cccs4)c31)C2 ZINC001164810406 720091437 /nfs/dbraw/zinc/09/14/37/720091437.db2.gz LRIQWEPWUJOSCH-HXOBKFHXSA-N 1 1 440.638 4.605 20 0 IJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3ccsc31)CC2 ZINC001164716970 720111254 /nfs/dbraw/zinc/11/12/54/720111254.db2.gz MPHNIVWFLXHGHA-GOSISDBHSA-N 1 1 443.016 4.852 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3Cl)nc(C)c1C)C2 ZINC001164815581 720183922 /nfs/dbraw/zinc/18/39/22/720183922.db2.gz IJRQEBZLTHTYSO-NLFFAJNJSA-N 1 1 441.019 4.599 20 0 IJADMO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164729401 720457346 /nfs/dbraw/zinc/45/73/46/720457346.db2.gz HJOOYSCCRYDGLT-LEWJYISDSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164729401 720457366 /nfs/dbraw/zinc/45/73/66/720457366.db2.gz HJOOYSCCRYDGLT-LEWJYISDSA-N 1 1 441.913 4.590 20 0 IJADMO Clc1cccc(-c2nc3c(c(N4CC[C@H]5[C@H]4CC[N@H+]5Cc4cccnc4)n2)CCCC3)c1 ZINC001164725824 720459422 /nfs/dbraw/zinc/45/94/22/720459422.db2.gz BDMNUZQCPHLWBI-BJKOFHAPSA-N 1 1 445.998 4.924 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4ccc(Cl)cc43)CC[C@@H]21 ZINC001164834446 720507442 /nfs/dbraw/zinc/50/74/42/720507442.db2.gz GNFMXMSOLIVYHX-SYNHAJSKSA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)CC[C@@H]21 ZINC001164839933 720648923 /nfs/dbraw/zinc/64/89/23/720648923.db2.gz LCBZBBJRUJFKDY-LMNJBCLMSA-N 1 1 449.977 4.732 20 0 IJADMO Cc1ccc(C(F)(F)N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1Cl ZINC001164842048 720692595 /nfs/dbraw/zinc/69/25/95/720692595.db2.gz LHXUXCWHUOHBAI-IBGZPJMESA-N 1 1 435.946 4.848 20 0 IJADMO Cc1ccc(Cl)nc1C(F)(F)N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842655 720700022 /nfs/dbraw/zinc/70/00/22/720700022.db2.gz MDEJHSAAJPBOGR-LJQANCHMSA-N 1 1 435.946 4.848 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(C(C)(C)C)nc3[nH]ccc31)CC2 ZINC001164842885 720707250 /nfs/dbraw/zinc/70/72/50/720707250.db2.gz ZVHBNFCKEZLVLG-HXUWFJFHSA-N 1 1 433.600 4.515 20 0 IJADMO Cc1ccc(-c2ccc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)cc1 ZINC001164842286 720709869 /nfs/dbraw/zinc/70/98/69/720709869.db2.gz XQNUOVVPVYKGHI-DEOSSOPVSA-N 1 1 428.580 4.712 20 0 IJADMO COc1cc2cnc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)cc2cc1OC ZINC001164839087 720716946 /nfs/dbraw/zinc/71/69/46/720716946.db2.gz KOMPXPGRSKNXMD-QHCPKHFHSA-N 1 1 447.579 4.512 20 0 IJADMO COc1cc2cnc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)cc2cc1OC ZINC001164839087 720716957 /nfs/dbraw/zinc/71/69/57/720716957.db2.gz KOMPXPGRSKNXMD-QHCPKHFHSA-N 1 1 447.579 4.512 20 0 IJADMO Cc1cccc2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc12 ZINC001164753401 720868843 /nfs/dbraw/zinc/86/88/43/720868843.db2.gz PGXQYSSIJUBBHP-NAKRPHOHSA-N 1 1 442.607 4.693 20 0 IJADMO Cc1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2c1 ZINC001164749143 720869539 /nfs/dbraw/zinc/86/95/39/720869539.db2.gz HIDKYZIOVMAEMG-LEAFIULHSA-N 1 1 442.607 4.693 20 0 IJADMO Fc1cccc2c1ccnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754521 720894110 /nfs/dbraw/zinc/89/41/10/720894110.db2.gz JESLFACVPJHTGS-AJTFRIOCSA-N 1 1 446.570 4.524 20 0 IJADMO CSc1ccc(C(F)(F)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)nc1Cl ZINC001164864143 720972078 /nfs/dbraw/zinc/97/20/78/720972078.db2.gz XVRLTBCBYYGTLT-CYBMUJFWSA-N 1 1 429.968 4.620 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cnc(Cl)nc1Oc1ccccc1)[C@H]2C ZINC001164861620 721018792 /nfs/dbraw/zinc/01/87/92/721018792.db2.gz PCBDRGISVZYDGD-INIZCTEOSA-N 1 1 426.952 4.540 20 0 IJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C)c4ccc(C)c(C)c4n3)C2)C1 ZINC001164780670 721367710 /nfs/dbraw/zinc/36/77/10/721367710.db2.gz GJGXBAQWDUQVCW-MHZLTWQESA-N 1 1 448.611 4.884 20 0 IJADMO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164782862 721400395 /nfs/dbraw/zinc/40/03/95/721400395.db2.gz GHTLDIZNEGUCLB-HDICACEKSA-N 1 1 446.954 4.972 20 0 IJADMO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164782862 721400396 /nfs/dbraw/zinc/40/03/96/721400396.db2.gz GHTLDIZNEGUCLB-HDICACEKSA-N 1 1 446.954 4.972 20 0 IJADMO Cc1ccc2nc(-c3ccccc3F)nc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c2c1 ZINC001164784093 721415541 /nfs/dbraw/zinc/41/55/41/721415541.db2.gz KKMYLUZGXNSFFW-ROUUACIJSA-N 1 1 445.567 4.769 20 0 IJADMO Clc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)cc1 ZINC001164782714 721436452 /nfs/dbraw/zinc/43/64/52/721436452.db2.gz HNIVKBJVJOLACX-KBPBESRZSA-N 1 1 448.379 4.600 20 0 IJADMO CCc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164788917 721437808 /nfs/dbraw/zinc/43/78/08/721437808.db2.gz UHCBSRBTFHGAAE-CALCHBBNSA-N 1 1 441.988 4.509 20 0 IJADMO CCc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164788917 721437811 /nfs/dbraw/zinc/43/78/11/721437811.db2.gz UHCBSRBTFHGAAE-CALCHBBNSA-N 1 1 441.988 4.509 20 0 IJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3ccc(Cl)cc31)CC2 ZINC001164789446 721456079 /nfs/dbraw/zinc/45/60/79/721456079.db2.gz WIJLIQXDYCVMOJ-JOCHJYFZSA-N 1 1 444.019 4.622 20 0 IJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)nc1 ZINC001164902879 721572219 /nfs/dbraw/zinc/57/22/19/721572219.db2.gz NBBPOZBSICZNME-NTPPTQMCSA-N 1 1 436.575 4.869 20 0 IJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(SCc3ccccc3)ccn2)[C@H]2CCCO[C@H]12 ZINC001164799339 721583224 /nfs/dbraw/zinc/58/32/24/721583224.db2.gz AWGLHKLYSWBNGG-GSLIJJQTSA-N 1 1 446.620 4.637 20 0 IJADMO Cc1ccc(C)c(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)c1 ZINC001164912806 721727315 /nfs/dbraw/zinc/72/73/15/721727315.db2.gz QHMXHIZQKFQGSH-RUZDIDTESA-N 1 1 449.549 4.893 20 0 IJADMO Fc1ccc2c(Cl)nnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164910631 721732308 /nfs/dbraw/zinc/73/23/08/721732308.db2.gz HCKCJPBLHPNEOV-NRFANRHFSA-N 1 1 447.892 4.555 20 0 IJADMO CC(C)c1cc2c(ncnc2N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)s1 ZINC001164909392 721744141 /nfs/dbraw/zinc/74/41/41/721744141.db2.gz QSNOVJCYFDXDGB-UHFFFAOYSA-N 1 1 433.581 4.997 20 0 IJADMO CC(C)c1cc2c(ncnc2N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)s1 ZINC001164909392 721744142 /nfs/dbraw/zinc/74/41/42/721744142.db2.gz QSNOVJCYFDXDGB-UHFFFAOYSA-N 1 1 433.581 4.997 20 0 IJADMO Cc1cc(C(F)(F)N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)cc(Cl)n1 ZINC001164907887 721746246 /nfs/dbraw/zinc/74/62/46/721746246.db2.gz CRPQDXDWZVNEHE-UHFFFAOYSA-N 1 1 432.902 4.771 20 0 IJADMO Cc1cc(C(F)(F)N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)cc(Cl)n1 ZINC001164907887 721746253 /nfs/dbraw/zinc/74/62/53/721746253.db2.gz CRPQDXDWZVNEHE-UHFFFAOYSA-N 1 1 432.902 4.771 20 0 IJADMO Cc1cccc2c(Cl)nnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c12 ZINC001164910122 721753414 /nfs/dbraw/zinc/75/34/14/721753414.db2.gz NGJFNFRSJDDCHI-UHFFFAOYSA-N 1 1 433.943 4.774 20 0 IJADMO Cc1cccc2c(Cl)nnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c12 ZINC001164910122 721753418 /nfs/dbraw/zinc/75/34/18/721753418.db2.gz NGJFNFRSJDDCHI-UHFFFAOYSA-N 1 1 433.943 4.774 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)C[C@@H]21 ZINC001165024160 721812289 /nfs/dbraw/zinc/81/22/89/721812289.db2.gz JEGNOFRUIFCCSY-ZAAXVRCTSA-N 1 1 445.945 4.893 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(C4CC4)nnc3Cl)C[C@@H]21 ZINC001165028987 721824665 /nfs/dbraw/zinc/82/46/65/721824665.db2.gz WCVLGXZKWNEUHZ-PLMTUMEDSA-N 1 1 447.961 4.684 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(F)ccc4c(Cl)ncnc43)C[C@@H]21 ZINC001165025767 721831685 /nfs/dbraw/zinc/83/16/85/721831685.db2.gz NWPICWLYTIZXIS-MOXGXCLJSA-N 1 1 425.939 4.554 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCC4)C[C@H]21 ZINC001165029563 721832057 /nfs/dbraw/zinc/83/20/57/721832057.db2.gz XFKMXYCDMWUPGK-ZWDAVXSWSA-N 1 1 446.973 4.901 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCC4)C[C@H]21 ZINC001165029553 721832343 /nfs/dbraw/zinc/83/23/43/721832343.db2.gz XFKMXYCDMWUPGK-DKZVUGQWSA-N 1 1 446.973 4.901 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(C)nc5c6ccccc6oc54)CC3)C2)cc1 ZINC001164939039 721928270 /nfs/dbraw/zinc/92/82/70/721928270.db2.gz HQPZXLFGFRGDDV-UHFFFAOYSA-N 1 1 442.563 4.864 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nccc(Oc5cccc(F)c5)n4)CC3)C2)cc1 ZINC001164940212 721929615 /nfs/dbraw/zinc/92/96/15/721929615.db2.gz SCLIXECUHHLJSL-UHFFFAOYSA-N 1 1 448.542 4.588 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nnc(Cl)c5ccc(F)cc54)CC3)C2)cc1 ZINC001164939450 721932392 /nfs/dbraw/zinc/93/23/92/721932392.db2.gz LMSHULYAHZEXED-UHFFFAOYSA-N 1 1 440.950 4.602 20 0 IJADMO CCc1nc2sc3c(c2c(N2CCC4(CC[N@@H+](Cc5cccnc5)C4)CC2)n1)CCC3 ZINC001164955871 722021822 /nfs/dbraw/zinc/02/18/22/722021822.db2.gz QFOFDRVPJCVREZ-UHFFFAOYSA-N 1 1 433.625 4.630 20 0 IJADMO FC(F)(c1cccc2c(Cl)ncnc21)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955893 722022124 /nfs/dbraw/zinc/02/21/24/722022124.db2.gz RHUSAYCEEFRQLY-UHFFFAOYSA-N 1 1 443.929 4.716 20 0 IJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C[C@@H](OCC4CCCC4)CO3)C2)nc1 ZINC001164978975 722166143 /nfs/dbraw/zinc/16/61/43/722166143.db2.gz SOOJTPMVHPSZRK-MZKUHISZSA-N 1 1 427.633 4.963 20 0 IJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)nc1 ZINC001164978972 722166243 /nfs/dbraw/zinc/16/62/43/722166243.db2.gz SOOJTPMVHPSZRK-BFLUCZKCSA-N 1 1 427.633 4.963 20 0 IJADMO COc1cc2c(cc1Cl)ncnc2N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994028 722200372 /nfs/dbraw/zinc/20/03/72/722200372.db2.gz DCVLBNRGGSMPSC-QHCPKHFHSA-N 1 1 426.923 4.676 20 0 IJADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164994949 722202084 /nfs/dbraw/zinc/20/20/84/722202084.db2.gz JWZJJHSPHOZVSN-DEOSSOPVSA-N 1 1 444.982 4.601 20 0 IJADMO O=C(c1cccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1)N1CCCCC1 ZINC000013779646 563006205 /nfs/dbraw/zinc/00/62/05/563006205.db2.gz DHBAVPRIEVIAEK-UHFFFAOYSA-N 1 1 431.502 4.654 20 0 IJADMO C(c1nc2sc3c(c2c(N2CC[C@@H]4CCCO[C@H]4C2)n1)CCCC3)[NH+]1CCCCC1 ZINC001164422220 718902933 /nfs/dbraw/zinc/90/29/33/718902933.db2.gz XMKMYTDZZSKSHX-HKUYNNGSSA-N 1 1 426.630 4.561 20 0 IJADMO Cc1[nH+]cc2n1CCN(C(F)(F)c1cc(-c3ccccc3C(F)(F)F)nnc1Cl)C2 ZINC001164450417 718992638 /nfs/dbraw/zinc/99/26/38/718992638.db2.gz VVRPFGDZWMKSBZ-UHFFFAOYSA-N 1 1 443.807 4.886 20 0 IJADMO Fc1ccc(Oc2nc(Cl)nc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)n2)cc1 ZINC001164624393 719085557 /nfs/dbraw/zinc/08/55/57/719085557.db2.gz LWBDAZFFITVDDE-FXAWDEMLSA-N 1 1 439.922 4.557 20 0 IJADMO Fc1cccc(Oc2nc(Cl)nc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)n2)c1 ZINC001164632315 719086505 /nfs/dbraw/zinc/08/65/05/719086505.db2.gz ZHDRFSJAMSARMH-FXAWDEMLSA-N 1 1 439.922 4.557 20 0 IJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc3ccccc3c(-c3ccccc3)n1)CC2 ZINC001164650421 719310293 /nfs/dbraw/zinc/31/02/93/719310293.db2.gz YADYLMJPWZLEBX-UHFFFAOYSA-N 1 1 426.568 4.699 20 0 IJADMO COc1ccc2c(C)cc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)[nH+]c2c1 ZINC001164671708 719515772 /nfs/dbraw/zinc/51/57/72/719515772.db2.gz IGVAJEARGNPDCC-UHFFFAOYSA-N 1 1 435.543 4.562 20 0 IJADMO COc1ccc(C(F)(F)N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c(Cl)n1 ZINC001164694099 719808249 /nfs/dbraw/zinc/80/82/49/719808249.db2.gz UUYMOKFPPBVPPQ-UHFFFAOYSA-N 1 1 442.963 4.688 20 0 IJADMO COc1ccc(C(F)(F)N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c(Cl)n1 ZINC001164694099 719808250 /nfs/dbraw/zinc/80/82/50/719808250.db2.gz UUYMOKFPPBVPPQ-UHFFFAOYSA-N 1 1 442.963 4.688 20 0 IJADMO CCOC(=O)c1cc(Cl)nc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c1C ZINC001164692567 719808661 /nfs/dbraw/zinc/80/86/61/719808661.db2.gz JIVLCZLUEUHCPH-UHFFFAOYSA-N 1 1 449.020 4.620 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc4cc(C)ccc42)CC3)cs1 ZINC001164692010 719809243 /nfs/dbraw/zinc/80/92/43/719809243.db2.gz FEOSZJRXSGRYDX-UHFFFAOYSA-N 1 1 428.005 4.992 20 0 IJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2nc(C)c(C)c(Cl)n2)CC3)cs1 ZINC001164692507 719811482 /nfs/dbraw/zinc/81/14/82/719811482.db2.gz IQXRGZZCUQZIMH-UHFFFAOYSA-N 1 1 441.979 4.692 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2nc(C)c(C)c(Cl)n2)CC3)cs1 ZINC001164692507 719811483 /nfs/dbraw/zinc/81/14/83/719811483.db2.gz IQXRGZZCUQZIMH-UHFFFAOYSA-N 1 1 441.979 4.692 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)cc(-c4ccncc4)n2)CC3)cs1 ZINC001164699702 719816219 /nfs/dbraw/zinc/81/62/19/719816219.db2.gz ILAWBMBQUHNORZ-UHFFFAOYSA-N 1 1 441.004 4.592 20 0 IJADMO Clc1ccc2c(c1)nc(Cl)nc2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696123 719892194 /nfs/dbraw/zinc/89/21/94/719892194.db2.gz YGTGVUOGNRXQAS-UHFFFAOYSA-N 1 1 449.407 4.870 20 0 IJADMO Clc1ncc(-c2ccccc2)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164698305 719892871 /nfs/dbraw/zinc/89/28/71/719892871.db2.gz RFJNXBQLPOQVNP-UHFFFAOYSA-N 1 1 441.000 4.730 20 0 IJADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164706280 719903954 /nfs/dbraw/zinc/90/39/54/719903954.db2.gz GYALXOJFCBHQQN-INIZCTEOSA-N 1 1 435.037 4.885 20 0 IJADMO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc1 ZINC001164707722 719905104 /nfs/dbraw/zinc/90/51/04/719905104.db2.gz WHSMZMWKXSQRCA-QHCPKHFHSA-N 1 1 440.657 4.561 20 0 IJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc1 ZINC001164707722 719905122 /nfs/dbraw/zinc/90/51/22/719905122.db2.gz WHSMZMWKXSQRCA-QHCPKHFHSA-N 1 1 440.657 4.561 20 0 IJADMO Fc1ccc(-c2nnc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c3ccccc32)cc1 ZINC001164731534 720439920 /nfs/dbraw/zinc/43/99/20/720439920.db2.gz LNOFWKIXMXLGSF-ZEQRLZLVSA-N 1 1 425.511 4.684 20 0 IJADMO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726767 720478229 /nfs/dbraw/zinc/47/82/29/720478229.db2.gz LXGTYVJMLXNEGV-UXHICEINSA-N 1 1 435.959 4.733 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)cc4c(Cl)ccnc43)CC[C@@H]21 ZINC001164839629 720538684 /nfs/dbraw/zinc/53/86/84/720538684.db2.gz QWYVTCOFVJXRSB-BXWFABGCSA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(-c4ccccc4)cc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834998 720541588 /nfs/dbraw/zinc/54/15/88/720541588.db2.gz GNGBMXNGWNLCDN-XPWALMASSA-N 1 1 436.003 4.976 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc4c(Cl)cccc4nc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839208 720636464 /nfs/dbraw/zinc/63/64/64/720636464.db2.gz MDHAHXCFOSCJLK-JTDSTZFVSA-N 1 1 445.398 4.511 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1csc3ncnc(Cl)c13)CC2 ZINC001164845345 720680394 /nfs/dbraw/zinc/68/03/94/720680394.db2.gz YKKHEAWYVLEURR-QGZVFWFLSA-N 1 1 428.989 4.605 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3c(F)cccc31)CC2 ZINC001164845366 720684859 /nfs/dbraw/zinc/68/48/59/720684859.db2.gz YTQGHDFYLSAHNV-SFHVURJKSA-N 1 1 440.950 4.682 20 0 IJADMO Cc1ccc2nc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c(Cl)nc2c1 ZINC001164839521 720687982 /nfs/dbraw/zinc/68/79/82/720687982.db2.gz AFEOMDSZRUQYSL-HXUWFJFHSA-N 1 1 436.987 4.852 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1nc(Cl)ccc1F)CC2 ZINC001164841934 720689615 /nfs/dbraw/zinc/68/96/15/720689615.db2.gz KFVKIIKABZCSEP-QGZVFWFLSA-N 1 1 439.909 4.679 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)cc(C(C)(C)C)n1)CC2 ZINC001164840287 720706783 /nfs/dbraw/zinc/70/67/83/720706783.db2.gz ONRAYRRAECLFTN-IBGZPJMESA-N 1 1 429.008 4.687 20 0 IJADMO CCc1ccc(-c2ccc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)cc1 ZINC001164840976 720718097 /nfs/dbraw/zinc/71/80/97/720718097.db2.gz UAXUPFJKHKJODR-RUZDIDTESA-N 1 1 442.607 4.966 20 0 IJADMO COc1cc2nc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)ccc2c(OC)c1 ZINC001164840892 720725788 /nfs/dbraw/zinc/72/57/88/720725788.db2.gz RTRUPXCUUNCPOO-NRFANRHFSA-N 1 1 447.579 4.512 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3[nH]c4cc(F)ccc4c31)CC2 ZINC001164838839 720729503 /nfs/dbraw/zinc/72/95/03/720729503.db2.gz YGANCHRUEHDMRN-HXUWFJFHSA-N 1 1 445.542 4.510 20 0 IJADMO Cc1nc2sc3c(c2c(N2CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]2C)n1)CCCCC3 ZINC001164858063 721003956 /nfs/dbraw/zinc/00/39/56/721003956.db2.gz GQMYZWWKHLSCJX-MRXNPFEDSA-N 1 1 438.645 4.887 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)nc1 ZINC001164873711 721318996 /nfs/dbraw/zinc/31/89/96/721318996.db2.gz ALCDRYUDIGKQHK-DNQXCXABSA-N 1 1 432.612 4.519 20 0 IJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4c(Cl)cccc4n3)C2)C1 ZINC001164776353 721348902 /nfs/dbraw/zinc/34/89/02/721348902.db2.gz ASHXZDNFBXYTRF-DEOSSOPVSA-N 1 1 440.975 4.612 20 0 IJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4ccc(Cl)cc4n3)C2)C1 ZINC001164780688 721357725 /nfs/dbraw/zinc/35/77/25/721357725.db2.gz GMXWGTKEGKDBAZ-DEOSSOPVSA-N 1 1 440.975 4.612 20 0 IJADMO Cc1ccc(-c2nnc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c3ccccc32)cc1C ZINC001164781237 721426103 /nfs/dbraw/zinc/42/61/03/721426103.db2.gz CNMYBLWKJSGQDE-SFTDATJTSA-N 1 1 441.604 4.938 20 0 IJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3cccc(Cl)c31)CC2 ZINC001164788581 721460256 /nfs/dbraw/zinc/46/02/56/721460256.db2.gz UKYYSBSCPGPZMZ-NRFANRHFSA-N 1 1 444.019 4.622 20 0 IJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3ccc(Cl)cc3n1)CC2 ZINC001164782439 721462409 /nfs/dbraw/zinc/46/24/09/721462409.db2.gz APGZXAZCUYPIAY-QFIPXVFZSA-N 1 1 444.019 4.622 20 0 IJADMO COc1ccc2nc(Cl)nc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2c1 ZINC001164793218 721489141 /nfs/dbraw/zinc/48/91/41/721489141.db2.gz PWZLXHXPMCVVKX-UHFFFAOYSA-N 1 1 437.975 4.568 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3[nH]cc(Cl)c31)CC2 ZINC001164793602 721490122 /nfs/dbraw/zinc/49/01/22/721490122.db2.gz UJHKNINFXKEELC-UHFFFAOYSA-N 1 1 431.371 4.541 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc(Oc3ccc(F)cc3)n1)CC2 ZINC001164796342 721501500 /nfs/dbraw/zinc/50/15/00/721501500.db2.gz QTBKFJXESZVMGZ-UHFFFAOYSA-N 1 1 433.531 4.684 20 0 IJADMO COc1cc2cnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)cc2cc1OC ZINC001164796349 721501829 /nfs/dbraw/zinc/50/18/29/721501829.db2.gz QUTMVIHVSMOCBX-UHFFFAOYSA-N 1 1 432.568 4.528 20 0 IJADMO COc1cc2cnc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)cc2cc1OC ZINC001164796349 721501835 /nfs/dbraw/zinc/50/18/35/721501835.db2.gz QUTMVIHVSMOCBX-UHFFFAOYSA-N 1 1 432.568 4.528 20 0 IJADMO Cc1c(Cl)nc(CC(C)C)nc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164796300 721503012 /nfs/dbraw/zinc/50/30/12/721503012.db2.gz RGBIZMRUMWZENN-UHFFFAOYSA-N 1 1 428.024 4.913 20 0 IJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2-c2ccccc2)[C@H]2CCCO[C@@H]12 ZINC001164799118 721552475 /nfs/dbraw/zinc/55/24/75/721552475.db2.gz ASWZVVXCRJXAPG-WMTXJRDZSA-N 1 1 434.971 4.665 20 0 IJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)ccc3ccc(Cl)nc32)[C@@H]2CCCO[C@H]12 ZINC001164802642 721588654 /nfs/dbraw/zinc/58/86/54/721588654.db2.gz HMLPMLVBZIYBPV-PWHSHALESA-N 1 1 443.378 4.805 20 0 IJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(Cl)ccc(Cl)c3n2)[C@@H]2CCCO[C@H]21 ZINC001164811960 721588869 /nfs/dbraw/zinc/58/88/69/721588869.db2.gz ZDWRFTJMNGAPDL-TXTKFYIRSA-N 1 1 443.378 4.805 20 0 IJADMO COc1ccc2c(C)cc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2c1 ZINC001164908319 721712589 /nfs/dbraw/zinc/71/25/89/721712589.db2.gz WZEMGTTVGDPWJS-XMMPIXPASA-N 1 1 438.522 4.685 20 0 IJADMO Cc1nc2c3ccccc3oc2c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908933 721714340 /nfs/dbraw/zinc/71/43/40/721714340.db2.gz ZRQNPUFBXRTKTH-DEOSSOPVSA-N 1 1 449.505 4.817 20 0 IJADMO Cc1ccc2c(c1)nc(Cl)nc2N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164910879 721755139 /nfs/dbraw/zinc/75/51/39/721755139.db2.gz SVYVJTJXOUMCHT-UHFFFAOYSA-N 1 1 433.943 4.774 20 0 IJADMO Cc1ccc2c(c1)nc(Cl)nc2N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164910879 721755141 /nfs/dbraw/zinc/75/51/41/721755141.db2.gz SVYVJTJXOUMCHT-UHFFFAOYSA-N 1 1 433.943 4.774 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)ncc1-c1ccccc1)C2 ZINC001164910137 721755806 /nfs/dbraw/zinc/75/58/06/721755806.db2.gz OCYUITLQTHRKBM-UHFFFAOYSA-N 1 1 445.954 4.980 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)ncc1-c1ccccc1)C2 ZINC001164910137 721755807 /nfs/dbraw/zinc/75/58/07/721755807.db2.gz OCYUITLQTHRKBM-UHFFFAOYSA-N 1 1 445.954 4.980 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c(F)cccc43)C[C@@H]21 ZINC001165024298 721809984 /nfs/dbraw/zinc/80/99/84/721809984.db2.gz KHCBTTIOWVVZBP-ZAAXVRCTSA-N 1 1 425.939 4.554 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3CCCCC4)C[C@H]21 ZINC001165024199 721810315 /nfs/dbraw/zinc/81/03/15/721810315.db2.gz JPUNRGKIOACKGE-NQSCKRDGSA-N 1 1 426.008 4.531 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccccc4Cl)nn3)C[C@H]21 ZINC001165024105 721817879 /nfs/dbraw/zinc/81/78/79/721817879.db2.gz IRYUPQDLPPLIQQ-SNYIIPAISA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccccc4Cl)nn3)C[C@H]21 ZINC001165024100 721818200 /nfs/dbraw/zinc/81/82/00/721818200.db2.gz IRYUPQDLPPLIQQ-MEKIYTOJSA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4nc(C(C)(C)C)no4)ccn3)C[C@@H]21 ZINC001165024089 721821408 /nfs/dbraw/zinc/82/14/08/721821408.db2.gz JSUZCEXXUVILGL-BAGYTPMASA-N 1 1 446.599 4.561 20 0 IJADMO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001165027502 721829212 /nfs/dbraw/zinc/82/92/12/721829212.db2.gz SIRWKPYXTLAOSF-ILWGZMRPSA-N 1 1 449.002 4.632 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccnc(CSc4ccccc4)n3)C[C@H]21 ZINC001165021477 721830083 /nfs/dbraw/zinc/83/00/83/721830083.db2.gz FTGOBZAPXUNLTK-TUACAJSNSA-N 1 1 445.636 4.901 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(F)ccc4c(Cl)ncnc43)C[C@H]21 ZINC001165025768 721831952 /nfs/dbraw/zinc/83/19/52/721831952.db2.gz NWPICWLYTIZXIS-QKYXUNIQSA-N 1 1 425.939 4.554 20 0 IJADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC[C@H](c5ccncc5)C4)c23)C1 ZINC001165040667 721928904 /nfs/dbraw/zinc/92/89/04/721928904.db2.gz ICLMQCKZBGTHHN-MJGOQNOKSA-N 1 1 433.625 4.801 20 0 IJADMO c1cc([C@@H]2CCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C2)ccn1 ZINC001165040958 721928943 /nfs/dbraw/zinc/92/89/43/721928943.db2.gz WIBJHGSRXDBBAS-LJQANCHMSA-N 1 1 433.625 4.945 20 0 IJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCCn3cnc(COc4cccnc4)c3C2)nc1 ZINC001164952176 721998202 /nfs/dbraw/zinc/99/82/02/721998202.db2.gz QAHFFUFEDXDWKK-DEOSSOPVSA-N 1 1 446.599 4.599 20 0 IJADMO c1sc2nc(C3CC3)nc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c2c1-c1ccccc1 ZINC001164967373 722076433 /nfs/dbraw/zinc/07/64/33/722076433.db2.gz BZNQNZCHUWXJAL-BGYRXZFFSA-N 1 1 432.593 4.535 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3c4ccccc4[C@@H](NC(=O)N(C)C)[C@@H]3C2)nc1 ZINC001164982252 722098231 /nfs/dbraw/zinc/09/82/31/722098231.db2.gz NAUFUUVKBAYWKQ-PMHJDTQVSA-N 1 1 447.627 4.565 20 0 IJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C[C@@H](OCC4CCCC4)CO3)C2)nc1 ZINC001164978973 722166284 /nfs/dbraw/zinc/16/62/84/722166284.db2.gz SOOJTPMVHPSZRK-DGWZTRNLSA-N 1 1 427.633 4.963 20 0 IJADMO COc1ccc(OC)c(-c2ccc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nn2)c1 ZINC001164998941 722210152 /nfs/dbraw/zinc/21/01/52/722210152.db2.gz YYMZSKJXTZPLDF-SANMLTNESA-N 1 1 448.542 4.545 20 0 IJADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4C[C@@H]5CC(F)(F)[C@H]5C4)c23)C1 ZINC001164410989 718870979 /nfs/dbraw/zinc/87/09/79/718870979.db2.gz KSGUJYKVMKHMNG-VYDXJSESSA-N 1 1 432.584 4.893 20 0 IJADMO c1sc2nc(C[NH+]3CCCCC3)nc(N3CC4(C3)CCCOC4)c2c1-c1ccccc1 ZINC001164414721 718882813 /nfs/dbraw/zinc/88/28/13/718882813.db2.gz WOAXXKVVBXGUKP-UHFFFAOYSA-N 1 1 434.609 4.961 20 0 IJADMO c1cc2c(nc(-c3ccccn3)nc2N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC001164629822 719106859 /nfs/dbraw/zinc/10/68/59/719106859.db2.gz TXAOMJANFWLTTB-DENIHFKCSA-N 1 1 427.577 4.854 20 0 IJADMO c1cc2c(nc(-c3ccncc3)nc2N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC001164626830 719106989 /nfs/dbraw/zinc/10/69/89/719106989.db2.gz IYYJIKBOBHYSRZ-UNMCSNQZSA-N 1 1 427.577 4.854 20 0 IJADMO c1cc2c(nc(-c3ccncc3)nc2N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC001164626827 719107494 /nfs/dbraw/zinc/10/74/94/719107494.db2.gz IYYJIKBOBHYSRZ-RBBKRZOGSA-N 1 1 427.577 4.854 20 0 IJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cccc3ccnc(Cl)c31)CC2 ZINC001164648223 719312280 /nfs/dbraw/zinc/31/22/80/719312280.db2.gz GOYGJDFAQQWLJZ-UHFFFAOYSA-N 1 1 433.934 4.835 20 0 IJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(-c3ccc(F)cc3)nc3ccccc31)CC2 ZINC001164653617 719315039 /nfs/dbraw/zinc/31/50/39/719315039.db2.gz YAGSMUNMJHLHGU-UHFFFAOYSA-N 1 1 444.558 4.838 20 0 IJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3nn(CC4CC4)cc3[C@@H](COCC)C2)nc1 ZINC001164665485 719364060 /nfs/dbraw/zinc/36/40/60/719364060.db2.gz XLTWJIGNHCHJQJ-RDGATRHJSA-N 1 1 437.632 4.765 20 0 IJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3nn(CC4CC4)cc3[C@H](COCC)C2)nc1 ZINC001164665483 719364243 /nfs/dbraw/zinc/36/42/43/719364243.db2.gz XLTWJIGNHCHJQJ-DHLKQENFSA-N 1 1 437.632 4.765 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nnc(Cl)cc2-c2ccncc2)CC3)cs1 ZINC001164694361 719805156 /nfs/dbraw/zinc/80/51/56/719805156.db2.gz XSSGXPBYPQJNEX-UHFFFAOYSA-N 1 1 441.004 4.592 20 0 IJADMO COc1ccc(C(F)(F)N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc1Cl ZINC001164692603 719810691 /nfs/dbraw/zinc/81/06/91/719810691.db2.gz KTODFXXSQLNCMA-UHFFFAOYSA-N 1 1 442.963 4.688 20 0 IJADMO COc1ccc(C(F)(F)N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)nc1Cl ZINC001164692603 719810692 /nfs/dbraw/zinc/81/06/92/719810692.db2.gz KTODFXXSQLNCMA-UHFFFAOYSA-N 1 1 442.963 4.688 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C)nc(-c4ccsc4)n2)CC3)cs1 ZINC001164693659 719814328 /nfs/dbraw/zinc/81/43/28/719814328.db2.gz XTCMVIYAABAWJN-UHFFFAOYSA-N 1 1 425.627 4.913 20 0 IJADMO Clc1cc2ncnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2cc1Cl ZINC001164696727 719896352 /nfs/dbraw/zinc/89/63/52/719896352.db2.gz IDHLXURWBXOOQZ-UHFFFAOYSA-N 1 1 449.407 4.870 20 0 IJADMO COc1cc2cnc(Cl)cc2cc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164707356 719909067 /nfs/dbraw/zinc/90/90/67/719909067.db2.gz QDZKHOBYKLQRQU-UHFFFAOYSA-N 1 1 444.000 4.830 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3scc(-c4ccc(C)cc4)c31)C2 ZINC001164808217 720103979 /nfs/dbraw/zinc/10/39/79/720103979.db2.gz DYPADUASCGFSNU-LVXARBLLSA-N 1 1 448.636 4.851 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccc(C)cc3)nc3ccccc31)C2 ZINC001164811039 720138582 /nfs/dbraw/zinc/13/85/82/720138582.db2.gz KPITYBNEKUKEQS-NEKDWFFYSA-N 1 1 442.607 4.790 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3sc(C)c(-c4ccccc4)c31)C2 ZINC001164815638 720170754 /nfs/dbraw/zinc/17/07/54/720170754.db2.gz IRKOUCJXFVQXCE-HFZDXXHNSA-N 1 1 448.636 4.851 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3Cl)nc(C)c1C)C2 ZINC001164815578 720184138 /nfs/dbraw/zinc/18/41/38/720184138.db2.gz IJRQEBZLTHTYSO-CPJSRVTESA-N 1 1 441.019 4.599 20 0 IJADMO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724501 720358758 /nfs/dbraw/zinc/35/87/58/720358758.db2.gz KKNCTJDQHUZYHK-RTWAWAEBSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724501 720358764 /nfs/dbraw/zinc/35/87/64/720358764.db2.gz KKNCTJDQHUZYHK-RTWAWAEBSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732375 720470524 /nfs/dbraw/zinc/47/05/24/720470524.db2.gz ZLZMHIQVDZTKIV-CABCVRRESA-N 1 1 432.824 4.547 20 0 IJADMO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732375 720470525 /nfs/dbraw/zinc/47/05/25/720470525.db2.gz ZLZMHIQVDZTKIV-CABCVRRESA-N 1 1 432.824 4.547 20 0 IJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H](O)[C@H]2Cc2ccccc2)n1 ZINC001164830279 720493881 /nfs/dbraw/zinc/49/38/81/720493881.db2.gz AARYLLODPGNWSA-YADHBBJMSA-N 1 1 444.604 4.602 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3c(Cl)cc(Cl)nc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164832381 720523001 /nfs/dbraw/zinc/52/30/01/720523001.db2.gz AKKGCTGSJYMCMF-IJEWVQPXSA-N 1 1 428.795 4.616 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3c(Cl)ccc4c(Cl)ncnc43)CC[C@@H]21 ZINC001164839128 720647825 /nfs/dbraw/zinc/64/78/25/720647825.db2.gz IROWWFKWAAXLRS-GJYPPUQNSA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)cc4cccc(F)c43)CC[C@@H]21 ZINC001164836932 720651899 /nfs/dbraw/zinc/65/18/99/720651899.db2.gz AGMHNKOVZSQODW-HBFSDRIKSA-N 1 1 427.955 4.602 20 0 IJADMO COc1ccc2nc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c(C)cc2c1 ZINC001164840511 720656626 /nfs/dbraw/zinc/65/66/26/720656626.db2.gz NBCAOVCMAJYXHR-HSZRJFAPSA-N 1 1 431.580 4.812 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1ccnc(Cl)c1F)CC2 ZINC001164840561 720664225 /nfs/dbraw/zinc/66/42/25/720664225.db2.gz NNWZAZLIEKORON-KRWDZBQOSA-N 1 1 439.909 4.679 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1ccc(F)c(Cl)n1)CC2 ZINC001164840490 720668560 /nfs/dbraw/zinc/66/85/60/720668560.db2.gz MUNLFEKMUOHYFH-KRWDZBQOSA-N 1 1 439.909 4.679 20 0 IJADMO COc1ccc2nc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)cc(C)c2c1 ZINC001164845320 720690805 /nfs/dbraw/zinc/69/08/05/720690805.db2.gz YDZCFXCDULHXOY-JOCHJYFZSA-N 1 1 431.580 4.812 20 0 IJADMO Cc1c(Cl)nc(C(C)C)nc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164837564 720724953 /nfs/dbraw/zinc/72/49/53/720724953.db2.gz DRDKLTMXQUINBR-HXUWFJFHSA-N 1 1 429.008 4.822 20 0 IJADMO CSc1ccc(C(F)(F)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)nc1Cl ZINC001164864144 720971861 /nfs/dbraw/zinc/97/18/61/720971861.db2.gz XVRLTBCBYYGTLT-ZDUSSCGKSA-N 1 1 429.968 4.620 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc(OCc3ccccc3)cc1Cl)[C@H]2C ZINC001164857245 720992714 /nfs/dbraw/zinc/99/27/14/720992714.db2.gz FENQMZPSDJNQHR-SFHVURJKSA-N 1 1 439.991 4.932 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccsc3)nc3ccccc31)[C@@H]2C ZINC001164858953 721004611 /nfs/dbraw/zinc/00/46/11/721004611.db2.gz JNVFMHXKOPHGIT-QGZVFWFLSA-N 1 1 432.597 4.976 20 0 IJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(COCc4ccccn4)cncc3C2)nc1 ZINC001164766119 721271543 /nfs/dbraw/zinc/27/15/43/721271543.db2.gz NFRVYBMALAWPRT-AREMUKBSSA-N 1 1 443.595 4.698 20 0 IJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)nc1 ZINC001164873712 721319144 /nfs/dbraw/zinc/31/91/44/721319144.db2.gz ALCDRYUDIGKQHK-RPWUZVMVSA-N 1 1 432.612 4.519 20 0 IJADMO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164782864 721399983 /nfs/dbraw/zinc/39/99/83/721399983.db2.gz GHTLDIZNEGUCLB-ROUUACIJSA-N 1 1 446.954 4.972 20 0 IJADMO Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164783665 721415338 /nfs/dbraw/zinc/41/53/38/721415338.db2.gz JGUBYNKUTYUXHU-HDICACEKSA-N 1 1 447.995 4.975 20 0 IJADMO Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164783665 721415343 /nfs/dbraw/zinc/41/53/43/721415343.db2.gz JGUBYNKUTYUXHU-HDICACEKSA-N 1 1 447.995 4.975 20 0 IJADMO Clc1ccc2nc(-c3ccccc3)nc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164790478 721415568 /nfs/dbraw/zinc/41/55/68/721415568.db2.gz XVBKGQCRBVEUSW-HDICACEKSA-N 1 1 447.995 4.975 20 0 IJADMO Clc1ccc2nc(-c3ccccc3)nc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164790478 721415572 /nfs/dbraw/zinc/41/55/72/721415572.db2.gz XVBKGQCRBVEUSW-HDICACEKSA-N 1 1 447.995 4.975 20 0 IJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)nc1 ZINC001164894481 721476278 /nfs/dbraw/zinc/47/62/78/721476278.db2.gz NBOYVMGUENXMME-IGKIAQTJSA-N 1 1 447.627 4.575 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cc(C3CC3)nnc1Cl)CC2 ZINC001164795148 721500629 /nfs/dbraw/zinc/50/06/29/721500629.db2.gz FHSJZZCDYOEZJG-UHFFFAOYSA-N 1 1 447.961 4.828 20 0 IJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(SCc3ccccc3)ccn2)[C@@H]2CCCO[C@H]12 ZINC001164799341 721582848 /nfs/dbraw/zinc/58/28/48/721582848.db2.gz AWGLHKLYSWBNGG-MZKUHISZSA-N 1 1 446.620 4.637 20 0 IJADMO Cc1sc2nc(C)nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1C ZINC001164907046 721702287 /nfs/dbraw/zinc/70/22/87/721702287.db2.gz QMXRJSXXEZMNBH-QFIPXVFZSA-N 1 1 443.567 4.749 20 0 IJADMO COc1ccc2nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)cc(C)c2c1 ZINC001164907406 721705440 /nfs/dbraw/zinc/70/54/40/721705440.db2.gz ROXMRUCKWYUILY-XMMPIXPASA-N 1 1 438.522 4.685 20 0 IJADMO CSc1nc2sccc2c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165024577 721802637 /nfs/dbraw/zinc/80/26/37/721802637.db2.gz MFCWPQBEIZJTQZ-ZYSHUDEJSA-N 1 1 425.627 4.545 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc(Cc4ccccc4)n3)C[C@H]21 ZINC001165029473 721808779 /nfs/dbraw/zinc/80/87/79/721808779.db2.gz ZEGRSASWXSKJDH-MDNUFGMLSA-N 1 1 448.014 4.853 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4cc(F)c(F)cc4nc3Cl)C[C@@H]21 ZINC001165026447 721809223 /nfs/dbraw/zinc/80/92/23/721809223.db2.gz QJHMHIXAAIRFQV-WDUKFBBWSA-N 1 1 443.929 4.693 20 0 IJADMO CSc1nc2ccsc2c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165022700 721809972 /nfs/dbraw/zinc/80/99/72/721809972.db2.gz GTSUHKQHJXBZMP-WDYCEAGBSA-N 1 1 425.627 4.545 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc(Oc4cccc(F)c4)n3)C[C@@H]21 ZINC001165027429 721820342 /nfs/dbraw/zinc/82/03/42/721820342.db2.gz URQWLQUTDARNFU-YFXJRYMSSA-N 1 1 433.531 4.540 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccnc(CSc4ccccc4)n3)C[C@H]21 ZINC001165021466 721830225 /nfs/dbraw/zinc/83/02/25/721830225.db2.gz FTGOBZAPXUNLTK-AGILITTLSA-N 1 1 445.636 4.901 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc(F)c(-c5ccsc5)n4)CC3)C2)cc1 ZINC001164939762 721932968 /nfs/dbraw/zinc/93/29/68/721932968.db2.gz AVUUVNRBKNPTHS-UHFFFAOYSA-N 1 1 438.572 4.524 20 0 IJADMO CSc1ccc2ncnc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c2c1 ZINC001164940866 721933058 /nfs/dbraw/zinc/93/30/58/721933058.db2.gz FJCQCWIYRBDVRO-UHFFFAOYSA-N 1 1 434.609 4.532 20 0 IJADMO FC(F)(c1cnc(Cl)c(Cl)c1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955377 722012523 /nfs/dbraw/zinc/01/25/23/722012523.db2.gz VEHXKBSWAMCKOI-UHFFFAOYSA-N 1 1 427.326 4.821 20 0 IJADMO Clc1ccc(Cl)c2nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc12 ZINC001164977864 722153625 /nfs/dbraw/zinc/15/36/25/722153625.db2.gz YYDVDEGACKODQX-DYESRHJHSA-N 1 1 443.378 4.664 20 0 IJADMO O=C(NC1CCCCC1)c1cccnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994158 722193267 /nfs/dbraw/zinc/19/32/67/722193267.db2.gz KXRFFDHCWXDUNS-SANMLTNESA-N 1 1 436.575 4.528 20 0 IJADMO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164996765 722202475 /nfs/dbraw/zinc/20/24/75/722202475.db2.gz WNRJARCWLFOSHY-DEOSSOPVSA-N 1 1 444.982 4.647 20 0 IJADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2ccc4ncnc(Cl)c4n2)C3)c1 ZINC001164996647 722203882 /nfs/dbraw/zinc/20/38/82/722203882.db2.gz USLCFWHFHIUDAZ-OAQYLSRUSA-N 1 1 447.892 4.607 20 0 IJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2ccc4ncnc(Cl)c4n2)C3)c1 ZINC001164996647 722203883 /nfs/dbraw/zinc/20/38/83/722203883.db2.gz USLCFWHFHIUDAZ-OAQYLSRUSA-N 1 1 447.892 4.607 20 0 IJADMO c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@]4(CCOC4)C3)c2c1-c1ccccc1 ZINC001164391528 718807914 /nfs/dbraw/zinc/80/79/14/718807914.db2.gz VBSBMYPHYDIYLH-VWLOTQADSA-N 1 1 434.609 4.961 20 0 IJADMO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164622545 719093102 /nfs/dbraw/zinc/09/31/02/719093102.db2.gz CBIDAYPVDRIUMW-JKSUJKDBSA-N 1 1 427.326 4.515 20 0 IJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nnc(Cc3ccccc3)c3ccccc31)CC2 ZINC001164651050 719314560 /nfs/dbraw/zinc/31/45/60/719314560.db2.gz HDDVNHQGQINQHG-UHFFFAOYSA-N 1 1 440.595 4.622 20 0 IJADMO Cc1nc(-c2ccccc2Cl)nc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1C ZINC001164652119 719316322 /nfs/dbraw/zinc/31/63/22/719316322.db2.gz NWELOEUESZBMSZ-UHFFFAOYSA-N 1 1 439.007 4.816 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc4cccc(F)c42)CC3)cs1 ZINC001164694119 719807447 /nfs/dbraw/zinc/80/74/47/719807447.db2.gz VDBXFXXSQWVZJF-UHFFFAOYSA-N 1 1 431.968 4.822 20 0 IJADMO COc1cccc2nc(Cl)nc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c21 ZINC001164694521 719809911 /nfs/dbraw/zinc/80/99/11/719809911.db2.gz ZIBHYOCNIKBYIX-UHFFFAOYSA-N 1 1 444.004 4.692 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(F)cc4ncnc(Cl)c42)CC3)cs1 ZINC001164691650 719812755 /nfs/dbraw/zinc/81/27/55/719812755.db2.gz IYJCYGYNCIBYRH-UHFFFAOYSA-N 1 1 431.968 4.822 20 0 IJADMO CCc1nc(Cl)c(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c(Cl)n1 ZINC001164693429 719814436 /nfs/dbraw/zinc/81/44/36/719814436.db2.gz UYRJLQGDJLKQHK-UHFFFAOYSA-N 1 1 426.417 4.746 20 0 IJADMO CC(C)c1cc2c(ncnc2N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)s1 ZINC001164701622 719886034 /nfs/dbraw/zinc/88/60/34/719886034.db2.gz NYEBWQJAXDHURL-UHFFFAOYSA-N 1 1 428.627 4.748 20 0 IJADMO FC(F)(c1ccnc(Cl)c1Cl)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696114 719887681 /nfs/dbraw/zinc/88/76/81/719887681.db2.gz XSDQAFBJNZLUKL-UHFFFAOYSA-N 1 1 448.366 4.866 20 0 IJADMO Clc1ccc(-c2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nn2)cc1 ZINC001164694697 719888496 /nfs/dbraw/zinc/88/84/96/719888496.db2.gz CJFXZOBOLLMXEA-UHFFFAOYSA-N 1 1 441.000 4.730 20 0 IJADMO Clc1cc(Cl)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(Cl)n1 ZINC001164694887 719888893 /nfs/dbraw/zinc/88/88/93/719888893.db2.gz GVRHHNDNIAUMKR-UHFFFAOYSA-N 1 1 432.804 4.975 20 0 IJADMO Clc1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(-c2ccccc2)nn1 ZINC001164698257 719892641 /nfs/dbraw/zinc/89/26/41/719892641.db2.gz QKGDPRIUWWKVBT-UHFFFAOYSA-N 1 1 441.000 4.730 20 0 IJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3cccc(Cl)c31)CC2 ZINC001164718647 720120644 /nfs/dbraw/zinc/12/06/44/720120644.db2.gz UILOXXLNAKHPDH-NRFANRHFSA-N 1 1 436.987 4.791 20 0 IJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3c(C)ccc(F)c3cc1C)CC2 ZINC001164716954 720126516 /nfs/dbraw/zinc/12/65/16/720126516.db2.gz MHSRBFXILVKQMB-JOCHJYFZSA-N 1 1 448.586 4.893 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cccc3ccnc(Cl)c31)C2 ZINC001164811091 720134496 /nfs/dbraw/zinc/13/44/96/720134496.db2.gz LIMBKKRJORUWTF-PGRDOPGGSA-N 1 1 435.946 4.618 20 0 IJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)c(Cl)cc1Cl)CC2 ZINC001164712610 720135025 /nfs/dbraw/zinc/13/50/25/720135025.db2.gz NSPMFPBKPMVYSI-SFHVURJKSA-N 1 1 435.399 4.599 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc3ccccc3nc1Cl)C2 ZINC001164811621 720141900 /nfs/dbraw/zinc/14/19/00/720141900.db2.gz MZNCHWFFQCRWFD-AVRDEDQJSA-N 1 1 435.946 4.618 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nnc(-c3ccc(F)cc3)c3ccccc31)C2 ZINC001164813714 720170912 /nfs/dbraw/zinc/17/09/12/720170912.db2.gz DRZRZGJHQPJRSA-ZBLYBZFDSA-N 1 1 446.570 4.621 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1c(C)c(Cl)nc3cc(F)cc(F)c31)C2 ZINC001164811371 720196432 /nfs/dbraw/zinc/19/64/32/720196432.db2.gz GSYIWXDZTIVGKS-WAIKUNEKSA-N 1 1 435.946 4.660 20 0 IJADMO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728576 720429687 /nfs/dbraw/zinc/42/96/87/720429687.db2.gz FSEKVGYRVMGRAW-LSDHHAIUSA-N 1 1 433.717 4.835 20 0 IJADMO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164728576 720429697 /nfs/dbraw/zinc/42/96/97/720429697.db2.gz FSEKVGYRVMGRAW-LSDHHAIUSA-N 1 1 433.717 4.835 20 0 IJADMO COc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@H]4CC[N@H+]5Cc4cccnc4)c23)cc1 ZINC001164731548 720435657 /nfs/dbraw/zinc/43/56/57/720435657.db2.gz LVKHGHYWUOVDIC-FGZHOGPDSA-N 1 1 443.576 4.615 20 0 IJADMO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727786 720446876 /nfs/dbraw/zinc/44/68/76/720446876.db2.gz FBRSDYWVFYDDMQ-ROUUACIJSA-N 1 1 447.942 4.652 20 0 IJADMO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164727786 720446881 /nfs/dbraw/zinc/44/68/81/720446881.db2.gz FBRSDYWVFYDDMQ-ROUUACIJSA-N 1 1 447.942 4.652 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cc4ccc(F)cc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164832334 720524214 /nfs/dbraw/zinc/52/42/14/720524214.db2.gz AAEVESFFTRPOCJ-HFSMHLIXSA-N 1 1 427.955 4.602 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4cc(Cl)c(Cl)cc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838447 720574756 /nfs/dbraw/zinc/57/47/56/720574756.db2.gz NWPOSHWPDGQHRU-CKJXQJPGSA-N 1 1 445.398 4.511 20 0 IJADMO COc1ccc2c(C)cc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nc2c1 ZINC001164843703 720699921 /nfs/dbraw/zinc/69/99/21/720699921.db2.gz QNNMNSXSKCEKJA-QFIPXVFZSA-N 1 1 431.580 4.812 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(F)cc3ncnc(Cl)c31)CC2 ZINC001164839345 720706897 /nfs/dbraw/zinc/70/68/97/720706897.db2.gz LJBFFBMNMUIDJC-LJQANCHMSA-N 1 1 440.950 4.682 20 0 IJADMO Cc1cc(-c2ccccc2F)nnc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842358 720726850 /nfs/dbraw/zinc/72/68/50/720726850.db2.gz YSOISZXHFUCEOY-JOCHJYFZSA-N 1 1 446.570 4.851 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1c(F)ccc3c(Cl)ncnc31)CC2 ZINC001164836712 720728851 /nfs/dbraw/zinc/72/88/51/720728851.db2.gz FHXZMEZWBIXHMU-GOSISDBHSA-N 1 1 440.950 4.682 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3[nH]c4cc(F)ccc4c31)CC2 ZINC001164838831 720729562 /nfs/dbraw/zinc/72/95/62/720729562.db2.gz YGANCHRUEHDMRN-FQEVSTJZSA-N 1 1 445.542 4.510 20 0 IJADMO Cc1cc2ccccc2nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747211 720880106 /nfs/dbraw/zinc/88/01/06/720880106.db2.gz ANLKROILCHSLBS-LSYYVWMOSA-N 1 1 442.607 4.693 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncnc3scc(-c4ccccc4)c31)[C@@H]2C ZINC001164861180 720942537 /nfs/dbraw/zinc/94/25/37/720942537.db2.gz SBCXYNUCJMXNGK-QGZVFWFLSA-N 1 1 432.597 4.976 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc3ccccc3nc1N1CCCC[C@H]1C)[C@@H]2C ZINC001164861849 721001551 /nfs/dbraw/zinc/00/15/51/721001551.db2.gz QYJBFTXRYBKKAU-WOJBJXKFSA-N 1 1 447.631 4.627 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(-c3cccc4ccccc43)nn1)[C@@H]2C ZINC001164861060 721010744 /nfs/dbraw/zinc/01/07/44/721010744.db2.gz NKZVTZLXVNMHAQ-LJQANCHMSA-N 1 1 426.568 4.915 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(-c3ccc(Cl)nn3)ccc1F)[C@@H]2C ZINC001164857275 721011040 /nfs/dbraw/zinc/01/10/40/721011040.db2.gz CCXGGLPDIKGGNN-OAHLLOKOSA-N 1 1 428.943 4.554 20 0 IJADMO Cc1ccc2nc(-c3ccccc3F)nc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164784087 721415452 /nfs/dbraw/zinc/41/54/52/721415452.db2.gz KKMYLUZGXNSFFW-HDICACEKSA-N 1 1 445.567 4.769 20 0 IJADMO Cc1ccc2nc(-c3ccccc3F)nc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164784087 721415455 /nfs/dbraw/zinc/41/54/55/721415455.db2.gz KKMYLUZGXNSFFW-HDICACEKSA-N 1 1 445.567 4.769 20 0 IJADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164790258 721417862 /nfs/dbraw/zinc/41/78/62/721417862.db2.gz WTHCJYTWTABFIA-STQMWFEESA-N 1 1 435.380 4.575 20 0 IJADMO COc1cc(C(F)(F)N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cc(Cl)n1 ZINC001164793216 721491472 /nfs/dbraw/zinc/49/14/72/721491472.db2.gz PUMDRNADYNDKMU-UHFFFAOYSA-N 1 1 436.934 4.565 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc3c(n1)-c1ccccc1CC3)CC2 ZINC001164796368 721498808 /nfs/dbraw/zinc/49/88/08/721498808.db2.gz RTGUVBFKFWBDDW-UHFFFAOYSA-N 1 1 425.580 4.518 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nnc(Cl)c3ccc(F)cc31)CC2 ZINC001164795473 721502066 /nfs/dbraw/zinc/50/20/66/721502066.db2.gz IEVAYEUMYPPACY-UHFFFAOYSA-N 1 1 425.939 4.698 20 0 IJADMO CC(C)c1cc2c(ncnc2N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)s1 ZINC001164905745 721583386 /nfs/dbraw/zinc/58/33/86/721583386.db2.gz VVSUNXPVPRLXQR-JOCHJYFZSA-N 1 1 443.567 4.947 20 0 IJADMO Fc1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cnc1Cl ZINC001164907894 721701435 /nfs/dbraw/zinc/70/14/35/721701435.db2.gz VWYDBIHMVWVOEV-GOSISDBHSA-N 1 1 446.851 4.552 20 0 IJADMO Cc1nc2c3ccccc3oc2c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165028874 721817576 /nfs/dbraw/zinc/81/75/76/721817576.db2.gz XVBQSURYRJNRCO-YUXAGFNASA-N 1 1 427.552 4.816 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4cccc(Cl)c4)ncn3)C[C@H]21 ZINC001165023215 721825574 /nfs/dbraw/zinc/82/55/74/721825574.db2.gz IIDQCTLXZWSEFL-BPUDTRNYSA-N 1 1 433.987 4.929 20 0 IJADMO Cc1ccc(C)c(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)c1 ZINC001165027872 721825881 /nfs/dbraw/zinc/82/58/81/721825881.db2.gz UQCGDONHMIHZTO-BBVWWWHTSA-N 1 1 427.596 4.892 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(Cl)nc3-c3ccccc3)C[C@H]21 ZINC001165019875 721826876 /nfs/dbraw/zinc/82/68/76/721826876.db2.gz CIFDZRNRDOJNRD-KSEOMHKRSA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc(SCc4ccccc4)n3)C[C@H]21 ZINC001165024063 721828749 /nfs/dbraw/zinc/82/87/49/721828749.db2.gz JOQLAUBSULIVHJ-GMKZXUHWSA-N 1 1 445.636 4.901 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)nc1 ZINC001164948316 721967968 /nfs/dbraw/zinc/96/79/68/721967968.db2.gz SYGSRHVIEGPIEW-STROYTFGSA-N 1 1 446.639 4.788 20 0 IJADMO Clc1ccc2c(Cl)ncnc2c1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164958769 722025129 /nfs/dbraw/zinc/02/51/29/722025129.db2.gz FWNOLSABLDUFSP-UHFFFAOYSA-N 1 1 428.367 4.824 20 0 IJADMO Cc1ccc2c(C)cc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc2c1C ZINC001164961503 722060388 /nfs/dbraw/zinc/06/03/88/722060388.db2.gz KZPJKSBQCDUCGB-UHFFFAOYSA-N 1 1 430.596 4.674 20 0 IJADMO Clc1ccc(Cl)c2nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)ccc12 ZINC001164977868 722153357 /nfs/dbraw/zinc/15/33/57/722153357.db2.gz YYDVDEGACKODQX-UTKZUKDTSA-N 1 1 443.378 4.664 20 0 IJADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)c2cc(Cl)nc(Cl)n2)C3)c1 ZINC001164995774 722192423 /nfs/dbraw/zinc/19/24/23/722192423.db2.gz XWIBNTRRTWTKCL-SFHVURJKSA-N 1 1 431.289 4.712 20 0 IJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)c2cc(Cl)nc(Cl)n2)C3)c1 ZINC001164995774 722192425 /nfs/dbraw/zinc/19/24/25/722192425.db2.gz XWIBNTRRTWTKCL-SFHVURJKSA-N 1 1 431.289 4.712 20 0 IJADMO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995987 722202319 /nfs/dbraw/zinc/20/23/19/722202319.db2.gz REQFNEHLBFNTFG-DEOSSOPVSA-N 1 1 444.982 4.647 20 0 IJADMO CC(C)(C)c1noc(-c2ccnc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2)n1 ZINC001164994408 722206761 /nfs/dbraw/zinc/20/67/61/722206761.db2.gz GFJJWCKJBPKZKA-VWLOTQADSA-N 1 1 435.547 4.813 20 0 IJADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)c2c4c(nnc2Cl)CCC4)C3)c1 ZINC001164993727 722208181 /nfs/dbraw/zinc/20/81/81/722208181.db2.gz AFWTXKUOKRYCCZ-NRFANRHFSA-N 1 1 436.909 4.548 20 0 IJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)c2c4c(nnc2Cl)CCC4)C3)c1 ZINC001164993727 722208186 /nfs/dbraw/zinc/20/81/86/722208186.db2.gz AFWTXKUOKRYCCZ-NRFANRHFSA-N 1 1 436.909 4.548 20 0 IJADMO CC[N@@H+]1CCC[C@@H]1CNCc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000022936014 557052550 /nfs/dbraw/zinc/05/25/50/557052550.db2.gz WPWCZTCPVJVLRR-LJQANCHMSA-N 1 1 433.390 4.611 20 0 IJADMO CC[N@H+]1CCC[C@@H]1CNCc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000022936014 557052553 /nfs/dbraw/zinc/05/25/53/557052553.db2.gz WPWCZTCPVJVLRR-LJQANCHMSA-N 1 1 433.390 4.611 20 0 IJADMO Fc1ccc(Oc2nc(Cl)nc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)n2)cc1 ZINC001164624396 719085943 /nfs/dbraw/zinc/08/59/43/719085943.db2.gz LWBDAZFFITVDDE-YLJYHZDGSA-N 1 1 439.922 4.557 20 0 IJADMO Cc1nc2cc(Cl)ccc2c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164671137 719508923 /nfs/dbraw/zinc/50/89/23/719508923.db2.gz BSKAMWNKPLWCNG-UHFFFAOYSA-N 1 1 440.950 4.602 20 0 IJADMO Cc1nc2cc(Cl)ccc2c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164671137 719508926 /nfs/dbraw/zinc/50/89/26/719508926.db2.gz BSKAMWNKPLWCNG-UHFFFAOYSA-N 1 1 440.950 4.602 20 0 IJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2ccc(F)c(Cl)n2)CC3)cs1 ZINC001164693437 719804676 /nfs/dbraw/zinc/80/46/76/719804676.db2.gz STONMOXKRZMHQQ-UHFFFAOYSA-N 1 1 430.927 4.819 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2ccc(F)c(Cl)n2)CC3)cs1 ZINC001164693437 719804677 /nfs/dbraw/zinc/80/46/77/719804677.db2.gz STONMOXKRZMHQQ-UHFFFAOYSA-N 1 1 430.927 4.819 20 0 IJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cc(C)cc(Cl)n2)CC3)cs1 ZINC001164693961 719810590 /nfs/dbraw/zinc/81/05/90/719810590.db2.gz SSQRXDYIBIGNNS-UHFFFAOYSA-N 1 1 426.964 4.988 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cc(C)cc(Cl)n2)CC3)cs1 ZINC001164693961 719810594 /nfs/dbraw/zinc/81/05/94/719810594.db2.gz SSQRXDYIBIGNNS-UHFFFAOYSA-N 1 1 426.964 4.988 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4sc5c(c42)CCC5)CC3)cs1 ZINC001164693662 719813494 /nfs/dbraw/zinc/81/34/94/719813494.db2.gz YARNFYYWNFDURN-UHFFFAOYSA-N 1 1 425.627 4.580 20 0 IJADMO Clc1cnc2cc(Cl)c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)cc2n1 ZINC001164695306 719891071 /nfs/dbraw/zinc/89/10/71/719891071.db2.gz MOKZMCFGIPBYIH-UHFFFAOYSA-N 1 1 449.407 4.870 20 0 IJADMO Cc1cccc2c(Cl)nnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c12 ZINC001164695686 719892018 /nfs/dbraw/zinc/89/20/18/719892018.db2.gz QWOYKGGOPRBFGD-UHFFFAOYSA-N 1 1 428.989 4.525 20 0 IJADMO c1csc(C[N@H+]2CCOC3(CCN(c4ncccc4OCc4ccccc4)CC3)C2)c1 ZINC001164696241 719897788 /nfs/dbraw/zinc/89/77/88/719897788.db2.gz DRFDOWDWHYLHAI-UHFFFAOYSA-N 1 1 435.593 4.594 20 0 IJADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696883 719897834 /nfs/dbraw/zinc/89/78/34/719897834.db2.gz IFCWPKJRPRKJEV-UHFFFAOYSA-N 1 1 435.037 4.669 20 0 IJADMO Cc1c(Cl)nc(CC(C)C)nc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164705880 719903484 /nfs/dbraw/zinc/90/34/84/719903484.db2.gz FALVWLWMSPRDRC-UHFFFAOYSA-N 1 1 435.037 4.570 20 0 IJADMO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164706281 719904861 /nfs/dbraw/zinc/90/48/61/719904861.db2.gz GYALXOJFCBHQQN-MRXNPFEDSA-N 1 1 435.037 4.885 20 0 IJADMO FC(F)(Sc1ccc(Cl)nc1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164707945 719906901 /nfs/dbraw/zinc/90/69/01/719906901.db2.gz ZYPSCBZMSNOBJA-UHFFFAOYSA-N 1 1 445.988 4.806 20 0 IJADMO Clc1nc(Cl)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(C2CC2)n1 ZINC001164705922 719908034 /nfs/dbraw/zinc/90/80/34/719908034.db2.gz FVKQKEIFALIMIK-UHFFFAOYSA-N 1 1 439.412 4.594 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cccc3ccnc(Cl)c31)C2 ZINC001164811090 720133285 /nfs/dbraw/zinc/13/32/85/720133285.db2.gz LIMBKKRJORUWTF-GCJKJVERSA-N 1 1 435.946 4.618 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cccc3c(Cl)nccc31)C2 ZINC001164814996 720148239 /nfs/dbraw/zinc/14/82/39/720148239.db2.gz VCOBWIJZEMYIJA-VGSWGCGISA-N 1 1 435.946 4.618 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1c(C)c(Cl)nc3cc(F)cc(F)c31)C2 ZINC001164811365 720196563 /nfs/dbraw/zinc/19/65/63/720196563.db2.gz GSYIWXDZTIVGKS-HJPURHCSSA-N 1 1 435.946 4.660 20 0 IJADMO Clc1cc2nc(Cl)c(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2cc1Cl ZINC001164721327 720359747 /nfs/dbraw/zinc/35/97/47/720359747.db2.gz BSWFRBRDBJPCOX-QZTJIDSGSA-N 1 1 434.758 4.838 20 0 IJADMO Clc1cc2nc(Cl)c(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc2cc1Cl ZINC001164721327 720359752 /nfs/dbraw/zinc/35/97/52/720359752.db2.gz BSWFRBRDBJPCOX-QZTJIDSGSA-N 1 1 434.758 4.838 20 0 IJADMO COc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)c23)cc1 ZINC001164731551 720435426 /nfs/dbraw/zinc/43/54/26/720435426.db2.gz LVKHGHYWUOVDIC-YADHBBJMSA-N 1 1 443.576 4.615 20 0 IJADMO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164732900 720439850 /nfs/dbraw/zinc/43/98/50/720439850.db2.gz OUMVLVVRGJKLDL-OALUTQOASA-N 1 1 433.606 4.976 20 0 IJADMO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726771 720476792 /nfs/dbraw/zinc/47/67/92/720476792.db2.gz LXGTYVJMLXNEGV-WOJBJXKFSA-N 1 1 435.959 4.733 20 0 IJADMO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164731980 720477116 /nfs/dbraw/zinc/47/71/16/720477116.db2.gz YHFWMMAPLYIELN-RTWAWAEBSA-N 1 1 435.959 4.733 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)ncc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840032 720511919 /nfs/dbraw/zinc/51/19/19/720511919.db2.gz VZGLSYIRJVINIY-RVKKMQEKSA-N 1 1 444.357 4.508 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(Cl)nc4c(F)ccc(F)c34)CC[C@@H]21 ZINC001164842721 720647924 /nfs/dbraw/zinc/64/79/24/720647924.db2.gz UALBRWFLLOQCMX-BXWFABGCSA-N 1 1 445.945 4.741 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1ccn3C1CCCC1)CC2 ZINC001164844544 720694761 /nfs/dbraw/zinc/69/47/61/720694761.db2.gz TYRPTOVPJRYNAX-HSZRJFAPSA-N 1 1 445.611 4.806 20 0 IJADMO CC(C)c1noc(-c2ccnc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2)n1 ZINC001164841723 720720746 /nfs/dbraw/zinc/72/07/46/720720746.db2.gz WFPMZZCRMPRGGU-JOCHJYFZSA-N 1 1 447.583 4.515 20 0 IJADMO Cc1c(Cl)nc(C(C)C)nc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164837562 720724148 /nfs/dbraw/zinc/72/41/48/720724148.db2.gz DRDKLTMXQUINBR-FQEVSTJZSA-N 1 1 429.008 4.822 20 0 IJADMO Cc1cc(-c2cccc(F)c2)nnc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840305 720726343 /nfs/dbraw/zinc/72/63/43/720726343.db2.gz OUIPJUOHNYVUTK-XMMPIXPASA-N 1 1 446.570 4.851 20 0 IJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)nc1 ZINC001164847600 720808464 /nfs/dbraw/zinc/80/84/64/720808464.db2.gz BBZCCJLHAKQBIU-LBNVMWSVSA-N 1 1 446.639 4.956 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)nc1 ZINC001164847601 720808757 /nfs/dbraw/zinc/80/87/57/720808757.db2.gz BBZCCJLHAKQBIU-LEAFIULHSA-N 1 1 446.639 4.956 20 0 IJADMO Cc1cccc2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc12 ZINC001164753392 720868954 /nfs/dbraw/zinc/86/89/54/720868954.db2.gz PGXQYSSIJUBBHP-LBNVMWSVSA-N 1 1 442.607 4.693 20 0 IJADMO Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2ccccc12 ZINC001164755966 720887723 /nfs/dbraw/zinc/88/77/23/720887723.db2.gz NUNCSUUQMAWVOQ-YWEHKCAJSA-N 1 1 442.607 4.693 20 0 IJADMO Cc1cc(Cl)c(C)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164758744 720894010 /nfs/dbraw/zinc/89/40/10/720894010.db2.gz ZAQUZXSWFZAOJX-DHLKQENFSA-N 1 1 441.019 4.502 20 0 IJADMO Cc1cc(Cl)c(C)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758831 720897401 /nfs/dbraw/zinc/89/74/01/720897401.db2.gz ZSTWLMDBAXICQK-RCZVLFRGSA-N 1 1 441.019 4.502 20 0 IJADMO Cc1cc2ccccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754990 720897805 /nfs/dbraw/zinc/89/78/05/720897805.db2.gz KCBDQZBLSJWPMC-LSYYVWMOSA-N 1 1 442.607 4.693 20 0 IJADMO Fc1ccc2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164749183 720912161 /nfs/dbraw/zinc/91/21/61/720912161.db2.gz IFYCPUCDQAHCGI-HOFKKMOUSA-N 1 1 446.570 4.524 20 0 IJADMO CCc1cc2c(ccnc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)o1 ZINC001164754662 720936084 /nfs/dbraw/zinc/93/60/84/720936084.db2.gz WVDTVNZRTWVTRF-WXVAWEFUSA-N 1 1 446.595 4.540 20 0 IJADMO CC(C)(C)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164753243 720937733 /nfs/dbraw/zinc/93/77/33/720937733.db2.gz REDWDXQKCTYAOD-SQHAQQRYSA-N 1 1 434.628 4.529 20 0 IJADMO CC(C)(C)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164753238 720938510 /nfs/dbraw/zinc/93/85/10/720938510.db2.gz REDWDXQKCTYAOD-RPLLCQBOSA-N 1 1 434.628 4.529 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc3ccsc3c(Cl)n1)[C@@H]2C ZINC001164862693 720939109 /nfs/dbraw/zinc/93/91/09/720939109.db2.gz XCDKQSVIWOMTMG-GFCCVEGCSA-N 1 1 440.951 4.508 20 0 IJADMO CSc1cnc(Cl)c(C(F)(F)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c1 ZINC001164860489 720997527 /nfs/dbraw/zinc/99/75/27/720997527.db2.gz OLKWFKWRYAAZQL-CYBMUJFWSA-N 1 1 429.968 4.620 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cnc(Cl)nc1Oc1ccccc1F)[C@@H]2C ZINC001164864701 721018341 /nfs/dbraw/zinc/01/83/41/721018341.db2.gz YZNFBDBKQYZXLL-OAHLLOKOSA-N 1 1 444.942 4.679 20 0 IJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C)c4cccc(C)c4n3)C2)C1 ZINC001164776430 721335469 /nfs/dbraw/zinc/33/54/69/721335469.db2.gz FJGVIKIQIUGCSO-AREMUKBSSA-N 1 1 434.584 4.575 20 0 IJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4ccsc43)C2)C1 ZINC001164776755 721344936 /nfs/dbraw/zinc/34/49/36/721344936.db2.gz CRCCAJWEOIURJR-QFIPXVFZSA-N 1 1 447.004 4.674 20 0 IJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4sccc43)C2)C1 ZINC001164777292 721345025 /nfs/dbraw/zinc/34/50/25/721345025.db2.gz FPIVARJJCKLPTQ-QFIPXVFZSA-N 1 1 447.004 4.674 20 0 IJADMO Cc1nc2scc(-c3cccs3)c2c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164782724 721426542 /nfs/dbraw/zinc/42/65/42/721426542.db2.gz HQKURPCXQORHTB-GASCZTMLSA-N 1 1 439.635 4.753 20 0 IJADMO Cc1nc2scc(-c3cccs3)c2c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164782724 721426545 /nfs/dbraw/zinc/42/65/45/721426545.db2.gz HQKURPCXQORHTB-GASCZTMLSA-N 1 1 439.635 4.753 20 0 IJADMO c1csc(C[NH+]2C[C@@H]3CN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)C[C@H]3C2)n1 ZINC001164785636 721431452 /nfs/dbraw/zinc/43/14/52/721431452.db2.gz NUXNVWPRHSZWPT-DHIUTWEWSA-N 1 1 439.588 4.835 20 0 IJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc3ccccc31)CC2 ZINC001164786469 721448457 /nfs/dbraw/zinc/44/84/57/721448457.db2.gz MQFNEBJDEZLONW-HXUWFJFHSA-N 1 1 444.019 4.622 20 0 IJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nc3ccccc31)CC2 ZINC001164786463 721448466 /nfs/dbraw/zinc/44/84/66/721448466.db2.gz MQFNEBJDEZLONW-FQEVSTJZSA-N 1 1 444.019 4.622 20 0 IJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3cccc(Cl)c3n1)CC2 ZINC001164786653 721456112 /nfs/dbraw/zinc/45/61/12/721456112.db2.gz OXDYBXQCBWKWBA-NRFANRHFSA-N 1 1 444.019 4.622 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccnc1C1SCCCS1)CC2 ZINC001164792582 721493124 /nfs/dbraw/zinc/49/31/24/721493124.db2.gz RQUPGLUETGOPOD-UHFFFAOYSA-N 1 1 441.670 4.621 20 0 IJADMO Cc1cncc(COC[C@@]23CCC[C@H]2CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C3)c1 ZINC001164802935 721601074 /nfs/dbraw/zinc/60/10/74/721601074.db2.gz UFNJBMNUIQFORA-DHLKQENFSA-N 1 1 441.019 4.858 20 0 IJADMO CSc1nc2ccsc2c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904836 721700284 /nfs/dbraw/zinc/70/02/84/721700284.db2.gz GVYCATQPQOHSBI-FQEVSTJZSA-N 1 1 447.580 4.546 20 0 IJADMO Cc1sc2nc(C)nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1C ZINC001164907044 721703181 /nfs/dbraw/zinc/70/31/81/721703181.db2.gz QMXRJSXXEZMNBH-JOCHJYFZSA-N 1 1 443.567 4.749 20 0 IJADMO Cc1ccc2c(c1)nc(Cl)nc2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905587 721704978 /nfs/dbraw/zinc/70/49/78/721704978.db2.gz HVCTZYRBFFFSNZ-JOCHJYFZSA-N 1 1 443.929 4.724 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1ccc(F)c(Cl)n1)C2 ZINC001164908002 721747421 /nfs/dbraw/zinc/74/74/21/721747421.db2.gz FYYFDCGRWXVKHO-UHFFFAOYSA-N 1 1 436.865 4.602 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1ccc(F)c(Cl)n1)C2 ZINC001164908002 721747423 /nfs/dbraw/zinc/74/74/23/721747423.db2.gz FYYFDCGRWXVKHO-UHFFFAOYSA-N 1 1 436.865 4.602 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1csc3ncnc(Cl)c13)C2 ZINC001164908433 721752608 /nfs/dbraw/zinc/75/26/08/721752608.db2.gz JATXYXDFJMLYOM-UHFFFAOYSA-N 1 1 425.945 4.527 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1csc3ncnc(Cl)c13)C2 ZINC001164908433 721752611 /nfs/dbraw/zinc/75/26/11/721752611.db2.gz JATXYXDFJMLYOM-UHFFFAOYSA-N 1 1 425.945 4.527 20 0 IJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)nc1 ZINC001164912280 721764737 /nfs/dbraw/zinc/76/47/37/721764737.db2.gz XIZQFCKOVOVFTD-AREMUKBSSA-N 1 1 445.611 4.811 20 0 IJADMO CSc1nc2sccc2c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165024574 721802757 /nfs/dbraw/zinc/80/27/57/721802757.db2.gz MFCWPQBEIZJTQZ-SNRMKQJTSA-N 1 1 425.627 4.545 20 0 IJADMO CCOC(=O)c1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc2ccccc21 ZINC001165029423 721811040 /nfs/dbraw/zinc/81/10/40/721811040.db2.gz YYDNBOULWMIOML-CYSDGLOUSA-N 1 1 444.579 4.543 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc(-c4c[nH]c5ccccc45)n3)C[C@H]21 ZINC001165027647 721811267 /nfs/dbraw/zinc/81/12/67/721811267.db2.gz VKGASJOYWOVLRC-RQADYFSKSA-N 1 1 438.579 4.757 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ncc3-c3ccccc3)C[C@H]21 ZINC001165024731 721813225 /nfs/dbraw/zinc/81/32/25/721813225.db2.gz KKCSJGDAUQWEJX-UEVCKROQSA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3ccn4C3CCCC3)C[C@@H]21 ZINC001165022691 721814330 /nfs/dbraw/zinc/81/43/30/721814330.db2.gz GRXCKZBFPYKJAQ-VEXUSMLFSA-N 1 1 430.600 4.678 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccccc4Cl)nn3)C[C@@H]21 ZINC001165024103 721818133 /nfs/dbraw/zinc/81/81/33/721818133.db2.gz IRYUPQDLPPLIQQ-NSXLHWASSA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cncc(Oc4cccc(F)c4)n3)C[C@H]21 ZINC001165023534 721818997 /nfs/dbraw/zinc/81/89/97/721818997.db2.gz HQCNHWHTDUVSSD-CDNPAEQRSA-N 1 1 433.531 4.540 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(C4CC4)nnc3Cl)C[C@@H]21 ZINC001165028982 721824723 /nfs/dbraw/zinc/82/47/23/721824723.db2.gz WCVLGXZKWNEUHZ-DJPFJPOOSA-N 1 1 447.961 4.684 20 0 IJADMO CCOc1ccc(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nn2)cc1 ZINC001165024050 721827280 /nfs/dbraw/zinc/82/72/80/721827280.db2.gz JLBLAMBBSKIHHU-PMWMKWCKSA-N 1 1 443.595 4.674 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C[C@H]21 ZINC001165027377 721831385 /nfs/dbraw/zinc/83/13/85/721831385.db2.gz RZTUSYPYFJVZDQ-IOMROCGXSA-N 1 1 446.973 4.987 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)C[C@H]21 ZINC001165030193 721831923 /nfs/dbraw/zinc/83/19/23/721831923.db2.gz YRNYCDLCJKGYCD-IOMROCGXSA-N 1 1 446.973 4.987 20 0 IJADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2ccc(F)c(Cl)n2)CC1 ZINC001165023364 721838726 /nfs/dbraw/zinc/83/87/26/721838726.db2.gz VSZZDDANMSAHJZ-UHFFFAOYSA-N 1 1 443.897 4.537 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4cc(C)cc(Cl)n4)CC3)C2)cc1 ZINC001164940690 721927366 /nfs/dbraw/zinc/92/73/66/721927366.db2.gz XBZYMQKZMFJGBV-UHFFFAOYSA-N 1 1 435.946 4.768 20 0 IJADMO Cc1cccc(Sc2cncc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n2)c1 ZINC001164956233 722020678 /nfs/dbraw/zinc/02/06/78/722020678.db2.gz ZLCWSQHSBKZAOH-UHFFFAOYSA-N 1 1 431.609 4.824 20 0 IJADMO Fc1ccc2nc(C(F)F)nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164961388 722024081 /nfs/dbraw/zinc/02/40/81/722024081.db2.gz NOAGOSWGXUMJHF-UHFFFAOYSA-N 1 1 427.474 4.594 20 0 IJADMO Fc1cc2ccc(Cl)nc2c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001164963115 722056404 /nfs/dbraw/zinc/05/64/04/722056404.db2.gz HIAJODFHEMJTNZ-UHFFFAOYSA-N 1 1 440.950 4.541 20 0 IJADMO COCc1cc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(-c2ccccc2)n1 ZINC001164994202 722192872 /nfs/dbraw/zinc/19/28/72/722192872.db2.gz LRYQPWLUDLGXHQ-SANMLTNESA-N 1 1 432.543 4.674 20 0 IJADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2cnc4c(Cl)ncnc4c2)C3)c1 ZINC001164993844 722205628 /nfs/dbraw/zinc/20/56/28/722205628.db2.gz CFBFNKWGKUCAES-OAQYLSRUSA-N 1 1 447.892 4.607 20 0 IJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2cnc4c(Cl)ncnc4c2)C3)c1 ZINC001164993844 722205630 /nfs/dbraw/zinc/20/56/30/722205630.db2.gz CFBFNKWGKUCAES-OAQYLSRUSA-N 1 1 447.892 4.607 20 0 IJADMO c1cc2c(nc(-c3ccncc3)nc2N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC001164626820 719107112 /nfs/dbraw/zinc/10/71/12/719107112.db2.gz IYYJIKBOBHYSRZ-IFMALSPDSA-N 1 1 427.577 4.854 20 0 IJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(C(F)F)nc3ccc(Cl)cc31)CC2 ZINC001164651349 719317090 /nfs/dbraw/zinc/31/70/90/719317090.db2.gz JIUFCLGPGCGYST-UHFFFAOYSA-N 1 1 434.922 4.623 20 0 IJADMO Cc1cccc(Oc2nc(Cl)ncc2N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1 ZINC001164649269 719317312 /nfs/dbraw/zinc/31/73/12/719317312.db2.gz BOJFXGWDVJXHOU-UHFFFAOYSA-N 1 1 440.979 4.632 20 0 IJADMO CC(C)c1ccc2ncnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c2c1 ZINC001164671672 719522770 /nfs/dbraw/zinc/52/27/70/719522770.db2.gz GZQDVCSEIVKJIP-UHFFFAOYSA-N 1 1 434.559 4.764 20 0 IJADMO CC(C)c1ccc2ncnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c2c1 ZINC001164671672 719522782 /nfs/dbraw/zinc/52/27/82/719522782.db2.gz GZQDVCSEIVKJIP-UHFFFAOYSA-N 1 1 434.559 4.764 20 0 IJADMO COc1cc(C(F)(F)N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)cc(Cl)n1 ZINC001164692223 719804502 /nfs/dbraw/zinc/80/45/02/719804502.db2.gz LSFUPISHVKGHSW-UHFFFAOYSA-N 1 1 442.963 4.688 20 0 IJADMO COc1cc(C(F)(F)N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)cc(Cl)n1 ZINC001164692223 719804503 /nfs/dbraw/zinc/80/45/03/719804503.db2.gz LSFUPISHVKGHSW-UHFFFAOYSA-N 1 1 442.963 4.688 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc4cc(F)c(F)cc4nc2Cl)CC3)cs1 ZINC001164692773 719807113 /nfs/dbraw/zinc/80/71/13/719807113.db2.gz MLVUFYGEIDYCPI-UHFFFAOYSA-N 1 1 449.958 4.961 20 0 IJADMO COc1ccc2nc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c(Cl)nc2c1 ZINC001164692465 719807392 /nfs/dbraw/zinc/80/73/92/719807392.db2.gz HTNZVNARVNIKFW-UHFFFAOYSA-N 1 1 444.004 4.692 20 0 IJADMO Cc1cc2c(nc(Cl)nc2N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)s1 ZINC001164696142 719889896 /nfs/dbraw/zinc/88/98/96/719889896.db2.gz ZHFLCZIYQPEUKC-UHFFFAOYSA-N 1 1 435.018 4.586 20 0 IJADMO FC(F)(c1ccc(Cl)c(Cl)n1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164695015 719892322 /nfs/dbraw/zinc/89/23/22/719892322.db2.gz JEICJCXDYZDPRE-UHFFFAOYSA-N 1 1 448.366 4.866 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc3ccccc3nc1Cl)C2 ZINC001164811622 720141459 /nfs/dbraw/zinc/14/14/59/720141459.db2.gz MZNCHWFFQCRWFD-GCJKJVERSA-N 1 1 435.946 4.618 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nnc(-c3ccc(C)cc3)c3ccccc31)C2 ZINC001164813634 720163430 /nfs/dbraw/zinc/16/34/30/720163430.db2.gz CWIHYIQDHZKGLZ-LXFBAYGMSA-N 1 1 442.607 4.790 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3sc(C)c(-c4ccccc4)c31)C2 ZINC001164815640 720170335 /nfs/dbraw/zinc/17/03/35/720170335.db2.gz IRKOUCJXFVQXCE-LVXARBLLSA-N 1 1 448.636 4.851 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccsc3)nc3ccccc31)C2 ZINC001164819405 720171497 /nfs/dbraw/zinc/17/14/97/720171497.db2.gz WUHUFQLPSFKPEP-NLFFAJNJSA-N 1 1 434.609 4.543 20 0 IJADMO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164726561 720399355 /nfs/dbraw/zinc/39/93/55/720399355.db2.gz POPGBFZQGJYNAQ-JWQCQUIFSA-N 1 1 439.538 4.993 20 0 IJADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723428 720408112 /nfs/dbraw/zinc/40/81/12/720408112.db2.gz GKWHSAVREDLOCK-ZWKOTPCHSA-N 1 1 429.351 4.798 20 0 IJADMO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164732880 720440113 /nfs/dbraw/zinc/44/01/13/720440113.db2.gz OUMVLVVRGJKLDL-MOPGFXCFSA-N 1 1 433.606 4.976 20 0 IJADMO Clc1cccc(-c2nc3c(c(N4CC[C@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)n2)CCCC3)c1 ZINC001164725837 720463109 /nfs/dbraw/zinc/46/31/09/720463109.db2.gz BDMNUZQCPHLWBI-ZEQRLZLVSA-N 1 1 445.998 4.924 20 0 IJADMO Fc1ccc(-c2nc(Cl)cc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)cc1Cl ZINC001164724427 720472141 /nfs/dbraw/zinc/47/21/41/720472141.db2.gz GGPXPTPQUCUZHE-OALUTQOASA-N 1 1 444.341 4.838 20 0 IJADMO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726765 720476606 /nfs/dbraw/zinc/47/66/06/720476606.db2.gz LXGTYVJMLXNEGV-PMACEKPBSA-N 1 1 435.959 4.733 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)cc4ccc(F)cc43)CC[C@@H]21 ZINC001164832333 720524264 /nfs/dbraw/zinc/52/42/64/720524264.db2.gz AAEVESFFTRPOCJ-CUWPLCDZSA-N 1 1 427.955 4.602 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(-c4ccccc4)cc(Cl)n3)CC[C@@H]21 ZINC001164834997 720542688 /nfs/dbraw/zinc/54/26/88/720542688.db2.gz GNGBMXNGWNLCDN-VJBWXMMDSA-N 1 1 436.003 4.976 20 0 IJADMO CCc1c(Cl)nnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1CC ZINC001164843337 720691881 /nfs/dbraw/zinc/69/18/81/720691881.db2.gz ODVYPKAISDBMHB-LJQANCHMSA-N 1 1 429.008 4.515 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(-c3ccc(F)cc3)ncn1)CC2 ZINC001164838881 720715482 /nfs/dbraw/zinc/71/54/82/720715482.db2.gz JLDVDPCHFAHIKK-QHCPKHFHSA-N 1 1 432.543 4.543 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(-c3ccc(F)cc3)nn1)CC2 ZINC001164837678 720716542 /nfs/dbraw/zinc/71/65/42/720716542.db2.gz GGZYRQZJFFMKIT-QHCPKHFHSA-N 1 1 432.543 4.543 20 0 IJADMO Cc1ccc2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164758110 720888819 /nfs/dbraw/zinc/88/88/19/720888819.db2.gz WXSGUBUYGANYQE-LEAFIULHSA-N 1 1 442.607 4.693 20 0 IJADMO Cc1nc(Cl)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C ZINC001164752641 720893167 /nfs/dbraw/zinc/89/31/67/720893167.db2.gz FNUPUFYEYSJQMC-WIOPSUGQSA-N 1 1 441.019 4.502 20 0 IJADMO CCc1cc2c(ccnc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)o1 ZINC001164754661 720935114 /nfs/dbraw/zinc/93/51/14/720935114.db2.gz WVDTVNZRTWVTRF-CUNXSJBXSA-N 1 1 446.595 4.540 20 0 IJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3c(COCc4ccccn4)cncc3C2)nc1 ZINC001164766121 721271601 /nfs/dbraw/zinc/27/16/01/721271601.db2.gz NFRVYBMALAWPRT-SANMLTNESA-N 1 1 443.595 4.698 20 0 IJADMO Clc1ccc(-c2nc3ccccc3c(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)n2)cc1 ZINC001164783980 721408844 /nfs/dbraw/zinc/40/88/44/721408844.db2.gz JQNLQOVLNUEXLU-HDICACEKSA-N 1 1 447.995 4.975 20 0 IJADMO Clc1ccc(-c2nc3ccccc3c(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)n2)cc1 ZINC001164783980 721408847 /nfs/dbraw/zinc/40/88/47/721408847.db2.gz JQNLQOVLNUEXLU-HDICACEKSA-N 1 1 447.995 4.975 20 0 IJADMO Cc1sc2ncnc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2c1-c1ccccc1 ZINC001164785432 721426674 /nfs/dbraw/zinc/42/66/74/721426674.db2.gz MYTVVPXYQXLLMY-QZTJIDSGSA-N 1 1 433.606 4.691 20 0 IJADMO c1csc(-c2nc(-c3ccccc3)cc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)n2)c1 ZINC001164788031 721430501 /nfs/dbraw/zinc/43/05/01/721430501.db2.gz RTNSMXKFZWYZJB-KDURUIRLSA-N 1 1 445.617 4.897 20 0 IJADMO c1csc(-c2nc(-c3ccccc3)cc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)n2)c1 ZINC001164788031 721430502 /nfs/dbraw/zinc/43/05/02/721430502.db2.gz RTNSMXKFZWYZJB-KDURUIRLSA-N 1 1 445.617 4.897 20 0 IJADMO Clc1cccc(Oc2nc(Cl)ncc2N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164780780 721436879 /nfs/dbraw/zinc/43/68/79/721436879.db2.gz ABIAWJXRQFJHFU-ZIAGYGMSSA-N 1 1 448.379 4.600 20 0 IJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3cc(Cl)ccc3n1)CC2 ZINC001164790288 721452535 /nfs/dbraw/zinc/45/25/35/721452535.db2.gz XVFQOUQMKHGLNY-QFIPXVFZSA-N 1 1 444.019 4.622 20 0 IJADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(C(F)F)nc5ccc(Cl)cc54)CC[N@H+]3C2)c1 ZINC001164906421 721563316 /nfs/dbraw/zinc/56/33/16/721563316.db2.gz IYQAPAKZISMKMN-NVXWUHKLSA-N 1 1 448.876 4.702 20 0 IJADMO Cc1cc2c(nc(Cl)nc2N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)s1 ZINC001164907424 721697244 /nfs/dbraw/zinc/69/72/44/721697244.db2.gz SLHKPWVIMBMUND-FQEVSTJZSA-N 1 1 449.958 4.786 20 0 IJADMO Cc1nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)cc1Cl ZINC001164908561 721719465 /nfs/dbraw/zinc/71/94/65/721719465.db2.gz XZNXVSJJJXDITA-IBGZPJMESA-N 1 1 427.326 4.830 20 0 IJADMO CSc1nc2ccccc2c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164910173 721756103 /nfs/dbraw/zinc/75/61/03/721756103.db2.gz PIBGMEDYXRHSQC-UHFFFAOYSA-N 1 1 431.565 4.534 20 0 IJADMO CSc1nc2ccccc2c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164910173 721756107 /nfs/dbraw/zinc/75/61/07/721756107.db2.gz PIBGMEDYXRHSQC-UHFFFAOYSA-N 1 1 431.565 4.534 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(NC(=O)OC(C)(C)C)cn1)C2 ZINC001164910476 721759610 /nfs/dbraw/zinc/75/96/10/721759610.db2.gz GFYDFIPAXCMVBI-UHFFFAOYSA-N 1 1 449.555 4.611 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(NC(=O)OC(C)(C)C)cn1)C2 ZINC001164910476 721759615 /nfs/dbraw/zinc/75/96/15/721759615.db2.gz GFYDFIPAXCMVBI-UHFFFAOYSA-N 1 1 449.555 4.611 20 0 IJADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164912521 721760944 /nfs/dbraw/zinc/76/09/44/721760944.db2.gz YPHLOUOMBWQOES-UHFFFAOYSA-N 1 1 439.991 4.919 20 0 IJADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164912521 721760951 /nfs/dbraw/zinc/76/09/51/721760951.db2.gz YPHLOUOMBWQOES-UHFFFAOYSA-N 1 1 439.991 4.919 20 0 IJADMO Cc1cnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc1-c1ccccc1F ZINC001164911106 721765290 /nfs/dbraw/zinc/76/52/90/721765290.db2.gz MQGWZACBGCZVJZ-UHFFFAOYSA-N 1 1 443.526 4.774 20 0 IJADMO Cc1cnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc1-c1ccccc1F ZINC001164911106 721765296 /nfs/dbraw/zinc/76/52/96/721765296.db2.gz MQGWZACBGCZVJZ-UHFFFAOYSA-N 1 1 443.526 4.774 20 0 IJADMO CSc1nc2ccsc2c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165022698 721810094 /nfs/dbraw/zinc/81/00/94/721810094.db2.gz GTSUHKQHJXBZMP-VDZJLULYSA-N 1 1 425.627 4.545 20 0 IJADMO Cc1nc2c3ccccc3oc2c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165028854 721817379 /nfs/dbraw/zinc/81/73/79/721817379.db2.gz XVBQSURYRJNRCO-BWAGFHJFSA-N 1 1 427.552 4.816 20 0 IJADMO Cc1nc2c3ccccc3oc2c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165028870 721817749 /nfs/dbraw/zinc/81/77/49/721817749.db2.gz XVBQSURYRJNRCO-VLCRHTCISA-N 1 1 427.552 4.816 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc(Oc4cccc(F)c4)n3)C[C@H]21 ZINC001165027424 721820338 /nfs/dbraw/zinc/82/03/38/721820338.db2.gz URQWLQUTDARNFU-CDNPAEQRSA-N 1 1 433.531 4.540 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)C[C@H]21 ZINC001165026874 721820667 /nfs/dbraw/zinc/82/06/67/721820667.db2.gz RXQCGFQRZBGEPA-QXAKKESOSA-N 1 1 445.945 4.893 20 0 IJADMO Cc1nc2sc3c(c2c(N2C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C2)n1)CCC3 ZINC001165025674 721823077 /nfs/dbraw/zinc/82/30/77/721823077.db2.gz NJRINTJTXTVVJJ-YYWHXJBOSA-N 1 1 433.625 4.620 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4nc(Cl)cnc4cc3F)C[C@H]21 ZINC001165025274 721826205 /nfs/dbraw/zinc/82/62/05/721826205.db2.gz MNKLWAWXSLQWID-QLVMHMETSA-N 1 1 425.939 4.554 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc(Oc4ccc(F)cc4)n3)C[C@@H]21 ZINC001165027555 721826330 /nfs/dbraw/zinc/82/63/30/721826330.db2.gz SPQKRJDLRWHWMJ-OFAXGOBFSA-N 1 1 433.531 4.540 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4c(F)cccc4F)nn3)C[C@H]21 ZINC001165027037 721826870 /nfs/dbraw/zinc/82/68/70/721826870.db2.gz REZIPZSHENVBEW-LYHRCORUSA-N 1 1 435.522 4.554 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(SCc4ccccc4)ncn3)C[C@@H]21 ZINC001165027861 721827784 /nfs/dbraw/zinc/82/77/84/721827784.db2.gz UHYXTBCCMLGFJS-OEMFJLHTSA-N 1 1 445.636 4.901 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)C[C@H]21 ZINC001165030191 721831704 /nfs/dbraw/zinc/83/17/04/721831704.db2.gz YRNYCDLCJKGYCD-DUXKGJEZSA-N 1 1 446.973 4.987 20 0 IJADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cc(C)nc(Cl)c2)CC1 ZINC001165021522 721838012 /nfs/dbraw/zinc/83/80/12/721838012.db2.gz NNVGXOBDNDDGJX-UHFFFAOYSA-N 1 1 439.934 4.706 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(-c5ccc(Cl)cc5)nn4)CC3)C2)cc1 ZINC001164938968 721921620 /nfs/dbraw/zinc/92/16/20/721921620.db2.gz DYCOXPUUWLURPG-UHFFFAOYSA-N 1 1 448.998 4.977 20 0 IJADMO CCc1nc(Cl)c(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c(Cl)n1 ZINC001164940223 721932023 /nfs/dbraw/zinc/93/20/23/721932023.db2.gz SOZLGGQXNDDWIE-UHFFFAOYSA-N 1 1 435.399 4.526 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCn3cnc(COc4cccnc4)c3C2)nc1 ZINC001164952180 721998341 /nfs/dbraw/zinc/99/83/41/721998341.db2.gz QAHFFUFEDXDWKK-XMMPIXPASA-N 1 1 446.599 4.599 20 0 IJADMO Clc1cc2c(Cl)ccnc2c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164953847 722016974 /nfs/dbraw/zinc/01/69/74/722016974.db2.gz ZIWZMCSYTWADIT-UHFFFAOYSA-N 1 1 428.367 4.824 20 0 IJADMO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164956045 722019303 /nfs/dbraw/zinc/01/93/03/722019303.db2.gz VBCZJHYDAHAMRO-UHFFFAOYSA-N 1 1 442.991 4.578 20 0 IJADMO Cc1cccc(COC[C@]23CCCO[C@H]2CC[N@H+](C(C)(C)c2ccnc(Cl)c2)C3)n1 ZINC001164957961 722027615 /nfs/dbraw/zinc/02/76/15/722027615.db2.gz CKRXQYMLHUEDBO-XUZZJYLKSA-N 1 1 429.992 4.761 20 0 IJADMO Clc1cc(Cl)c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(Cl)n1 ZINC001164960483 722053894 /nfs/dbraw/zinc/05/38/94/722053894.db2.gz PGXNJJGTEJMJES-UHFFFAOYSA-N 1 1 441.790 4.556 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3c4ccccc4[C@H](NC(=O)N(C)C)[C@@H]3C2)nc1 ZINC001164982218 722098116 /nfs/dbraw/zinc/09/81/16/722098116.db2.gz NAUFUUVKBAYWKQ-GWZVJQKXSA-N 1 1 447.627 4.565 20 0 IJADMO COc1cccc(Oc2cncc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)n2)c1 ZINC001164994443 722205391 /nfs/dbraw/zinc/20/53/91/722205391.db2.gz HCLAYMNXSWISGA-RUZDIDTESA-N 1 1 434.515 4.662 20 0 IJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(Cl)nc4c(Cl)nccc42)C3)c1 ZINC001164994423 722207358 /nfs/dbraw/zinc/20/73/58/722207358.db2.gz GPIXDXCRIPMENR-NRFANRHFSA-N 1 1 432.330 4.716 20 0 IJADMO COc1ccc(-c2ccc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nn2)c(OC)c1 ZINC001164997787 722210177 /nfs/dbraw/zinc/21/01/77/722210177.db2.gz RRUIGGWXGNBUAR-AREMUKBSSA-N 1 1 448.542 4.545 20 0 IJADMO OCC[C@H]1CC12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164393807 718811603 /nfs/dbraw/zinc/81/16/03/718811603.db2.gz WTHSMEGNGVMPPW-SFHVURJKSA-N 1 1 440.657 4.545 20 0 IJADMO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164692895 719809720 /nfs/dbraw/zinc/80/97/20/719809720.db2.gz NNCASMWZJYDWBF-UHFFFAOYSA-N 1 1 449.020 4.620 20 0 IJADMO Clc1ccc2nc(Cl)nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c1 ZINC001164700289 719886086 /nfs/dbraw/zinc/88/60/86/719886086.db2.gz JFOLMLIXINDFJY-UHFFFAOYSA-N 1 1 449.407 4.870 20 0 IJADMO Cc1ccc(F)c2cc(C)c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc12 ZINC001164698458 719895492 /nfs/dbraw/zinc/89/54/92/719895492.db2.gz UGPRJOQPYHPJHS-UHFFFAOYSA-N 1 1 425.573 4.924 20 0 IJADMO Clc1ccccc1-c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nn1 ZINC001164696222 719895564 /nfs/dbraw/zinc/89/55/64/719895564.db2.gz CLJARDNPORMDPS-UHFFFAOYSA-N 1 1 441.000 4.730 20 0 IJADMO CC(C)c1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc(C(C)(C)C)n1 ZINC001164705913 719901471 /nfs/dbraw/zinc/90/14/71/719901471.db2.gz FSSRJWOGUZUEDP-UHFFFAOYSA-N 1 1 428.646 4.830 20 0 IJADMO Fc1cccc2c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)cc(Cl)nc12 ZINC001164706599 719905581 /nfs/dbraw/zinc/90/55/81/719905581.db2.gz JBWAMBAMVSJCRY-UHFFFAOYSA-N 1 1 431.964 4.960 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1c(Cl)nc(Cl)c(Cl)c1Cl)C2 ZINC001164805861 720094331 /nfs/dbraw/zinc/09/43/31/720094331.db2.gz AEOLGCVWJNRXIW-KPZWWZAWSA-N 1 1 439.214 4.880 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccc(C)s3)nc3ccccc31)C2 ZINC001164819183 720177626 /nfs/dbraw/zinc/17/76/26/720177626.db2.gz WKIZQKFIEGAYPQ-FNZWTVRRSA-N 1 1 448.636 4.851 20 0 IJADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723423 720406987 /nfs/dbraw/zinc/40/69/87/720406987.db2.gz GKWHSAVREDLOCK-MSOLQXFVSA-N 1 1 429.351 4.798 20 0 IJADMO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164735064 720438236 /nfs/dbraw/zinc/43/82/36/720438236.db2.gz VMDNBALHRVPUIK-SFTDATJTSA-N 1 1 442.592 4.618 20 0 IJADMO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n2)s1 ZINC001164726247 720452512 /nfs/dbraw/zinc/45/25/12/720452512.db2.gz BEMXNHPAAGNTHE-FGZHOGPDSA-N 1 1 427.577 4.915 20 0 IJADMO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730931 720463544 /nfs/dbraw/zinc/46/35/44/720463544.db2.gz JUZKMHSSYVARRE-LEWJYISDSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730931 720463551 /nfs/dbraw/zinc/46/35/51/720463551.db2.gz JUZKMHSSYVARRE-LEWJYISDSA-N 1 1 441.913 4.590 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3c(Cl)cc(Cl)nc3Cl)CC[C@@H]21 ZINC001164832385 720522744 /nfs/dbraw/zinc/52/27/44/720522744.db2.gz AKKGCTGSJYMCMF-YCPHGPKFSA-N 1 1 428.795 4.616 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4cc(C(C)(C)C)sc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840718 720523248 /nfs/dbraw/zinc/52/32/48/720523248.db2.gz XIOCNPSYHWVJOG-CMKODMSKSA-N 1 1 438.645 4.563 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(F)cc4ccc(Cl)nc43)CC[C@@H]21 ZINC001164836388 720546558 /nfs/dbraw/zinc/54/65/58/720546558.db2.gz JWCWSABWOQTFRF-IHPCNDPISA-N 1 1 427.955 4.602 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1ccn3C1CCCC1)CC2 ZINC001164844545 720694177 /nfs/dbraw/zinc/69/41/77/720694177.db2.gz TYRPTOVPJRYNAX-QHCPKHFHSA-N 1 1 445.611 4.806 20 0 IJADMO CCc1nc(Cl)c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)n1 ZINC001164840353 720717526 /nfs/dbraw/zinc/71/75/26/720717526.db2.gz PXNFORHJODFJES-KRWDZBQOSA-N 1 1 435.399 4.606 20 0 IJADMO CCc1nc(Cl)nc(Cl)c1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164838833 720726762 /nfs/dbraw/zinc/72/67/62/720726762.db2.gz JHKFEYZAPSNNGW-KRWDZBQOSA-N 1 1 435.399 4.606 20 0 IJADMO Clc1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164755447 720870570 /nfs/dbraw/zinc/87/05/70/720870570.db2.gz WZEXVGQDPBUHCZ-AUSIDOKSSA-N 1 1 447.410 4.539 20 0 IJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)nc1 ZINC001164861672 720894785 /nfs/dbraw/zinc/89/47/85/720894785.db2.gz YKJSJXUOBLEFSN-DEOSSOPVSA-N 1 1 447.627 4.546 20 0 IJADMO Fc1cccc2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc12 ZINC001164754889 720901076 /nfs/dbraw/zinc/90/10/76/720901076.db2.gz JMJMECLKHLKIOH-KCWPFWIISA-N 1 1 446.570 4.524 20 0 IJADMO Fc1ccc2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164749186 720914585 /nfs/dbraw/zinc/91/45/85/720914585.db2.gz IFYCPUCDQAHCGI-YIXXDRMTSA-N 1 1 446.570 4.524 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccsc3)nc3ccccc31)[C@H]2C ZINC001164858951 721005723 /nfs/dbraw/zinc/00/57/23/721005723.db2.gz JNVFMHXKOPHGIT-KRWDZBQOSA-N 1 1 432.597 4.976 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(C(F)F)nc3ccc(Cl)cc31)[C@H]2C ZINC001164862376 721015162 /nfs/dbraw/zinc/01/51/62/721015162.db2.gz PZNRFIPBWPWLSA-ZDUSSCGKSA-N 1 1 434.922 4.839 20 0 IJADMO Clc1cc2nc(Cl)c(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nc2cc1Cl ZINC001164791464 721401809 /nfs/dbraw/zinc/40/18/09/721401809.db2.gz YQHFTYYAVBYKRZ-PHIMTYICSA-N 1 1 440.787 4.615 20 0 IJADMO Clc1cc2nc(Cl)c(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nc2cc1Cl ZINC001164791464 721401810 /nfs/dbraw/zinc/40/18/10/721401810.db2.gz YQHFTYYAVBYKRZ-PHIMTYICSA-N 1 1 440.787 4.615 20 0 IJADMO Cc1ccc(-c2nc3ccccc3c(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)n2)s1 ZINC001164790297 721429732 /nfs/dbraw/zinc/42/97/32/721429732.db2.gz XMMMRNJFFPYPJU-IAGOWNOFSA-N 1 1 433.606 4.691 20 0 IJADMO c1csc(C[NH+]2C[C@H]3CN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)C[C@@H]3C2)n1 ZINC001164785641 721431449 /nfs/dbraw/zinc/43/14/49/721431449.db2.gz NUXNVWPRHSZWPT-GOTSBHOMSA-N 1 1 439.588 4.835 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc(-c3c[nH]c4ccccc34)n1)CC2 ZINC001164791580 721494782 /nfs/dbraw/zinc/49/47/82/721494782.db2.gz DTGNJNIFUNCRLD-UHFFFAOYSA-N 1 1 438.579 4.901 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(C(=O)Nc3ccccc3)ccn1)CC2 ZINC001164791930 721496073 /nfs/dbraw/zinc/49/60/73/721496073.db2.gz FFROWWNAEBOFFA-UHFFFAOYSA-N 1 1 441.579 4.610 20 0 IJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccccc3)cc(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164799178 721552229 /nfs/dbraw/zinc/55/22/29/721552229.db2.gz BANXTYSBUVTGCE-SGIRGMQISA-N 1 1 434.971 4.665 20 0 IJADMO CSc1nc2sccc2c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908375 721586521 /nfs/dbraw/zinc/58/65/21/721586521.db2.gz YTPWSVNKGVLLSO-FQEVSTJZSA-N 1 1 447.580 4.546 20 0 IJADMO Cc1ccc(Cl)nc1C(F)(F)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906785 721713330 /nfs/dbraw/zinc/71/33/30/721713330.db2.gz OEKQOQGMAOOVMM-LJQANCHMSA-N 1 1 442.888 4.721 20 0 IJADMO Cc1nc(C2CCCCC2)cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904353 721720406 /nfs/dbraw/zinc/72/04/06/721720406.db2.gz CCYDNXROHSIQES-XMMPIXPASA-N 1 1 441.570 4.965 20 0 IJADMO Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(-c2ccsc2)n1 ZINC001164909137 721728295 /nfs/dbraw/zinc/72/82/95/721728295.db2.gz CGWBXVAASNMBNV-JOCHJYFZSA-N 1 1 441.551 4.646 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc(C(C)(C)C)n1)C2 ZINC001164910847 721758789 /nfs/dbraw/zinc/75/87/89/721758789.db2.gz SQCCFPKTXDOFMJ-UHFFFAOYSA-N 1 1 425.964 4.610 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc(C(C)(C)C)n1)C2 ZINC001164910847 721758792 /nfs/dbraw/zinc/75/87/92/721758792.db2.gz SQCCFPKTXDOFMJ-UHFFFAOYSA-N 1 1 425.964 4.610 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4ccnc(Cl)c4)ccn3)C[C@H]21 ZINC001165027547 721805858 /nfs/dbraw/zinc/80/58/58/721805858.db2.gz WDPBURVSBRQROW-MDNUFGMLSA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c(F)cccc43)C[C@H]21 ZINC001165024292 721809990 /nfs/dbraw/zinc/80/99/90/721809990.db2.gz KHCBTTIOWVVZBP-QKYXUNIQSA-N 1 1 425.939 4.554 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nnc3-c3ccccc3)C[C@@H]21 ZINC001165022625 721812650 /nfs/dbraw/zinc/81/26/50/721812650.db2.gz GFICDSHEWGMXIV-ILWGZMRPSA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ncc3-c3ccccc3)C[C@@H]21 ZINC001165024734 721813165 /nfs/dbraw/zinc/81/31/65/721813165.db2.gz KKCSJGDAUQWEJX-WTIAFYNJSA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cccc(OCc4ccccc4)n3)C[C@H]21 ZINC001165027328 721820088 /nfs/dbraw/zinc/82/00/88/721820088.db2.gz UIEMHYTZNKEZPT-QLBJFCOMSA-N 1 1 428.580 4.793 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4c(F)cccc4F)nn3)C[C@@H]21 ZINC001165027038 721827154 /nfs/dbraw/zinc/82/71/54/721827154.db2.gz REZIPZSHENVBEW-WCAVRKLYSA-N 1 1 435.522 4.554 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(F)ccc4c(Cl)ncnc43)C[C@H]21 ZINC001165025769 721831755 /nfs/dbraw/zinc/83/17/55/721831755.db2.gz NWPICWLYTIZXIS-XFQXTVEOSA-N 1 1 425.939 4.554 20 0 IJADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2ccc(C)c(Cl)n2)CC1 ZINC001165020492 721841244 /nfs/dbraw/zinc/84/12/44/721841244.db2.gz FDRGDIWTOGSYPW-UHFFFAOYSA-N 1 1 439.934 4.706 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4cc(C)nc(Cl)c4)CC3)C2)cc1 ZINC001164938358 721921282 /nfs/dbraw/zinc/92/12/82/721921282.db2.gz MBLDRWYWQCATNV-UHFFFAOYSA-N 1 1 435.946 4.768 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nnc(Cl)c5cccc(C)c54)CC3)C2)cc1 ZINC001164940946 721926039 /nfs/dbraw/zinc/92/60/39/721926039.db2.gz XCDQTBMYVFGVEY-UHFFFAOYSA-N 1 1 436.987 4.771 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4cnc(Cl)cc4C)CC3)C2)cc1 ZINC001164939725 721926541 /nfs/dbraw/zinc/92/65/41/721926541.db2.gz LZCOXQJUUXQMOY-UHFFFAOYSA-N 1 1 435.946 4.768 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cncc(Oc5cccc(F)c5)n4)CC3)C2)cc1 ZINC001164938642 721928673 /nfs/dbraw/zinc/92/86/73/721928673.db2.gz CEROICGRRNEEIA-UHFFFAOYSA-N 1 1 448.542 4.588 20 0 IJADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CC[C@H](c5ccncc5)C3)n2)CCC4)CC1 ZINC001165040555 721928792 /nfs/dbraw/zinc/92/87/92/721928792.db2.gz DYFYSNRFZOMNEB-IBGZPJMESA-N 1 1 433.625 4.801 20 0 IJADMO CCc1nc(Cl)nc(Cl)c1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164941652 721933008 /nfs/dbraw/zinc/93/30/08/721933008.db2.gz IXSHCJZYGUCLCE-UHFFFAOYSA-N 1 1 435.399 4.526 20 0 IJADMO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164953331 722013777 /nfs/dbraw/zinc/01/37/77/722013777.db2.gz FPOLALKCMFUIML-UHFFFAOYSA-N 1 1 443.929 4.716 20 0 IJADMO Fc1ccc(-c2nc(Cl)cc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n2)cc1 ZINC001164955225 722022825 /nfs/dbraw/zinc/02/28/25/722022825.db2.gz APXIVLICTGGFFB-UHFFFAOYSA-N 1 1 437.950 4.824 20 0 IJADMO c1cc2c(nc(-c3ccccn3)nc2N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)s1 ZINC001164963433 722024009 /nfs/dbraw/zinc/02/40/09/722024009.db2.gz TXBYBXHRBAXPQI-UHFFFAOYSA-N 1 1 442.592 4.641 20 0 IJADMO Cc1cccc(COC[C@@]23CCCO[C@H]2CC[N@H+](C(C)(C)c2ccnc(Cl)c2)C3)n1 ZINC001164957960 722027720 /nfs/dbraw/zinc/02/77/20/722027720.db2.gz CKRXQYMLHUEDBO-URXFXBBRSA-N 1 1 429.992 4.761 20 0 IJADMO Clc1cc(-c2ccccc2)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977461 722116193 /nfs/dbraw/zinc/11/61/93/722116193.db2.gz NHZZIXXUKPSJQR-FYYLOGMGSA-N 1 1 434.971 4.524 20 0 IJADMO Clc1ccc(Cl)c2nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)ccc12 ZINC001164977870 722153582 /nfs/dbraw/zinc/15/35/82/722153582.db2.gz YYDVDEGACKODQX-UWJYYQICSA-N 1 1 443.378 4.664 20 0 IJADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)c2nc(Cl)ncc2Cl)C3)c1 ZINC001164994897 722195941 /nfs/dbraw/zinc/19/59/41/722195941.db2.gz QPTHTCCDWVJASJ-SFHVURJKSA-N 1 1 431.289 4.712 20 0 IJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)c2nc(Cl)ncc2Cl)C3)c1 ZINC001164994897 722195942 /nfs/dbraw/zinc/19/59/42/722195942.db2.gz QPTHTCCDWVJASJ-SFHVURJKSA-N 1 1 431.289 4.712 20 0 IJADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)c2ccc4ncnc(Cl)c4n2)C3)c1 ZINC001164996645 722203177 /nfs/dbraw/zinc/20/31/77/722203177.db2.gz USLCFWHFHIUDAZ-NRFANRHFSA-N 1 1 447.892 4.607 20 0 IJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)c2ccc4ncnc(Cl)c4n2)C3)c1 ZINC001164996645 722203182 /nfs/dbraw/zinc/20/31/82/722203182.db2.gz USLCFWHFHIUDAZ-NRFANRHFSA-N 1 1 447.892 4.607 20 0 IJADMO CC(C)(C)OC(=O)Nc1ccc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1 ZINC001164994998 722206950 /nfs/dbraw/zinc/20/69/50/722206950.db2.gz KISIFBOIDFMVGI-DEOSSOPVSA-N 1 1 426.536 4.813 20 0 IJADMO C(c1nc2sc3c(c2c(N2CC[C@H]4CCCO[C@H]4C2)n1)CCCC3)[NH+]1CCCCC1 ZINC001164422222 718902130 /nfs/dbraw/zinc/90/21/30/718902130.db2.gz XMKMYTDZZSKSHX-MJGOQNOKSA-N 1 1 426.630 4.561 20 0 IJADMO Fc1ccc(Oc2nc(Cl)nc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)n2)cc1 ZINC001164624394 719085787 /nfs/dbraw/zinc/08/57/87/719085787.db2.gz LWBDAZFFITVDDE-PXNSSMCTSA-N 1 1 439.922 4.557 20 0 IJADMO Fc1ccc(Oc2nc(Cl)nc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)n2)cc1 ZINC001164624395 719086143 /nfs/dbraw/zinc/08/61/43/719086143.db2.gz LWBDAZFFITVDDE-XLIONFOSSA-N 1 1 439.922 4.557 20 0 IJADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164647343 719312785 /nfs/dbraw/zinc/31/27/85/719312785.db2.gz AMITUYGPEUTEAK-UHFFFAOYSA-N 1 1 448.398 4.952 20 0 IJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)Oc2ccc(Cl)nc2)CC3)cs1 ZINC001164693120 719806645 /nfs/dbraw/zinc/80/66/45/719806645.db2.gz QQAJQNZJBGHXJC-UHFFFAOYSA-N 1 1 428.936 4.560 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)Oc2ccc(Cl)nc2)CC3)cs1 ZINC001164693120 719806646 /nfs/dbraw/zinc/80/66/46/719806646.db2.gz QQAJQNZJBGHXJC-UHFFFAOYSA-N 1 1 428.936 4.560 20 0 IJADMO Clc1ccc2nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c(Cl)nc2c1 ZINC001164694571 719890311 /nfs/dbraw/zinc/89/03/11/719890311.db2.gz AEUAWVQVGSRIDP-UHFFFAOYSA-N 1 1 449.407 4.870 20 0 IJADMO CCCCOc1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(Cl)c1 ZINC001164696191 719897220 /nfs/dbraw/zinc/89/72/20/719897220.db2.gz BALZYRFHTUGWPN-UHFFFAOYSA-N 1 1 436.021 4.847 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3scc(-c4ccccc4)c31)C2 ZINC001164807586 720091676 /nfs/dbraw/zinc/09/16/76/720091676.db2.gz GAMAJVFNVPOHEQ-NLFFAJNJSA-N 1 1 434.609 4.543 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)C2 ZINC001164811118 720104098 /nfs/dbraw/zinc/10/40/98/720104098.db2.gz LMNRMJAQVJPEEB-KNQAVFIVSA-N 1 1 435.946 4.618 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccc(C)cc3)nc3ccccc31)C2 ZINC001164811038 720137398 /nfs/dbraw/zinc/13/73/98/720137398.db2.gz KPITYBNEKUKEQS-LXFBAYGMSA-N 1 1 442.607 4.790 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1c(C)c(Cl)nc3cc(F)cc(F)c31)C2 ZINC001164811367 720196856 /nfs/dbraw/zinc/19/68/56/720196856.db2.gz GSYIWXDZTIVGKS-MWTRTKDXSA-N 1 1 435.946 4.660 20 0 IJADMO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724498 720358858 /nfs/dbraw/zinc/35/88/58/720358858.db2.gz KKNCTJDQHUZYHK-NHCUHLMSSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724498 720358864 /nfs/dbraw/zinc/35/88/64/720358864.db2.gz KKNCTJDQHUZYHK-NHCUHLMSSA-N 1 1 441.913 4.590 20 0 IJADMO Fc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164729094 720359804 /nfs/dbraw/zinc/35/98/04/720359804.db2.gz WPVUWFTZUWCWAF-RPWUZVMVSA-N 1 1 443.501 4.823 20 0 IJADMO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164726562 720398969 /nfs/dbraw/zinc/39/89/69/720398969.db2.gz POPGBFZQGJYNAQ-LOSJGSFVSA-N 1 1 439.538 4.993 20 0 IJADMO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164729407 720458301 /nfs/dbraw/zinc/45/83/01/720458301.db2.gz HJOOYSCCRYDGLT-SFTDATJTSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164729407 720458311 /nfs/dbraw/zinc/45/83/11/720458311.db2.gz HJOOYSCCRYDGLT-SFTDATJTSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732123 720467183 /nfs/dbraw/zinc/46/71/83/720467183.db2.gz NAYYCLVYRUALAP-NHCUHLMSSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732123 720467187 /nfs/dbraw/zinc/46/71/87/720467187.db2.gz NAYYCLVYRUALAP-NHCUHLMSSA-N 1 1 441.913 4.590 20 0 IJADMO Clc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164726899 720477451 /nfs/dbraw/zinc/47/74/51/720477451.db2.gz MXAVYANDBPKKFD-RBUKOAKNSA-N 1 1 442.350 4.824 20 0 IJADMO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164731580 720479616 /nfs/dbraw/zinc/47/96/16/720479616.db2.gz WNQPHKLRFZJFTC-SFTDATJTSA-N 1 1 435.959 4.733 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4cc(C(C)(C)C)sc43)CC[C@@H]21 ZINC001164840721 720522761 /nfs/dbraw/zinc/52/27/61/720522761.db2.gz XIOCNPSYHWVJOG-HBFSDRIKSA-N 1 1 438.645 4.563 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc4nc(Cl)cnc4cc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836831 720535283 /nfs/dbraw/zinc/53/52/83/720535283.db2.gz LGVHRZVDMWQPII-GQIGUUNPSA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)ccc3-c3ccccc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834674 720540627 /nfs/dbraw/zinc/54/06/27/720540627.db2.gz FRJIHZWWIIEQHI-QNWVGRARSA-N 1 1 436.003 4.976 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(Cl)nc4c(F)ccc(F)c34)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842734 720646677 /nfs/dbraw/zinc/64/66/77/720646677.db2.gz UALBRWFLLOQCMX-JTDSTZFVSA-N 1 1 445.945 4.741 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3c(Cl)ccc4c(Cl)ncnc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839129 720646966 /nfs/dbraw/zinc/64/69/66/720646966.db2.gz IROWWFKWAAXLRS-JTDSTZFVSA-N 1 1 445.398 4.511 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3c1CCCCC3)CC2 ZINC001164843889 720688265 /nfs/dbraw/zinc/68/82/65/720688265.db2.gz RSZGRRSEMKOWSN-FQEVSTJZSA-N 1 1 441.019 4.659 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1nc(Cl)ccc1F)CC2 ZINC001164841931 720688506 /nfs/dbraw/zinc/68/85/06/720688506.db2.gz KFVKIIKABZCSEP-KRWDZBQOSA-N 1 1 439.909 4.679 20 0 IJADMO Cc1nc2c3ccccc3oc2c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164845308 720701107 /nfs/dbraw/zinc/70/11/07/720701107.db2.gz YCVBJTURYALYLC-NRFANRHFSA-N 1 1 442.563 4.944 20 0 IJADMO Cc1nc2sc3c(c2c(N2CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC2)n1)CCC3 ZINC001164836905 720711095 /nfs/dbraw/zinc/71/10/95/720711095.db2.gz BRLIRMHGAACXLU-FQEVSTJZSA-N 1 1 448.636 4.748 20 0 IJADMO COc1cc2nc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)ccc2c(OC)c1 ZINC001164840893 720726463 /nfs/dbraw/zinc/72/64/63/720726463.db2.gz RTRUPXCUUNCPOO-OAQYLSRUSA-N 1 1 447.579 4.512 20 0 IJADMO Cc1nc([C@@H]2COCCN2c2nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c32)cs1 ZINC001164753935 720864723 /nfs/dbraw/zinc/86/47/23/720864723.db2.gz ZEYAGHSFKLPDCD-SFHVURJKSA-N 1 1 443.642 4.637 20 0 IJADMO Clc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)c1 ZINC001164752477 720871069 /nfs/dbraw/zinc/87/10/69/720871069.db2.gz NBPGCHAPAAYAQD-WMZHIEFXSA-N 1 1 447.410 4.539 20 0 IJADMO Cc1cc(Cl)c(C)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758833 720897252 /nfs/dbraw/zinc/89/72/52/720897252.db2.gz ZSTWLMDBAXICQK-WIOPSUGQSA-N 1 1 441.019 4.502 20 0 IJADMO Fc1ccc2cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2c1 ZINC001164755044 720918543 /nfs/dbraw/zinc/91/85/43/720918543.db2.gz XWKOJXDTXKYWPD-SQHAQQRYSA-N 1 1 446.570 4.524 20 0 IJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4sccc43)C2)C1 ZINC001164777290 721345232 /nfs/dbraw/zinc/34/52/32/721345232.db2.gz FPIVARJJCKLPTQ-JOCHJYFZSA-N 1 1 447.004 4.674 20 0 IJADMO Fc1ccc2nc(-c3ccccc3F)nc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c2c1 ZINC001164789178 721401078 /nfs/dbraw/zinc/40/10/78/721401078.db2.gz UAQCGBQCUPFXFN-HOTGVXAUSA-N 1 1 449.530 4.600 20 0 IJADMO Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164783671 721415419 /nfs/dbraw/zinc/41/54/19/721415419.db2.gz JGUBYNKUTYUXHU-QZTJIDSGSA-N 1 1 447.995 4.975 20 0 IJADMO Cc1ccc(-c2nnc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c3ccccc32)cc1 ZINC001164783887 721425377 /nfs/dbraw/zinc/42/53/77/721425377.db2.gz JTDXOAPGPRJWLO-WOJBJXKFSA-N 1 1 427.577 4.630 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3cccc(F)c31)CC2 ZINC001164792991 721493437 /nfs/dbraw/zinc/49/34/37/721493437.db2.gz XRFMWDCUDIKQSY-UHFFFAOYSA-N 1 1 425.939 4.698 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3c(F)cccc31)CC2 ZINC001164792321 721494232 /nfs/dbraw/zinc/49/42/32/721494232.db2.gz OPGGCYPMULOHLT-UHFFFAOYSA-N 1 1 425.939 4.698 20 0 IJADMO COc1ccc2nc(Cl)cc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2n1 ZINC001164791572 721495908 /nfs/dbraw/zinc/49/59/08/721495908.db2.gz DRCIFVYNVYIZFF-UHFFFAOYSA-N 1 1 437.975 4.568 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)cc(Cc3ccccc3)n1)CC2 ZINC001164796781 721498436 /nfs/dbraw/zinc/49/84/36/721498436.db2.gz XKYKZAFELSMECF-UHFFFAOYSA-N 1 1 448.014 4.997 20 0 IJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(SCc3ccccc3)ccn2)[C@@H]2CCCO[C@@H]12 ZINC001164799338 721582917 /nfs/dbraw/zinc/58/29/17/721582917.db2.gz AWGLHKLYSWBNGG-DGWZTRNLSA-N 1 1 446.620 4.637 20 0 IJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(SCc3ccccc3)ccn2)[C@H]2CCCO[C@@H]12 ZINC001164799335 721583018 /nfs/dbraw/zinc/58/30/18/721583018.db2.gz AWGLHKLYSWBNGG-BFLUCZKCSA-N 1 1 446.620 4.637 20 0 IJADMO Cc1ccc2nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c(Cl)nc2c1 ZINC001164904337 721701772 /nfs/dbraw/zinc/70/17/72/721701772.db2.gz FRLSHCXWJVFKEZ-JOCHJYFZSA-N 1 1 443.929 4.724 20 0 IJADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907431 721723176 /nfs/dbraw/zinc/72/31/76/721723176.db2.gz RZSVZJKQQMOJEF-JOCHJYFZSA-N 1 1 449.977 4.869 20 0 IJADMO Cc1cccc2c1nc(Cl)nc2N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164907977 721751380 /nfs/dbraw/zinc/75/13/80/721751380.db2.gz FNUHSZIHWHWUGV-UHFFFAOYSA-N 1 1 433.943 4.774 20 0 IJADMO Cc1cccc2c1nc(Cl)nc2N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164907977 721751384 /nfs/dbraw/zinc/75/13/84/721751384.db2.gz FNUHSZIHWHWUGV-UHFFFAOYSA-N 1 1 433.943 4.774 20 0 IJADMO Cc1c(Cl)nc(CC(C)C)nc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164912236 721765012 /nfs/dbraw/zinc/76/50/12/721765012.db2.gz VXGVQVBGBVXTPT-UHFFFAOYSA-N 1 1 439.991 4.820 20 0 IJADMO Cc1c(Cl)nc(CC(C)C)nc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164912236 721765017 /nfs/dbraw/zinc/76/50/17/721765017.db2.gz VXGVQVBGBVXTPT-UHFFFAOYSA-N 1 1 439.991 4.820 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(F)c(-c3ccsc3)n1)C2 ZINC001164911646 721765555 /nfs/dbraw/zinc/76/55/55/721765555.db2.gz QPKQQZQEYPFEMN-UHFFFAOYSA-N 1 1 435.528 4.527 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(F)c(-c3ccsc3)n1)C2 ZINC001164911646 721765559 /nfs/dbraw/zinc/76/55/59/721765559.db2.gz QPKQQZQEYPFEMN-UHFFFAOYSA-N 1 1 435.528 4.527 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc(-c4c[nH]c5ccccc45)n3)C[C@@H]21 ZINC001165027637 721811258 /nfs/dbraw/zinc/81/12/58/721811258.db2.gz VKGASJOYWOVLRC-FPDDQMOCSA-N 1 1 438.579 4.757 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(F)cc4ncnc(Cl)c43)C[C@@H]21 ZINC001165021626 721820945 /nfs/dbraw/zinc/82/09/45/721820945.db2.gz FITLEXIIVWUPKB-ZAAXVRCTSA-N 1 1 425.939 4.554 20 0 IJADMO Cc1ccc(C)c(-c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nn2)c1 ZINC001165027873 721825973 /nfs/dbraw/zinc/82/59/73/721825973.db2.gz UQCGDONHMIHZTO-CVJWPJSTSA-N 1 1 427.596 4.892 20 0 IJADMO CCOc1ccc(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)cc1 ZINC001165024044 721827325 /nfs/dbraw/zinc/82/73/25/721827325.db2.gz JLBLAMBBSKIHHU-BBVWWWHTSA-N 1 1 443.595 4.674 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4csc5ncnc(Cl)c45)CC3)C2)cc1 ZINC001164940974 721924754 /nfs/dbraw/zinc/92/47/54/721924754.db2.gz XPKJCVATFIUVQR-UHFFFAOYSA-N 1 1 428.989 4.525 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(-c5cccc(C)c5)nn4)CC3)C2)cc1 ZINC001164940076 721931535 /nfs/dbraw/zinc/93/15/35/721931535.db2.gz QBKUKIYGWGSKGU-UHFFFAOYSA-N 1 1 428.580 4.632 20 0 IJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCN(Cc3cccnc3)c3nc(C)ccc3C2)nc1 ZINC001164952257 722006703 /nfs/dbraw/zinc/00/67/03/722006703.db2.gz LZHFNKPTJALGAH-VWLOTQADSA-N 1 1 442.611 4.754 20 0 IJADMO FC(F)(c1nc2ccsc2c(Cl)n1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164951793 722014850 /nfs/dbraw/zinc/01/48/50/722014850.db2.gz DTXWPMUAYGIGBH-UHFFFAOYSA-N 1 1 449.958 4.777 20 0 IJADMO c1ccc(CSc2ccnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n2)cc1 ZINC001164962693 722024088 /nfs/dbraw/zinc/02/40/88/722024088.db2.gz QXJGMOYSWQQAAB-UHFFFAOYSA-N 1 1 431.609 4.656 20 0 IJADMO CSc1nc(Cl)cc(C(F)(F)N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993931 722193240 /nfs/dbraw/zinc/19/32/40/722193240.db2.gz JMGXQELBAQEMGO-LJQANCHMSA-N 1 1 442.938 4.781 20 0 IJADMO CSc1nc(Cl)cc(C(F)(F)N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993931 722193242 /nfs/dbraw/zinc/19/32/42/722193242.db2.gz JMGXQELBAQEMGO-LJQANCHMSA-N 1 1 442.938 4.781 20 0 IJADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)c2nc(Cl)cc(Cl)n2)C3)c1 ZINC001164994601 722193786 /nfs/dbraw/zinc/19/37/86/722193786.db2.gz OHEZQCYTFKUZBW-SFHVURJKSA-N 1 1 431.289 4.712 20 0 IJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)c2nc(Cl)cc(Cl)n2)C3)c1 ZINC001164994601 722193789 /nfs/dbraw/zinc/19/37/89/722193789.db2.gz OHEZQCYTFKUZBW-SFHVURJKSA-N 1 1 431.289 4.712 20 0 IJADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2nc(Cl)ncc2Cl)C3)c1 ZINC001164994895 722195614 /nfs/dbraw/zinc/19/56/14/722195614.db2.gz QPTHTCCDWVJASJ-GOSISDBHSA-N 1 1 431.289 4.712 20 0 IJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2nc(Cl)ncc2Cl)C3)c1 ZINC001164994895 722195616 /nfs/dbraw/zinc/19/56/16/722195616.db2.gz QPTHTCCDWVJASJ-GOSISDBHSA-N 1 1 431.289 4.712 20 0 IJADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)C3)c1 ZINC001164993816 722206506 /nfs/dbraw/zinc/20/65/06/722206506.db2.gz BWGWTMNENHRNFS-IBGZPJMESA-N 1 1 445.316 4.798 20 0 IJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)C3)c1 ZINC001164993816 722206509 /nfs/dbraw/zinc/20/65/09/722206509.db2.gz BWGWTMNENHRNFS-IBGZPJMESA-N 1 1 445.316 4.798 20 0 IJADMO CC(C)(C)OC(=O)Nc1ccc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1 ZINC001164995000 722207353 /nfs/dbraw/zinc/20/73/53/722207353.db2.gz KISIFBOIDFMVGI-XMMPIXPASA-N 1 1 426.536 4.813 20 0 IJADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2nc4ccc(Cl)nc4[nH]2)C3)c1 ZINC001164995901 722208953 /nfs/dbraw/zinc/20/89/53/722208953.db2.gz PRUMOEGQWDQBRG-HXUWFJFHSA-N 1 1 435.881 4.540 20 0 IJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2nc4ccc(Cl)nc4[nH]2)C3)c1 ZINC001164995901 722208959 /nfs/dbraw/zinc/20/89/59/722208959.db2.gz PRUMOEGQWDQBRG-HXUWFJFHSA-N 1 1 435.881 4.540 20 0 IJADMO Clc1ccc(C[NH+]2CCCC2)c(N2C[C@@H]3C[C@@H](c4nc(C5CC5)cs4)O[C@@H]3C2)n1 ZINC001164645178 719289248 /nfs/dbraw/zinc/28/92/48/719289248.db2.gz DDLVQTMYMOREQN-YTQUADARSA-N 1 1 431.005 4.631 20 0 IJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncnc3scc(-c4cccs4)c31)CC2 ZINC001164649079 719308810 /nfs/dbraw/zinc/30/88/10/719308810.db2.gz TYFOCIFUEFKHIP-UHFFFAOYSA-N 1 1 438.626 4.822 20 0 IJADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nccc4c(Cl)cccc42)CC3)cc1 ZINC001164672153 719506070 /nfs/dbraw/zinc/50/60/70/719506070.db2.gz GDKNAERHDKRUTR-UHFFFAOYSA-N 1 1 425.935 4.899 20 0 IJADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nccc4c(Cl)cccc42)CC3)cc1 ZINC001164672153 719506078 /nfs/dbraw/zinc/50/60/78/719506078.db2.gz GDKNAERHDKRUTR-UHFFFAOYSA-N 1 1 425.935 4.899 20 0 IJADMO Cc1c[nH]c2nc(Cl)cc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c12 ZINC001164674000 719521676 /nfs/dbraw/zinc/52/16/76/719521676.db2.gz YABLTRVOYZJRMO-UHFFFAOYSA-N 1 1 428.939 4.535 20 0 IJADMO Cc1c[nH]c2nc(Cl)cc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c12 ZINC001164674000 719521684 /nfs/dbraw/zinc/52/16/84/719521684.db2.gz YABLTRVOYZJRMO-UHFFFAOYSA-N 1 1 428.939 4.535 20 0 IJADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164691170 719803736 /nfs/dbraw/zinc/80/37/36/719803736.db2.gz DZMJVZMAGCCMGZ-UHFFFAOYSA-N 1 1 449.020 4.620 20 0 IJADMO Cc1ccc(Cl)nc1C(F)(F)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164697671 719894295 /nfs/dbraw/zinc/89/42/95/719894295.db2.gz MYTJJEBLBAWIJI-UHFFFAOYSA-N 1 1 427.948 4.521 20 0 IJADMO CC(C)n1ccc2c1nc(Cl)nc2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164699087 719897046 /nfs/dbraw/zinc/89/70/46/719897046.db2.gz XAARWVSPWNTIGD-UHFFFAOYSA-N 1 1 446.020 4.599 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1c(Cl)nc(Cl)c(Cl)c1Cl)C2 ZINC001164805864 720094106 /nfs/dbraw/zinc/09/41/06/720094106.db2.gz AEOLGCVWJNRXIW-XIKOKIGWSA-N 1 1 439.214 4.880 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cccc3ccnc(Cl)c31)C2 ZINC001164811092 720133858 /nfs/dbraw/zinc/13/38/58/720133858.db2.gz LIMBKKRJORUWTF-XMSQKQJNSA-N 1 1 435.946 4.618 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccsc3)nc3ccccc31)C2 ZINC001164819396 720171757 /nfs/dbraw/zinc/17/17/57/720171757.db2.gz WUHUFQLPSFKPEP-CJFMBICVSA-N 1 1 434.609 4.543 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3c(ccnc3Cl)c1)C2 ZINC001164812455 720183336 /nfs/dbraw/zinc/18/33/36/720183336.db2.gz AUMHPAYAUFSQAT-SIKLNZKXSA-N 1 1 435.946 4.618 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3Cl)nc(C)c1C)C2 ZINC001164815579 720183537 /nfs/dbraw/zinc/18/35/37/720183537.db2.gz IJRQEBZLTHTYSO-NBGIEHNGSA-N 1 1 441.019 4.599 20 0 IJADMO Clc1cc2nc(Cl)c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc2cc1Cl ZINC001164721324 720359373 /nfs/dbraw/zinc/35/93/73/720359373.db2.gz BSWFRBRDBJPCOX-MSOLQXFVSA-N 1 1 434.758 4.838 20 0 IJADMO Clc1cc2nc(Cl)c(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc2cc1Cl ZINC001164721324 720359378 /nfs/dbraw/zinc/35/93/78/720359378.db2.gz BSWFRBRDBJPCOX-MSOLQXFVSA-N 1 1 434.758 4.838 20 0 IJADMO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724503 720359997 /nfs/dbraw/zinc/35/99/97/720359997.db2.gz KKNCTJDQHUZYHK-SFTDATJTSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724503 720360003 /nfs/dbraw/zinc/36/00/03/720360003.db2.gz KKNCTJDQHUZYHK-SFTDATJTSA-N 1 1 441.913 4.590 20 0 IJADMO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164726563 720399440 /nfs/dbraw/zinc/39/94/40/720399440.db2.gz POPGBFZQGJYNAQ-RPBOFIJWSA-N 1 1 439.538 4.993 20 0 IJADMO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727656 720404728 /nfs/dbraw/zinc/40/47/28/720404728.db2.gz RDEGAJNUKYTWLV-RBUKOAKNSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164727656 720404730 /nfs/dbraw/zinc/40/47/30/720404730.db2.gz RDEGAJNUKYTWLV-RBUKOAKNSA-N 1 1 441.913 4.590 20 0 IJADMO Cc1sc2ncnc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1-c1ccccc1 ZINC001164734418 720439376 /nfs/dbraw/zinc/43/93/76/720439376.db2.gz RZARAGGDWQJEJF-LEWJYISDSA-N 1 1 427.577 4.915 20 0 IJADMO Fc1ccc(-c2nc(Cl)cc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)cc1Cl ZINC001164724423 720471167 /nfs/dbraw/zinc/47/11/67/720471167.db2.gz GGPXPTPQUCUZHE-MOPGFXCFSA-N 1 1 444.341 4.838 20 0 IJADMO Clc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726272 720477810 /nfs/dbraw/zinc/47/78/10/720477810.db2.gz KYQAVNZZYXTPQY-ZWKOTPCHSA-N 1 1 442.350 4.824 20 0 IJADMO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164731574 720479210 /nfs/dbraw/zinc/47/92/10/720479210.db2.gz WNQPHKLRFZJFTC-LEWJYISDSA-N 1 1 435.959 4.733 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4c(Cl)cccc43)CC[C@@H]21 ZINC001164833624 720535332 /nfs/dbraw/zinc/53/53/32/720535332.db2.gz AYEXXOZDZRHPBG-GJYPPUQNSA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3c(Cl)ccc4c(Cl)ncnc43)CC[C@@H]21 ZINC001164839127 720647405 /nfs/dbraw/zinc/64/74/05/720647405.db2.gz IROWWFKWAAXLRS-BXWFABGCSA-N 1 1 445.398 4.511 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1ccnc(Cl)c1F)CC2 ZINC001164840563 720664070 /nfs/dbraw/zinc/66/40/70/720664070.db2.gz NNWZAZLIEKORON-QGZVFWFLSA-N 1 1 439.909 4.679 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nnc(Cl)c3ccsc31)CC2 ZINC001164839154 720675568 /nfs/dbraw/zinc/67/55/68/720675568.db2.gz IVQPMTQAKRUUEM-KRWDZBQOSA-N 1 1 428.989 4.605 20 0 IJADMO Cc1nc2cc(Cl)ccc2c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164840403 720691899 /nfs/dbraw/zinc/69/18/99/720691899.db2.gz DLZQBEVHOYTYKC-OAQYLSRUSA-N 1 1 436.987 4.852 20 0 IJADMO Cc1nc2cc(Cl)ccc2c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164840400 720692170 /nfs/dbraw/zinc/69/21/70/720692170.db2.gz DLZQBEVHOYTYKC-NRFANRHFSA-N 1 1 436.987 4.852 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)cc(C(C)(C)C)n1)CC2 ZINC001164840289 720706237 /nfs/dbraw/zinc/70/62/37/720706237.db2.gz ONRAYRRAECLFTN-LJQANCHMSA-N 1 1 429.008 4.687 20 0 IJADMO Cc1nc2sc3c(c2c(N2CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC2)n1)CCC3 ZINC001164836906 720711511 /nfs/dbraw/zinc/71/15/11/720711511.db2.gz BRLIRMHGAACXLU-HXUWFJFHSA-N 1 1 448.636 4.748 20 0 IJADMO Clc1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164755450 720870493 /nfs/dbraw/zinc/87/04/93/720870493.db2.gz WZEXVGQDPBUHCZ-XXBNENTESA-N 1 1 447.410 4.539 20 0 IJADMO Clc1ccnc(Cl)c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749814 720887614 /nfs/dbraw/zinc/88/76/14/720887614.db2.gz ASDCXBVLYKOYGX-AUSIDOKSSA-N 1 1 447.410 4.539 20 0 IJADMO Fc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2ccccc12 ZINC001164756938 720891906 /nfs/dbraw/zinc/89/19/06/720891906.db2.gz SLEBRYLKDOEZHF-AJTFRIOCSA-N 1 1 446.570 4.524 20 0 IJADMO Cc1cc(Cl)c(C)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758830 720897080 /nfs/dbraw/zinc/89/70/80/720897080.db2.gz ZSTWLMDBAXICQK-DHLKQENFSA-N 1 1 441.019 4.502 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc3ccccc3nc1N1CCCC[C@@H]1C)[C@H]2C ZINC001164861837 721001028 /nfs/dbraw/zinc/00/10/28/721001028.db2.gz QYJBFTXRYBKKAU-PMACEKPBSA-N 1 1 447.631 4.627 20 0 IJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4cc(Cl)ccc4n3)C2)C1 ZINC001164776626 721337015 /nfs/dbraw/zinc/33/70/15/721337015.db2.gz HGYSUSPSRJTIJO-DEOSSOPVSA-N 1 1 440.975 4.612 20 0 IJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nccc4c(Cl)cccc43)C2)C1 ZINC001164777673 721348768 /nfs/dbraw/zinc/34/87/68/721348768.db2.gz HMPCXXJVEBUIDV-XMMPIXPASA-N 1 1 440.975 4.612 20 0 IJADMO Cc1ccc(-c2nc3ccccc3c(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)n2)s1 ZINC001164790299 721430078 /nfs/dbraw/zinc/43/00/78/721430078.db2.gz XMMMRNJFFPYPJU-IRXDYDNUSA-N 1 1 433.606 4.691 20 0 IJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccccc3)cc(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164799175 721552327 /nfs/dbraw/zinc/55/23/27/721552327.db2.gz BANXTYSBUVTGCE-FBLLAGFSSA-N 1 1 434.971 4.665 20 0 IJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2-c2ccccc2)[C@@H]2CCCO[C@H]21 ZINC001164799115 721552456 /nfs/dbraw/zinc/55/24/56/721552456.db2.gz ASWZVVXCRJXAPG-CQOQZXRMSA-N 1 1 434.971 4.665 20 0 IJADMO Fc1ccc2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164904052 721587203 /nfs/dbraw/zinc/58/72/03/721587203.db2.gz CQAWUOARVDIAOW-OAQYLSRUSA-N 1 1 447.892 4.555 20 0 IJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(Cl)ccc(Cl)c3n2)[C@@H]2CCCO[C@H]12 ZINC001164811963 721588794 /nfs/dbraw/zinc/58/87/94/721588794.db2.gz ZDWRFTJMNGAPDL-VIZSFHNOSA-N 1 1 443.378 4.805 20 0 IJADMO Cc1c[nH]c2nc(Cl)cc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12 ZINC001164906497 721721886 /nfs/dbraw/zinc/72/18/86/721721886.db2.gz MJEQDSIIGKXNSD-OAQYLSRUSA-N 1 1 431.918 4.657 20 0 IJADMO Cc1ccc(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)cc1 ZINC001164908953 721722507 /nfs/dbraw/zinc/72/25/07/721722507.db2.gz ZWPYDNDOKIFWQT-DEOSSOPVSA-N 1 1 435.522 4.585 20 0 IJADMO Cc1ccc(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)cc1 ZINC001164908954 721722737 /nfs/dbraw/zinc/72/27/37/721722737.db2.gz ZWPYDNDOKIFWQT-XMMPIXPASA-N 1 1 435.522 4.585 20 0 IJADMO Cc1cc2c(nc(Cl)nc2N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)s1 ZINC001164907994 721751220 /nfs/dbraw/zinc/75/12/20/721751220.db2.gz FUSFBHXQPPQPLK-UHFFFAOYSA-N 1 1 439.972 4.836 20 0 IJADMO Cc1cc2c(nc(Cl)nc2N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)s1 ZINC001164907994 721751225 /nfs/dbraw/zinc/75/12/25/721751225.db2.gz FUSFBHXQPPQPLK-UHFFFAOYSA-N 1 1 439.972 4.836 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1OCc1ccccc1)C2 ZINC001164909551 721761251 /nfs/dbraw/zinc/76/12/51/721761251.db2.gz BYOGVTGJPKVCEH-UHFFFAOYSA-N 1 1 440.547 4.843 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1OCc1ccccc1)C2 ZINC001164909551 721761255 /nfs/dbraw/zinc/76/12/55/721761255.db2.gz BYOGVTGJPKVCEH-UHFFFAOYSA-N 1 1 440.547 4.843 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3c(F)cccc3F)nn1)C2 ZINC001164911796 721762881 /nfs/dbraw/zinc/76/28/81/721762881.db2.gz SAPICVQCCPQRBU-UHFFFAOYSA-N 1 1 447.489 4.605 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3c(F)cccc3F)nn1)C2 ZINC001164911796 721762887 /nfs/dbraw/zinc/76/28/87/721762887.db2.gz SAPICVQCCPQRBU-UHFFFAOYSA-N 1 1 447.489 4.605 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3CCCCC4)C[C@H]21 ZINC001165024205 721810405 /nfs/dbraw/zinc/81/04/05/721810405.db2.gz JPUNRGKIOACKGE-UCNVEGJOSA-N 1 1 426.008 4.531 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc(Cc4ccccc4)n3)C[C@H]21 ZINC001165028934 721819943 /nfs/dbraw/zinc/81/99/43/721819943.db2.gz YCWJJFFDPGKWEX-TUACAJSNSA-N 1 1 448.014 4.853 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(C4CC4)nnc3Cl)C[C@H]21 ZINC001165028985 721824691 /nfs/dbraw/zinc/82/46/91/721824691.db2.gz WCVLGXZKWNEUHZ-HGHGUNKESA-N 1 1 447.961 4.684 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc(Oc4ccc(F)cc4)n3)C[C@H]21 ZINC001165027553 721826227 /nfs/dbraw/zinc/82/62/27/721826227.db2.gz SPQKRJDLRWHWMJ-CDNPAEQRSA-N 1 1 433.531 4.540 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3OCc3ccc(F)cc3)C[C@H]21 ZINC001165025081 721826832 /nfs/dbraw/zinc/82/68/32/721826832.db2.gz LNZZFFRJMAEYBF-NQHRYMMQSA-N 1 1 446.570 4.932 20 0 IJADMO Cc1cc(-c2cccc(F)c2)nnc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025342 721830160 /nfs/dbraw/zinc/83/01/60/721830160.db2.gz MUNUAQLNTCLVPZ-GRYUFTJMSA-N 1 1 431.559 4.723 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4ccnc(Cl)c4F)CC3)C2)cc1 ZINC001164938651 721920998 /nfs/dbraw/zinc/92/09/98/721920998.db2.gz QBABQUZENGSIIM-UHFFFAOYSA-N 1 1 439.909 4.599 20 0 IJADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC[C@@H](c5ccncc5)C4)c23)C1 ZINC001165040666 721929019 /nfs/dbraw/zinc/92/90/19/721929019.db2.gz ICLMQCKZBGTHHN-IEBWSBKVSA-N 1 1 433.625 4.801 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4c(Cl)nc(Cl)nc4C4CC4)CC3)C2)cc1 ZINC001164943984 721933299 /nfs/dbraw/zinc/93/32/99/721933299.db2.gz QKYXQKXTIHTWCR-UHFFFAOYSA-N 1 1 447.410 4.841 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nnc(-c5cccc(F)c5)cc4C)CC3)C2)cc1 ZINC001164944796 721933361 /nfs/dbraw/zinc/93/33/61/721933361.db2.gz UIYWMKWKYQAIKC-UHFFFAOYSA-N 1 1 446.570 4.771 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)nc1 ZINC001164948310 721968063 /nfs/dbraw/zinc/96/80/63/721968063.db2.gz SYGSRHVIEGPIEW-FULLSBAXSA-N 1 1 446.639 4.788 20 0 IJADMO FC(F)(c1cc(Cl)cnc1Cl)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164954169 722013350 /nfs/dbraw/zinc/01/33/50/722013350.db2.gz JNVPKGIIJKUFPQ-UHFFFAOYSA-N 1 1 427.326 4.821 20 0 IJADMO Fc1cccc2c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)cc(Cl)nc12 ZINC001164963584 722061807 /nfs/dbraw/zinc/06/18/07/722061807.db2.gz BMWZYUHWDSRYRU-UHFFFAOYSA-N 1 1 440.950 4.541 20 0 IJADMO CSc1nc(Cl)cc(C(F)(F)N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993928 722193307 /nfs/dbraw/zinc/19/33/07/722193307.db2.gz JMGXQELBAQEMGO-IBGZPJMESA-N 1 1 442.938 4.781 20 0 IJADMO CSc1nc(Cl)cc(C(F)(F)N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993928 722193308 /nfs/dbraw/zinc/19/33/08/722193308.db2.gz JMGXQELBAQEMGO-IBGZPJMESA-N 1 1 442.938 4.781 20 0 IJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncnc3scc(-c4ccccc4)c31)CC2 ZINC001164649700 719309080 /nfs/dbraw/zinc/30/90/80/719309080.db2.gz WKABCUGQECTROL-UHFFFAOYSA-N 1 1 432.597 4.760 20 0 IJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cc3ccccc3nc1Cl)CC2 ZINC001164647473 719312707 /nfs/dbraw/zinc/31/27/07/719312707.db2.gz BQXUSSWZPXSPHI-UHFFFAOYSA-N 1 1 433.934 4.835 20 0 IJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncc(OCc3ccccc3)cc1Cl)CC2 ZINC001164651354 719314118 /nfs/dbraw/zinc/31/41/18/719314118.db2.gz JOQVZCAAHUDDKI-UHFFFAOYSA-N 1 1 439.991 4.716 20 0 IJADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc(Cl)nc4ccccc42)CC3)cc1 ZINC001164667962 719493065 /nfs/dbraw/zinc/49/30/65/719493065.db2.gz NBQJGHVYIOSROH-UHFFFAOYSA-N 1 1 425.935 4.899 20 0 IJADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc(Cl)nc4ccccc42)CC3)cc1 ZINC001164667962 719493068 /nfs/dbraw/zinc/49/30/68/719493068.db2.gz NBQJGHVYIOSROH-UHFFFAOYSA-N 1 1 425.935 4.899 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nnc(-c4cccc(F)c4)cc2C)CC3)cs1 ZINC001164697877 719816496 /nfs/dbraw/zinc/81/64/96/719816496.db2.gz BKZVYGAORDUFEB-UHFFFAOYSA-N 1 1 437.588 4.991 20 0 IJADMO FC(F)c1nc2ccccc2c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164707932 719899192 /nfs/dbraw/zinc/89/91/92/719899192.db2.gz ZQUDCBQOPMYANV-UHFFFAOYSA-N 1 1 430.524 4.500 20 0 IJADMO CCc1ccc(-c2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nn2)cc1 ZINC001164706315 719899570 /nfs/dbraw/zinc/89/95/70/719899570.db2.gz HNZRJYVOXRENSG-UHFFFAOYSA-N 1 1 434.609 4.639 20 0 IJADMO Cc1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1-c1ccccc1F ZINC001164707546 719906449 /nfs/dbraw/zinc/90/64/49/719906449.db2.gz TXYOJRKFZJRSOZ-UHFFFAOYSA-N 1 1 438.572 4.524 20 0 IJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3cc(Cl)ccc3n1)CC2 ZINC001164710020 720099107 /nfs/dbraw/zinc/09/91/07/720099107.db2.gz FPFIAEOBIQMIEC-QFIPXVFZSA-N 1 1 436.987 4.791 20 0 IJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3c(C)ccc(F)c3cc1C)CC2 ZINC001164716955 720127301 /nfs/dbraw/zinc/12/73/01/720127301.db2.gz MHSRBFXILVKQMB-QFIPXVFZSA-N 1 1 448.586 4.893 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cccc3ccnc(Cl)c31)C2 ZINC001164811089 720133416 /nfs/dbraw/zinc/13/34/16/720133416.db2.gz LIMBKKRJORUWTF-AVRDEDQJSA-N 1 1 435.946 4.618 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc3ccccc3nc1Cl)C2 ZINC001164811623 720142053 /nfs/dbraw/zinc/14/20/53/720142053.db2.gz MZNCHWFFQCRWFD-PGRDOPGGSA-N 1 1 435.946 4.618 20 0 IJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3ccc(C(C)C)cc31)CC2 ZINC001164713102 720143454 /nfs/dbraw/zinc/14/34/54/720143454.db2.gz QXHRXWHOXXLAGQ-QHCPKHFHSA-N 1 1 445.611 4.656 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccc(F)cc3)nc3ccccc31)C2 ZINC001164816040 720168060 /nfs/dbraw/zinc/16/80/60/720168060.db2.gz JYNFYLAJYFDAIH-ZBLYBZFDSA-N 1 1 446.570 4.621 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3sc(C)c(-c4ccccc4)c31)C2 ZINC001164815642 720170817 /nfs/dbraw/zinc/17/08/17/720170817.db2.gz IRKOUCJXFVQXCE-RLWLMLJZSA-N 1 1 448.636 4.851 20 0 IJADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723425 720407694 /nfs/dbraw/zinc/40/76/94/720407694.db2.gz GKWHSAVREDLOCK-QZTJIDSGSA-N 1 1 429.351 4.798 20 0 IJADMO Fc1ccc(-c2csc3ncnc(N4CC[C@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)c23)cc1 ZINC001164728561 720432760 /nfs/dbraw/zinc/43/27/60/720432760.db2.gz FRWYCIZYDBAULR-SFTDATJTSA-N 1 1 431.540 4.746 20 0 IJADMO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732376 720470907 /nfs/dbraw/zinc/47/09/07/720470907.db2.gz ZLZMHIQVDZTKIV-GJZGRUSLSA-N 1 1 432.824 4.547 20 0 IJADMO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732376 720470909 /nfs/dbraw/zinc/47/09/09/720470909.db2.gz ZLZMHIQVDZTKIV-GJZGRUSLSA-N 1 1 432.824 4.547 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4cccc(Cl)c43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835853 720543814 /nfs/dbraw/zinc/54/38/14/720543814.db2.gz IOHDDAIDZWYBBN-JTDSTZFVSA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(SCc4ccccc4)ccn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841583 720619314 /nfs/dbraw/zinc/61/93/14/720619314.db2.gz TXFZHHRFOHWDJM-SONWIMMPSA-N 1 1 447.652 4.948 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cc4cccc(F)c43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836933 720653053 /nfs/dbraw/zinc/65/30/53/720653053.db2.gz AGMHNKOVZSQODW-WSTZPKSXSA-N 1 1 427.955 4.602 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc(Oc3ccccc3)n1)CC2 ZINC001164838116 720675984 /nfs/dbraw/zinc/67/59/84/720675984.db2.gz FDHOMTNBWRTWMW-QFIPXVFZSA-N 1 1 430.552 4.529 20 0 IJADMO CSc1nc2ccccc2c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164844447 720695211 /nfs/dbraw/zinc/69/52/11/720695211.db2.gz SCTNGCLOFNUCSW-HXUWFJFHSA-N 1 1 434.609 4.612 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(C(F)F)nc3ccccc31)CC2 ZINC001164836439 720716634 /nfs/dbraw/zinc/71/66/34/720716634.db2.gz AMHWLEGFOFKULU-IBGZPJMESA-N 1 1 438.522 4.827 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc3nc(Cl)cnc3cc1F)CC2 ZINC001164836939 720717354 /nfs/dbraw/zinc/71/73/54/720717354.db2.gz BXZGUGNEVIQQGM-SFHVURJKSA-N 1 1 440.950 4.682 20 0 IJADMO Cc1cnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1-c1ccccc1F ZINC001164842296 720726318 /nfs/dbraw/zinc/72/63/18/720726318.db2.gz XWNQKBRCEOMIKR-JOCHJYFZSA-N 1 1 446.570 4.851 20 0 IJADMO Fc1cccc2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc12 ZINC001164754891 720902241 /nfs/dbraw/zinc/90/22/41/720902241.db2.gz JMJMECLKHLKIOH-WNCULLNHSA-N 1 1 446.570 4.524 20 0 IJADMO c1ccc(-c2cc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc3ccccc32)cc1 ZINC001164872212 721138215 /nfs/dbraw/zinc/13/82/15/721138215.db2.gz GXEJIDDMZJYSGB-BJKOFHAPSA-N 1 1 436.559 4.777 20 0 IJADMO Clc1cc2nc(Cl)c(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nc2cc1Cl ZINC001164791461 721401712 /nfs/dbraw/zinc/40/17/12/721401712.db2.gz YQHFTYYAVBYKRZ-GHMZBOCLSA-N 1 1 440.787 4.615 20 0 IJADMO CCc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164781409 721436875 /nfs/dbraw/zinc/43/68/75/721436875.db2.gz DMSVBWASZQULKO-IRXDYDNUSA-N 1 1 441.988 4.509 20 0 IJADMO CCc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)cc1 ZINC001164788921 721437936 /nfs/dbraw/zinc/43/79/36/721437936.db2.gz UHCBSRBTFHGAAE-IRXDYDNUSA-N 1 1 441.988 4.509 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)ccc1CN1CCCC1)CC2 ZINC001164791550 721496638 /nfs/dbraw/zinc/49/66/38/721496638.db2.gz DMFJFSJHBUBHCS-UHFFFAOYSA-N 1 1 440.035 4.607 20 0 IJADMO COc1cccc2nc(Cl)nc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c21 ZINC001164791940 721496754 /nfs/dbraw/zinc/49/67/54/721496754.db2.gz FPELVONKOLPOGB-UHFFFAOYSA-N 1 1 437.975 4.568 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cncc(Oc3cccc(F)c3)n1)CC2 ZINC001164795461 721497635 /nfs/dbraw/zinc/49/76/35/721497635.db2.gz HWDYVUFZKZDGKC-UHFFFAOYSA-N 1 1 433.531 4.684 20 0 IJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccccc3)cc(Cl)n2)[C@@H]2CCCO[C@H]21 ZINC001164799179 721552719 /nfs/dbraw/zinc/55/27/19/721552719.db2.gz BANXTYSBUVTGCE-TZBSWOFLSA-N 1 1 434.971 4.665 20 0 IJADMO Cc1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc(Cl)n1 ZINC001164904874 721584845 /nfs/dbraw/zinc/58/48/45/721584845.db2.gz HDNPKAFOWVRYNX-LJQANCHMSA-N 1 1 442.888 4.721 20 0 IJADMO Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(-c2cccs2)n1 ZINC001164910534 721728210 /nfs/dbraw/zinc/72/82/10/721728210.db2.gz FSKMMOCAVZFHSP-JOCHJYFZSA-N 1 1 441.551 4.646 20 0 IJADMO Cc1ccc(C)c(-c2ccc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nn2)c1 ZINC001164910567 721761560 /nfs/dbraw/zinc/76/15/60/721761560.db2.gz IKILQXNVNUABGB-UHFFFAOYSA-N 1 1 439.563 4.943 20 0 IJADMO Cc1ccc(C)c(-c2ccc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nn2)c1 ZINC001164910567 721761566 /nfs/dbraw/zinc/76/15/66/721761566.db2.gz IKILQXNVNUABGB-UHFFFAOYSA-N 1 1 439.563 4.943 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4cccc(F)c43)C[C@H]21 ZINC001165025861 721808159 /nfs/dbraw/zinc/80/81/59/721808159.db2.gz PPFHFLCJACYDMG-WRWLIDTKSA-N 1 1 425.939 4.554 20 0 IJADMO CSc1nc2ccsc2c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165022696 721810029 /nfs/dbraw/zinc/81/00/29/721810029.db2.gz GTSUHKQHJXBZMP-KVSKMBFKSA-N 1 1 425.627 4.545 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)C[C@H]21 ZINC001165024156 721812306 /nfs/dbraw/zinc/81/23/06/721812306.db2.gz JEGNOFRUIFCCSY-QKYXUNIQSA-N 1 1 445.945 4.893 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc(Oc4cccc(F)c4)n3)C[C@@H]21 ZINC001165027425 721820531 /nfs/dbraw/zinc/82/05/31/721820531.db2.gz URQWLQUTDARNFU-OFAXGOBFSA-N 1 1 433.531 4.540 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)C[C@@H]21 ZINC001165026875 721820791 /nfs/dbraw/zinc/82/07/91/721820791.db2.gz RXQCGFQRZBGEPA-YTQUADARSA-N 1 1 445.945 4.893 20 0 IJADMO Cc1nc2sc3c(c2c(N2C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C2)n1)CCC3 ZINC001165025667 721823056 /nfs/dbraw/zinc/82/30/56/721823056.db2.gz NJRINTJTXTVVJJ-DZFGPLHGSA-N 1 1 433.625 4.620 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3OCc3ccccc3)C[C@H]21 ZINC001165019722 721823177 /nfs/dbraw/zinc/82/31/77/721823177.db2.gz BIFGLZNSHJTKKL-QLBJFCOMSA-N 1 1 428.580 4.793 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4cccc(Cl)c4)nn3)C[C@@H]21 ZINC001165019862 721824354 /nfs/dbraw/zinc/82/43/54/721824354.db2.gz CIAYFIGZGCDZLV-NGYIFUPDSA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4cccc(Cl)c4)ncn3)C[C@@H]21 ZINC001165023222 721825357 /nfs/dbraw/zinc/82/53/57/721825357.db2.gz IIDQCTLXZWSEFL-WNOPAQSVSA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4c(F)cccc4F)nn3)C[C@H]21 ZINC001165027035 721826675 /nfs/dbraw/zinc/82/66/75/721826675.db2.gz REZIPZSHENVBEW-GEQKSPFYSA-N 1 1 435.522 4.554 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(C(F)F)nc4ccc(F)cc43)C[C@H]21 ZINC001165025085 721829256 /nfs/dbraw/zinc/82/92/56/721829256.db2.gz LOMPPFWHQVFJLC-NYSBEXSLSA-N 1 1 441.501 4.838 20 0 IJADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cnc(Cl)c(F)c2)CC1 ZINC001165023390 721840161 /nfs/dbraw/zinc/84/01/61/721840161.db2.gz WHCGIVNIVOAPML-UHFFFAOYSA-N 1 1 443.897 4.537 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc5cc(C)ccc54)CC3)C2)cc1 ZINC001164938973 721926686 /nfs/dbraw/zinc/92/66/86/721926686.db2.gz FFSDLBPXEVYHAS-UHFFFAOYSA-N 1 1 436.987 4.771 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(-c5cc(C)ccc5C)nn4)CC3)C2)cc1 ZINC001164938625 721931732 /nfs/dbraw/zinc/93/17/32/721931732.db2.gz BQHGTSAJSXKWHU-UHFFFAOYSA-N 1 1 442.607 4.940 20 0 IJADMO FC(F)(c1ccc(Cl)c(Cl)n1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164952950 722017903 /nfs/dbraw/zinc/01/79/03/722017903.db2.gz PLUVGRHPRWATDE-UHFFFAOYSA-N 1 1 427.326 4.821 20 0 IJADMO Clc1ccc2c(Cl)nnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164960576 722023270 /nfs/dbraw/zinc/02/32/70/722023270.db2.gz KXINOZUTAFGUBX-UHFFFAOYSA-N 1 1 428.367 4.824 20 0 IJADMO Fc1ccc2cc(Cl)nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2c1 ZINC001164963860 722054544 /nfs/dbraw/zinc/05/45/44/722054544.db2.gz OOZWQOCGNGWFTQ-UHFFFAOYSA-N 1 1 440.950 4.541 20 0 IJADMO Cc1cccc2cc(Cl)nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c12 ZINC001164963764 722061824 /nfs/dbraw/zinc/06/18/24/722061824.db2.gz CWKVQESXQDAWHD-UHFFFAOYSA-N 1 1 436.987 4.711 20 0 IJADMO CC[N@@H+]1CCC[C@H]1CNCc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000022936017 557052621 /nfs/dbraw/zinc/05/26/21/557052621.db2.gz WPWCZTCPVJVLRR-IBGZPJMESA-N 1 1 433.390 4.611 20 0 IJADMO CC[N@H+]1CCC[C@H]1CNCc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000022936017 557052625 /nfs/dbraw/zinc/05/26/25/557052625.db2.gz WPWCZTCPVJVLRR-IBGZPJMESA-N 1 1 433.390 4.611 20 0 IJADMO O[C@H](CCN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000019360477 563022537 /nfs/dbraw/zinc/02/25/37/563022537.db2.gz PSBXDOYFPJDNNH-HHHXNRCGSA-N 1 1 430.592 4.534 20 0 IJADMO CCn1c(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)nc2ccccc21 ZINC000249694290 568634853 /nfs/dbraw/zinc/63/48/53/568634853.db2.gz OUOWYCXRVAUWFZ-UHFFFAOYSA-N 1 1 441.373 4.669 20 0 IJADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4C[C@@H]5CC(F)(F)[C@@H]5C4)c23)C1 ZINC001164410987 718870889 /nfs/dbraw/zinc/87/08/89/718870889.db2.gz KSGUJYKVMKHMNG-HLLBOEOZSA-N 1 1 432.584 4.893 20 0 IJADMO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164622540 719092962 /nfs/dbraw/zinc/09/29/62/719092962.db2.gz CBIDAYPVDRIUMW-HZPDHXFCSA-N 1 1 427.326 4.515 20 0 IJADMO O=c1[nH]c2ccccc2n1C1CCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001164621130 719128047 /nfs/dbraw/zinc/12/80/47/719128047.db2.gz LBDUOOZCDAQZSA-UHFFFAOYSA-N 1 1 439.563 4.537 20 0 IJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cccc3c(Cl)nccc31)CC2 ZINC001164650015 719313607 /nfs/dbraw/zinc/31/36/07/719313607.db2.gz AFJFYYMKIIHHFG-UHFFFAOYSA-N 1 1 433.934 4.835 20 0 IJADMO COc1ccc2nc(Cl)nc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c2c1 ZINC001164690846 719803576 /nfs/dbraw/zinc/80/35/76/719803576.db2.gz AWEZPUPZVLVLJJ-UHFFFAOYSA-N 1 1 444.004 4.692 20 0 IJADMO CSc1nc2sccc2c(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164693246 719804686 /nfs/dbraw/zinc/80/46/86/719804686.db2.gz RACSBBZBGIXWJV-UHFFFAOYSA-N 1 1 431.656 4.813 20 0 IJADMO COc1ccc2nc(Cl)cc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c2n1 ZINC001164693875 719809958 /nfs/dbraw/zinc/80/99/58/719809958.db2.gz RYHGBLNPUZENCF-UHFFFAOYSA-N 1 1 444.004 4.692 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nnc(-c4ccccc4F)cc2C)CC3)cs1 ZINC001164701660 719816325 /nfs/dbraw/zinc/81/63/25/719816325.db2.gz PSXYOBFYEBLTPB-UHFFFAOYSA-N 1 1 437.588 4.991 20 0 IJADMO COc1cc2ccnc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c2cc1F ZINC001164703416 719816653 /nfs/dbraw/zinc/81/66/53/719816653.db2.gz VHNKUTIDTBIAOQ-UHFFFAOYSA-N 1 1 426.561 4.782 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2c(F)ccc4c(Cl)ncnc42)CC3)cs1 ZINC001164703140 719817157 /nfs/dbraw/zinc/81/71/57/719817157.db2.gz ULXLCSJQZLDIHR-UHFFFAOYSA-N 1 1 431.968 4.822 20 0 IJADMO FC(F)(c1cc(Cl)ncc1Cl)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164695002 719887515 /nfs/dbraw/zinc/88/75/15/719887515.db2.gz IYERBOZCJTUCLO-UHFFFAOYSA-N 1 1 448.366 4.866 20 0 IJADMO Clc1cc2c(Cl)ccnc2c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164696080 719892050 /nfs/dbraw/zinc/89/20/50/719892050.db2.gz WHMMOSLCTOXJND-UHFFFAOYSA-N 1 1 449.407 4.870 20 0 IJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3ccccc31)CC2 ZINC001164711485 720092255 /nfs/dbraw/zinc/09/22/55/720092255.db2.gz PWCBZXPSYZMVQA-FQEVSTJZSA-N 1 1 436.987 4.791 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nnc(-c3ccc(C)cc3)c3ccccc31)C2 ZINC001164813631 720161869 /nfs/dbraw/zinc/16/18/69/720161869.db2.gz CWIHYIQDHZKGLZ-FIPFOOKPSA-N 1 1 442.607 4.790 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nnc(-c3ccc(C)cc3)c3ccccc31)C2 ZINC001164813638 720162335 /nfs/dbraw/zinc/16/23/35/720162335.db2.gz CWIHYIQDHZKGLZ-QDPGVEIFSA-N 1 1 442.607 4.790 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nnc(-c3ccc(F)cc3)c3ccccc31)C2 ZINC001164813709 720170838 /nfs/dbraw/zinc/17/08/38/720170838.db2.gz DRZRZGJHQPJRSA-JIPXPUAJSA-N 1 1 446.570 4.621 20 0 IJADMO Fc1ccc2nc(-c3ccccc3F)nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164729092 720359109 /nfs/dbraw/zinc/35/91/09/720359109.db2.gz WPVUWFTZUWCWAF-BJKOFHAPSA-N 1 1 443.501 4.823 20 0 IJADMO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164735063 720438436 /nfs/dbraw/zinc/43/84/36/720438436.db2.gz VMDNBALHRVPUIK-RTWAWAEBSA-N 1 1 442.592 4.618 20 0 IJADMO Cc1nc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164728193 720470521 /nfs/dbraw/zinc/47/05/21/720470521.db2.gz NWDWAGDZBNJJRA-DNQXCXABSA-N 1 1 433.987 4.586 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4ccc(Cl)cc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834445 720507579 /nfs/dbraw/zinc/50/75/79/720507579.db2.gz GNFMXMSOLIVYHX-RIFZZMRRSA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc4nc(Cl)cnc4cc3Cl)CC[C@@H]21 ZINC001164836833 720534326 /nfs/dbraw/zinc/53/43/26/720534326.db2.gz LGVHRZVDMWQPII-GUXCAODWSA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4cccc(Cl)c43)CC[C@@H]21 ZINC001164835852 720543217 /nfs/dbraw/zinc/54/32/17/720543217.db2.gz IOHDDAIDZWYBBN-GJYPPUQNSA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(F)cc4ccc(Cl)nc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836389 720547173 /nfs/dbraw/zinc/54/71/73/720547173.db2.gz JWCWSABWOQTFRF-YSIASYRMSA-N 1 1 427.955 4.602 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(Oc3ccccc3)ncn1)CC2 ZINC001164837022 720670010 /nfs/dbraw/zinc/67/00/10/720670010.db2.gz ATNAMXNMOLBZCW-JOCHJYFZSA-N 1 1 430.552 4.529 20 0 IJADMO Cc1cc(Cl)nc(C(F)(F)N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164845247 720697502 /nfs/dbraw/zinc/69/75/02/720697502.db2.gz XFXCKISARBLFBV-IBGZPJMESA-N 1 1 435.946 4.848 20 0 IJADMO COc1ccc2c(C)cc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nc2c1 ZINC001164843702 720699443 /nfs/dbraw/zinc/69/94/43/720699443.db2.gz QNNMNSXSKCEKJA-JOCHJYFZSA-N 1 1 431.580 4.812 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc(Oc3ccc(F)cc3)n1)CC2 ZINC001164842293 720716301 /nfs/dbraw/zinc/71/63/01/720716301.db2.gz XUEVIJYGAMCCAF-QFIPXVFZSA-N 1 1 448.542 4.668 20 0 IJADMO Cc1cccc2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc12 ZINC001164753398 720868961 /nfs/dbraw/zinc/86/89/61/720868961.db2.gz PGXQYSSIJUBBHP-LSYYVWMOSA-N 1 1 442.607 4.693 20 0 IJADMO Cc1cc2ccccc2nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747213 720879977 /nfs/dbraw/zinc/87/99/77/720879977.db2.gz ANLKROILCHSLBS-NAKRPHOHSA-N 1 1 442.607 4.693 20 0 IJADMO Clc1ccc(Cl)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164750875 720883388 /nfs/dbraw/zinc/88/33/88/720883388.db2.gz CCNBIIZTZFGZML-WMZHIEFXSA-N 1 1 447.410 4.539 20 0 IJADMO Fc1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2c1 ZINC001164754582 720885578 /nfs/dbraw/zinc/88/55/78/720885578.db2.gz JLVIIDKOWHSCSD-WNCULLNHSA-N 1 1 446.570 4.524 20 0 IJADMO Fc1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2c1 ZINC001164754584 720885804 /nfs/dbraw/zinc/88/58/04/720885804.db2.gz JLVIIDKOWHSCSD-YIXXDRMTSA-N 1 1 446.570 4.524 20 0 IJADMO Cc1nc(Cl)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C ZINC001164752631 720893203 /nfs/dbraw/zinc/89/32/03/720893203.db2.gz FNUPUFYEYSJQMC-DHLKQENFSA-N 1 1 441.019 4.502 20 0 IJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4ccsc43)C2)C1 ZINC001164776753 721345482 /nfs/dbraw/zinc/34/54/82/721345482.db2.gz CRCCAJWEOIURJR-JOCHJYFZSA-N 1 1 447.004 4.674 20 0 IJADMO Fc1ccc2nc(-c3ccccc3F)nc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164789179 721400689 /nfs/dbraw/zinc/40/06/89/721400689.db2.gz UAQCGBQCUPFXFN-HZPDHXFCSA-N 1 1 449.530 4.600 20 0 IJADMO Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164783831 721415302 /nfs/dbraw/zinc/41/53/02/721415302.db2.gz JGUBYNKUTYUXHU-ROUUACIJSA-N 1 1 447.995 4.975 20 0 IJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3cccc(Cl)c3n1)CC2 ZINC001164786655 721457402 /nfs/dbraw/zinc/45/74/02/721457402.db2.gz OXDYBXQCBWKWBA-OAQYLSRUSA-N 1 1 444.019 4.622 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cnc(Cl)nc1Cl)CC2 ZINC001164792769 721489702 /nfs/dbraw/zinc/48/97/02/721489702.db2.gz LRBLNDDWMJKCIX-UHFFFAOYSA-N 1 1 442.341 4.604 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1nc(Cl)cc(Cl)n1)CC2 ZINC001164793547 721491176 /nfs/dbraw/zinc/49/11/76/721491176.db2.gz SLVPLSPBDXLMLM-UHFFFAOYSA-N 1 1 442.341 4.604 20 0 IJADMO COc1ccc2nc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c(Cl)nc2c1 ZINC001164792301 721493939 /nfs/dbraw/zinc/49/39/39/721493939.db2.gz NQHHETCFYNORRB-UHFFFAOYSA-N 1 1 437.975 4.568 20 0 IJADMO COc1ccc(C(F)(F)N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc1Cl ZINC001164792854 721496734 /nfs/dbraw/zinc/49/67/34/721496734.db2.gz UBKWYRRRYKFLAD-UHFFFAOYSA-N 1 1 436.934 4.565 20 0 IJADMO Fc1c(Cl)nccc1C(F)(F)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164903778 721585279 /nfs/dbraw/zinc/58/52/79/721585279.db2.gz CJMANSADPYUMHH-GOSISDBHSA-N 1 1 446.851 4.552 20 0 IJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)ccc3ccc(Cl)nc32)[C@H]2CCCO[C@@H]12 ZINC001164802644 721588851 /nfs/dbraw/zinc/58/88/51/721588851.db2.gz HMLPMLVBZIYBPV-YCRNBWNJSA-N 1 1 443.378 4.805 20 0 IJADMO FC1(F)CCN(c2nc(Cl)nc3c2CCCCC3)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906604 721701928 /nfs/dbraw/zinc/70/19/28/721701928.db2.gz NOXIFCPRLWPYBL-QFIPXVFZSA-N 1 1 447.961 4.532 20 0 IJADMO Cc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(-c2cccs2)n1 ZINC001164910535 721729249 /nfs/dbraw/zinc/72/92/49/721729249.db2.gz FSKMMOCAVZFHSP-QFIPXVFZSA-N 1 1 441.551 4.646 20 0 IJADMO CCc1ccc(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)cc1 ZINC001164909121 721729265 /nfs/dbraw/zinc/72/92/65/721729265.db2.gz BVXFKFRSHFZSQX-VWLOTQADSA-N 1 1 449.549 4.839 20 0 IJADMO Cc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(-c2ccsc2)n1 ZINC001164909138 721729283 /nfs/dbraw/zinc/72/92/83/721729283.db2.gz CGWBXVAASNMBNV-QFIPXVFZSA-N 1 1 441.551 4.646 20 0 IJADMO Cc1cc(Cl)ncc1C(F)(F)N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164909019 721754556 /nfs/dbraw/zinc/75/45/56/721754556.db2.gz COGNWADCCXXTSF-UHFFFAOYSA-N 1 1 432.902 4.771 20 0 IJADMO Cc1cc(Cl)ncc1C(F)(F)N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164909019 721754563 /nfs/dbraw/zinc/75/45/63/721754563.db2.gz COGNWADCCXXTSF-UHFFFAOYSA-N 1 1 432.902 4.771 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(-c3cccc(Cl)c3)ncn1)C2 ZINC001164911718 721762108 /nfs/dbraw/zinc/76/21/08/721762108.db2.gz RFCXGJMLIDYMFM-UHFFFAOYSA-N 1 1 445.954 4.980 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(-c3cccc(Cl)c3)ncn1)C2 ZINC001164911718 721762112 /nfs/dbraw/zinc/76/21/12/721762112.db2.gz RFCXGJMLIDYMFM-UHFFFAOYSA-N 1 1 445.954 4.980 20 0 IJADMO CC(C)c1ccc2ncnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c2c1 ZINC001164911740 721762244 /nfs/dbraw/zinc/76/22/44/721762244.db2.gz RNCJEKSMSSYVEJ-UHFFFAOYSA-N 1 1 427.552 4.936 20 0 IJADMO CC(C)c1ccc2ncnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c2c1 ZINC001164911740 721762247 /nfs/dbraw/zinc/76/22/47/721762247.db2.gz RNCJEKSMSSYVEJ-UHFFFAOYSA-N 1 1 427.552 4.936 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3ccn4C3CCCC3)C[C@@H]21 ZINC001165022693 721814662 /nfs/dbraw/zinc/81/46/62/721814662.db2.gz GRXCKZBFPYKJAQ-WDJPJFJCSA-N 1 1 430.600 4.678 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc(Oc4cccc(F)c4)n3)C[C@H]21 ZINC001165027428 721820487 /nfs/dbraw/zinc/82/04/87/721820487.db2.gz URQWLQUTDARNFU-SXSPYAJSSA-N 1 1 433.531 4.540 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4[nH]c5ccc(Cl)cc5c43)C[C@@H]21 ZINC001165018738 721821486 /nfs/dbraw/zinc/82/14/86/721821486.db2.gz AAPLBWVOARNIAU-QGCDCVKKSA-N 1 1 446.986 4.896 20 0 IJADMO Cc1ccc(C)c(-c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)c1 ZINC001165027874 721826048 /nfs/dbraw/zinc/82/60/48/721826048.db2.gz UQCGDONHMIHZTO-NZJKTDFXSA-N 1 1 427.596 4.892 20 0 IJADMO CCOc1ccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)cc1 ZINC001165024048 721827205 /nfs/dbraw/zinc/82/72/05/721827205.db2.gz JLBLAMBBSKIHHU-NZJKTDFXSA-N 1 1 443.595 4.674 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(SCc4ccccc4)ncn3)C[C@@H]21 ZINC001165027863 721828116 /nfs/dbraw/zinc/82/81/16/721828116.db2.gz UHYXTBCCMLGFJS-YFNKSVMNSA-N 1 1 445.636 4.901 20 0 IJADMO Cc1cc(-c2ccccc2F)nnc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026059 721830025 /nfs/dbraw/zinc/83/00/25/721830025.db2.gz ODBVIXAOIQYUJC-UWUFEASWSA-N 1 1 431.559 4.723 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccnc(CSc4ccccc4)n3)C[C@@H]21 ZINC001165021470 721830091 /nfs/dbraw/zinc/83/00/91/721830091.db2.gz FTGOBZAPXUNLTK-FGCOXFRFSA-N 1 1 445.636 4.901 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(Cl)nc(Cl)nc3C3CC3)C[C@H]21 ZINC001165028310 721830967 /nfs/dbraw/zinc/83/09/67/721830967.db2.gz VFLDHNPXVWGSHF-CGTJXYLNSA-N 1 1 432.399 4.793 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc5c(F)cccc54)CC3)C2)cc1 ZINC001164938917 721925326 /nfs/dbraw/zinc/92/53/26/721925326.db2.gz BJINDPLWRHSGSI-UHFFFAOYSA-N 1 1 440.950 4.602 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(-c5ccc(C)cc5)nn4)CC3)C2)cc1 ZINC001164938604 721930429 /nfs/dbraw/zinc/93/04/29/721930429.db2.gz AIHPWSNKPCSVJU-UHFFFAOYSA-N 1 1 428.580 4.632 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(-c5cccc(Cl)c5)nn4)CC3)C2)cc1 ZINC001164940659 721930936 /nfs/dbraw/zinc/93/09/36/721930936.db2.gz WDYYQQSTCRCKPO-UHFFFAOYSA-N 1 1 448.998 4.977 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nccc(Oc5ccc(F)cc5)n4)CC3)C2)cc1 ZINC001164939649 721932114 /nfs/dbraw/zinc/93/21/14/721932114.db2.gz NMWUSVAURISBMQ-UHFFFAOYSA-N 1 1 448.542 4.588 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(C(C)C)nc(Cl)c4C)CC3)C2)cc1 ZINC001164941781 721933330 /nfs/dbraw/zinc/93/33/30/721933330.db2.gz IYWLIYVAGSUQBL-UHFFFAOYSA-N 1 1 429.008 4.742 20 0 IJADMO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955683 722020653 /nfs/dbraw/zinc/02/06/53/722020653.db2.gz MYTFJYVVDWTFBY-UHFFFAOYSA-N 1 1 431.918 4.649 20 0 IJADMO Fc1ccc(-c2ccc(Cl)nn2)c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164956064 722022882 /nfs/dbraw/zinc/02/28/82/722022882.db2.gz VYAZTRAQAVEHPC-UHFFFAOYSA-N 1 1 437.950 4.824 20 0 IJADMO Cc1cccc(COC[C@@]23CCCO[C@@H]2CC[N@H+](C(C)(C)c2ccnc(Cl)c2)C3)n1 ZINC001164957959 722027600 /nfs/dbraw/zinc/02/76/00/722027600.db2.gz CKRXQYMLHUEDBO-QPPBQGQZSA-N 1 1 429.992 4.761 20 0 IJADMO Cc1ccc(F)c2cc(C)c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc12 ZINC001164963170 722057879 /nfs/dbraw/zinc/05/78/79/722057879.db2.gz HXCRARJZJKGIST-UHFFFAOYSA-N 1 1 434.559 4.505 20 0 IJADMO Clc1ccc(Cl)c2nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc12 ZINC001164977866 722153157 /nfs/dbraw/zinc/15/31/57/722153157.db2.gz YYDVDEGACKODQX-LAUBAEHRSA-N 1 1 443.378 4.664 20 0 IJADMO O=C(Nc1ccccc1)c1ccnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995609 722200101 /nfs/dbraw/zinc/20/01/01/722200101.db2.gz OOKLYKVVHOGSOR-SANMLTNESA-N 1 1 430.527 4.718 20 0 IJADMO C(c1nc2sc3c(c2c(N2CC[C@@H]4CCCO[C@@H]4C2)n1)CCCC3)[NH+]1CCCCC1 ZINC001164422223 718902666 /nfs/dbraw/zinc/90/26/66/718902666.db2.gz XMKMYTDZZSKSHX-PKOBYXMFSA-N 1 1 426.630 4.561 20 0 IJADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nccc4ccc(Cl)cc42)CC3)cc1 ZINC001164673173 719502997 /nfs/dbraw/zinc/50/29/97/719502997.db2.gz PCLCBPUJMIXZQE-UHFFFAOYSA-N 1 1 425.935 4.899 20 0 IJADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nccc4ccc(Cl)cc42)CC3)cc1 ZINC001164673173 719503000 /nfs/dbraw/zinc/50/30/00/719503000.db2.gz PCLCBPUJMIXZQE-UHFFFAOYSA-N 1 1 425.935 4.899 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc(-c4ccccc4)n2)CC3)cs1 ZINC001164692809 719807318 /nfs/dbraw/zinc/80/73/18/719807318.db2.gz NEVMOOMXYKQSHI-UHFFFAOYSA-N 1 1 441.004 4.592 20 0 IJADMO Clc1cccc(-c2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nn2)c1 ZINC001164705912 719898793 /nfs/dbraw/zinc/89/87/93/719898793.db2.gz FSHUOHCXWSRNOH-UHFFFAOYSA-N 1 1 441.000 4.730 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3ccc(Cl)nc3c1)C2 ZINC001164809938 720103697 /nfs/dbraw/zinc/10/36/97/720103697.db2.gz IUBIQJZENIXVBX-UGKGYDQZSA-N 1 1 435.946 4.618 20 0 IJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3ccsc31)CC2 ZINC001164716971 720110722 /nfs/dbraw/zinc/11/07/22/720110722.db2.gz MPHNIVWFLXHGHA-SFHVURJKSA-N 1 1 443.016 4.852 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc3ccccc3nc1Cl)C2 ZINC001164811624 720142199 /nfs/dbraw/zinc/14/21/99/720142199.db2.gz MZNCHWFFQCRWFD-XMSQKQJNSA-N 1 1 435.946 4.618 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccc(F)cc3)nc3ccccc31)C2 ZINC001164816038 720169686 /nfs/dbraw/zinc/16/96/86/720169686.db2.gz JYNFYLAJYFDAIH-KDYSTLNUSA-N 1 1 446.570 4.621 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3c(ccnc3Cl)c1)C2 ZINC001164812456 720183463 /nfs/dbraw/zinc/18/34/63/720183463.db2.gz AUMHPAYAUFSQAT-UGKGYDQZSA-N 1 1 435.946 4.618 20 0 IJADMO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164733853 720446290 /nfs/dbraw/zinc/44/62/90/720446290.db2.gz QHDQCVNCNIPLAJ-RTWAWAEBSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164733853 720446301 /nfs/dbraw/zinc/44/63/01/720446301.db2.gz QHDQCVNCNIPLAJ-RTWAWAEBSA-N 1 1 441.913 4.590 20 0 IJADMO Cc1ccc(-c2nc3ccccc3c(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)s1 ZINC001164726251 720451962 /nfs/dbraw/zinc/45/19/62/720451962.db2.gz BEMXNHPAAGNTHE-VXKWHMMOSA-N 1 1 427.577 4.915 20 0 IJADMO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732378 720470186 /nfs/dbraw/zinc/47/01/86/720470186.db2.gz ZLZMHIQVDZTKIV-LSDHHAIUSA-N 1 1 432.824 4.547 20 0 IJADMO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732378 720470190 /nfs/dbraw/zinc/47/01/90/720470190.db2.gz ZLZMHIQVDZTKIV-LSDHHAIUSA-N 1 1 432.824 4.547 20 0 IJADMO Clc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164725287 720477133 /nfs/dbraw/zinc/47/71/33/720477133.db2.gz JGIBMXWBIJDCCN-OALUTQOASA-N 1 1 442.350 4.824 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(Cl)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833859 720511467 /nfs/dbraw/zinc/51/14/67/720511467.db2.gz DRSDUALASGQBPC-UWWQBHOKSA-N 1 1 444.357 4.508 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)cc4c(Cl)ccnc43)CC[C@@H]21 ZINC001164839632 720539367 /nfs/dbraw/zinc/53/93/67/720539367.db2.gz QWYVTCOFVJXRSB-GJYPPUQNSA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3c(Cl)ncc(Cl)c3Cl)CC[C@@H]21 ZINC001164838015 720551168 /nfs/dbraw/zinc/55/11/68/720551168.db2.gz NGYQBBYYSWPGBC-YCPHGPKFSA-N 1 1 428.795 4.616 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4cc(Cl)c(Cl)cc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838452 720575978 /nfs/dbraw/zinc/57/59/78/720575978.db2.gz NWPOSHWPDGQHRU-VWKPWSFCSA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4c(Cl)cccc4nc3Cl)CC[C@@H]21 ZINC001164839206 720636845 /nfs/dbraw/zinc/63/68/45/720636845.db2.gz MDHAHXCFOSCJLK-BXWFABGCSA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc4c(Cl)ccc(F)c4n3)CC[C@@H]21 ZINC001164840773 720638228 /nfs/dbraw/zinc/63/82/28/720638228.db2.gz QRYUPBRGYORPKI-WWMYMODYSA-N 1 1 427.955 4.602 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)cc(C4CCCCC4)n3)CC[C@@H]21 ZINC001164835180 720641402 /nfs/dbraw/zinc/64/14/02/720641402.db2.gz AJCQPVOAYFZGQM-ONTIZHBOSA-N 1 1 443.039 4.752 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1csc3ncnc(Cl)c13)CC2 ZINC001164845344 720681129 /nfs/dbraw/zinc/68/11/29/720681129.db2.gz YKKHEAWYVLEURR-KRWDZBQOSA-N 1 1 428.989 4.605 20 0 IJADMO CSc1nc2ccsc2c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842059 720684610 /nfs/dbraw/zinc/68/46/10/720684610.db2.gz LLHSPUYSLYUFBZ-GOSISDBHSA-N 1 1 440.638 4.673 20 0 IJADMO CSc1nc2ccccc2c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164844443 720694732 /nfs/dbraw/zinc/69/47/32/720694732.db2.gz SCTNGCLOFNUCSW-FQEVSTJZSA-N 1 1 434.609 4.612 20 0 IJADMO Cc1ccc2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164758113 720888937 /nfs/dbraw/zinc/88/89/37/720888937.db2.gz WXSGUBUYGANYQE-LSYYVWMOSA-N 1 1 442.607 4.693 20 0 IJADMO Cc1cccc2c1ccnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758201 720890947 /nfs/dbraw/zinc/89/09/47/720890947.db2.gz XPBSXGICIVDCKC-UFHPHHKVSA-N 1 1 442.607 4.693 20 0 IJADMO Cc1cc(Cl)c(C)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758746 720893731 /nfs/dbraw/zinc/89/37/31/720893731.db2.gz ZAQUZXSWFZAOJX-RCZVLFRGSA-N 1 1 441.019 4.502 20 0 IJADMO Cc1ccc(C[NH+]2CCC3(CCN(c4nc[nH]c5nc(=S)sc4-5)CC3)CC2)cc1 ZINC001164758908 721045423 /nfs/dbraw/zinc/04/54/23/721045423.db2.gz DUUTVULKGLNZLP-UHFFFAOYSA-N 1 1 425.627 4.566 20 0 IJADMO Cc1ccc2nc(-c3ccccc3F)nc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164784091 721415655 /nfs/dbraw/zinc/41/56/55/721415655.db2.gz KKMYLUZGXNSFFW-QZTJIDSGSA-N 1 1 445.567 4.769 20 0 IJADMO Fc1ccc(-c2csc3ncnc(N4C[C@@H]5C[NH+](Cc6nccs6)C[C@H]5C4)c23)cc1 ZINC001164786567 721424444 /nfs/dbraw/zinc/42/44/44/721424444.db2.gz OYUJLHPSTZINMY-HOTGVXAUSA-N 1 1 437.569 4.522 20 0 IJADMO COc1ccc2c(c1)nc(N1C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C1)cc2-c1ccccc1 ZINC001164784645 721426757 /nfs/dbraw/zinc/42/67/57/721426757.db2.gz LKJPIQYEGUFNLN-WOJBJXKFSA-N 1 1 442.588 4.935 20 0 IJADMO CCc1cccc(Oc2nc(Cl)ncc2N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164790180 721437014 /nfs/dbraw/zinc/43/70/14/721437014.db2.gz XDZSBDJRBNWUAY-IAGOWNOFSA-N 1 1 441.988 4.509 20 0 IJADMO Clc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1 ZINC001164780776 721437212 /nfs/dbraw/zinc/43/72/12/721437212.db2.gz ABIAWJXRQFJHFU-KBPBESRZSA-N 1 1 448.379 4.600 20 0 IJADMO Cc1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc(-c2ccc(Cl)nc2)n1 ZINC001164794906 721503273 /nfs/dbraw/zinc/50/32/73/721503273.db2.gz FPTQIISOFBGTAF-UHFFFAOYSA-N 1 1 449.002 4.776 20 0 IJADMO COc1ccc2nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c(C)cc2c1 ZINC001164903300 721583951 /nfs/dbraw/zinc/58/39/51/721583951.db2.gz LDWPHUVSZFCEKC-DEOSSOPVSA-N 1 1 438.522 4.685 20 0 IJADMO CCOC(=O)c1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc2ccccc21 ZINC001165029426 721811261 /nfs/dbraw/zinc/81/12/61/721811261.db2.gz YYDNBOULWMIOML-DNVKUUNQSA-N 1 1 444.579 4.543 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)C[C@@H]21 ZINC001165026873 721820656 /nfs/dbraw/zinc/82/06/56/721820656.db2.gz RXQCGFQRZBGEPA-NZSAHSFTSA-N 1 1 445.945 4.893 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(C4CC4)nnc3Cl)C[C@H]21 ZINC001165028989 721824567 /nfs/dbraw/zinc/82/45/67/721824567.db2.gz WCVLGXZKWNEUHZ-YRISNDGFSA-N 1 1 447.961 4.684 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc(SCc4ccccc4)n3)C[C@H]21 ZINC001165024068 721828893 /nfs/dbraw/zinc/82/88/93/721828893.db2.gz JOQLAUBSULIVHJ-QPTUXGOLSA-N 1 1 445.636 4.901 20 0 IJADMO Cc1cc(-c2ccccc2F)nnc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026040 721830047 /nfs/dbraw/zinc/83/00/47/721830047.db2.gz ODBVIXAOIQYUJC-JTJYXVOQSA-N 1 1 431.559 4.723 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C[C@H]21 ZINC001165027368 721831275 /nfs/dbraw/zinc/83/12/75/721831275.db2.gz RZTUSYPYFJVZDQ-DUXKGJEZSA-N 1 1 446.973 4.987 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncnc5sc(C(C)C)cc54)CC3)C2)cc1 ZINC001164938172 721920296 /nfs/dbraw/zinc/92/02/96/721920296.db2.gz IYLCCJSTNLJSKM-UHFFFAOYSA-N 1 1 436.625 4.995 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4nc(Cl)ccc4F)CC3)C2)cc1 ZINC001164938984 721925948 /nfs/dbraw/zinc/92/59/48/721925948.db2.gz FYNRWACZXLRWKT-UHFFFAOYSA-N 1 1 439.909 4.599 20 0 IJADMO CSc1nc2ccccc2c(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164938935 721927214 /nfs/dbraw/zinc/92/72/14/721927214.db2.gz CHFJHQFFUQSPJP-UHFFFAOYSA-N 1 1 434.609 4.532 20 0 IJADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CC[C@@H](c5ccncc5)C3)n2)CCC4)CC1 ZINC001165040559 721928974 /nfs/dbraw/zinc/92/89/74/721928974.db2.gz DYFYSNRFZOMNEB-LJQANCHMSA-N 1 1 433.625 4.801 20 0 IJADMO Clc1cccc(COc2cncc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n2)c1 ZINC001164960570 722024464 /nfs/dbraw/zinc/02/44/64/722024464.db2.gz KUGBAVMJLCBATR-UHFFFAOYSA-N 1 1 449.986 4.597 20 0 IJADMO Clc1ncc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(Oc2ccccc2)n1 ZINC001164959889 722024768 /nfs/dbraw/zinc/02/47/68/722024768.db2.gz JIMIICGLYJQNKV-UHFFFAOYSA-N 1 1 435.959 4.810 20 0 IJADMO Clc1ccc(-c2ccccc2)c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164964474 722055830 /nfs/dbraw/zinc/05/58/30/722055830.db2.gz VBIOWTOOKQDRGT-UHFFFAOYSA-N 1 1 448.998 4.916 20 0 IJADMO Clc1cnc(Cl)c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1Cl ZINC001164964596 722056605 /nfs/dbraw/zinc/05/66/05/722056605.db2.gz VXJNDMBFNGWXHP-UHFFFAOYSA-N 1 1 441.790 4.556 20 0 IJADMO Clc1cc(-c2ccccc2)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977473 722116647 /nfs/dbraw/zinc/11/66/47/722116647.db2.gz NHZZIXXUKPSJQR-JTHBVZDNSA-N 1 1 434.971 4.524 20 0 IJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(Cl)ccc2CN2CCCC2)C3)c1 ZINC001164996001 722202121 /nfs/dbraw/zinc/20/21/21/722202121.db2.gz RHQCLSFORQSSBL-DEOSSOPVSA-N 1 1 428.983 4.715 20 0 IJADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4C[C@H]5CC(F)(F)[C@@H]5C4)c23)C1 ZINC001164410986 718870780 /nfs/dbraw/zinc/87/07/80/718870780.db2.gz KSGUJYKVMKHMNG-BFYDXBDKSA-N 1 1 432.584 4.893 20 0 IJADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4C[C@H]5[C@H](CC5(F)F)C4)c23)C1 ZINC001164410988 718870816 /nfs/dbraw/zinc/87/08/16/718870816.db2.gz KSGUJYKVMKHMNG-INMHGKMJSA-N 1 1 432.584 4.893 20 0 IJADMO Cc1[nH+]cc2n1CCN(C(F)(F)c1cc(-c3cccc(C(F)(F)F)c3)nnc1Cl)C2 ZINC001164448444 718992788 /nfs/dbraw/zinc/99/27/88/718992788.db2.gz IDNVCCKSLKTVQK-UHFFFAOYSA-N 1 1 443.807 4.886 20 0 IJADMO CC(C)c1nccc([C@@H]2C[C@@H]3CCN(c4nc(Cl)ccc4C[NH+]4CCCC4)C[C@H]3O2)n1 ZINC001164640848 719261722 /nfs/dbraw/zinc/26/17/22/719261722.db2.gz TWCKMYTYTABDDS-DZFGPLHGSA-N 1 1 442.007 4.601 20 0 IJADMO CC(C)c1nccc([C@@H]2C[C@H]3CCN(c4nc(Cl)ccc4C[NH+]4CCCC4)C[C@@H]3O2)n1 ZINC001164640873 719261791 /nfs/dbraw/zinc/26/17/91/719261791.db2.gz TWCKMYTYTABDDS-QMMLZNLJSA-N 1 1 442.007 4.601 20 0 IJADMO Clc1ccc(C[NH+]2CCCC2)c(N2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)n1 ZINC001164645175 719289225 /nfs/dbraw/zinc/28/92/25/719289225.db2.gz DDLVQTMYMOREQN-QXAKKESOSA-N 1 1 431.005 4.631 20 0 IJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1ccc3ccc(Cl)nc3c1)CC2 ZINC001164650476 719309837 /nfs/dbraw/zinc/30/98/37/719309837.db2.gz YPBMNFIULDGTGL-UHFFFAOYSA-N 1 1 433.934 4.835 20 0 IJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nnc(-c3ccc(F)cc3)c3ccccc31)CC2 ZINC001164652856 719315208 /nfs/dbraw/zinc/31/52/08/719315208.db2.gz RVOPKTKQOZLNRS-UHFFFAOYSA-N 1 1 444.558 4.838 20 0 IJADMO CC(C)c1cc2c(ncnc2N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)s1 ZINC001164668177 719493582 /nfs/dbraw/zinc/49/35/82/719493582.db2.gz OMIWBOCHCMMCKN-UHFFFAOYSA-N 1 1 440.588 4.825 20 0 IJADMO CC(C)c1cc2c(ncnc2N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)s1 ZINC001164668177 719493587 /nfs/dbraw/zinc/49/35/87/719493587.db2.gz OMIWBOCHCMMCKN-UHFFFAOYSA-N 1 1 440.588 4.825 20 0 IJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2nc(Cl)ccc2F)CC3)cs1 ZINC001164692882 719808583 /nfs/dbraw/zinc/80/85/83/719808583.db2.gz NKLKWIAYXLMHOG-UHFFFAOYSA-N 1 1 430.927 4.819 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2nc(Cl)ccc2F)CC3)cs1 ZINC001164692882 719808584 /nfs/dbraw/zinc/80/85/84/719808584.db2.gz NKLKWIAYXLMHOG-UHFFFAOYSA-N 1 1 430.927 4.819 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C(=O)Nc4ccccc4)ccn2)CC3)cs1 ZINC001164692554 719809291 /nfs/dbraw/zinc/80/92/91/719809291.db2.gz JAFSOUGHJCPHRI-UHFFFAOYSA-N 1 1 447.608 4.734 20 0 IJADMO COc1cccc(-c2ccnc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)n2)c1 ZINC001164693515 719811008 /nfs/dbraw/zinc/81/10/08/719811008.db2.gz VWJHFCGISJJQRD-UHFFFAOYSA-N 1 1 435.597 4.552 20 0 IJADMO Cc1nc2cc(Cl)ccc2c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164697464 719892956 /nfs/dbraw/zinc/89/29/56/719892956.db2.gz KAKAJIKZJXIHID-UHFFFAOYSA-N 1 1 428.989 4.525 20 0 IJADMO COc1ccc2c(cc(Cl)nc2N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164696717 719895238 /nfs/dbraw/zinc/89/52/38/719895238.db2.gz HRHJDLPBDRXDSM-UHFFFAOYSA-N 1 1 444.000 4.830 20 0 IJADMO Cc1ccc(C)c(-c2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nn2)c1 ZINC001164707483 719899681 /nfs/dbraw/zinc/89/96/81/719899681.db2.gz RBCUZCUOJUTJOZ-UHFFFAOYSA-N 1 1 434.609 4.693 20 0 IJADMO Fc1cc2ccnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2cc1Cl ZINC001164707510 719904252 /nfs/dbraw/zinc/90/42/52/719904252.db2.gz SDGRYDNSGFDYDH-UHFFFAOYSA-N 1 1 431.964 4.960 20 0 IJADMO Fc1ccc2nc(-c3ccccc3F)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164729095 720359181 /nfs/dbraw/zinc/35/91/81/720359181.db2.gz WPVUWFTZUWCWAF-ZEQRLZLVSA-N 1 1 443.501 4.823 20 0 IJADMO Cc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)c23)cc1 ZINC001164723147 720370838 /nfs/dbraw/zinc/37/08/38/720370838.db2.gz GHBICODWDZFFPY-YADHBBJMSA-N 1 1 427.577 4.915 20 0 IJADMO Fc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)c23)cc1 ZINC001164728557 720432568 /nfs/dbraw/zinc/43/25/68/720432568.db2.gz FRWYCIZYDBAULR-RTWAWAEBSA-N 1 1 431.540 4.746 20 0 IJADMO Cc1sc2ncnc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1-c1ccccc1 ZINC001164734420 720439263 /nfs/dbraw/zinc/43/92/63/720439263.db2.gz RZARAGGDWQJEJF-NHCUHLMSSA-N 1 1 427.577 4.915 20 0 IJADMO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732025 720446593 /nfs/dbraw/zinc/44/65/93/720446593.db2.gz MUBBFCAJJYRRNB-SFTDATJTSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732025 720446601 /nfs/dbraw/zinc/44/66/01/720446601.db2.gz MUBBFCAJJYRRNB-SFTDATJTSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164729405 720458179 /nfs/dbraw/zinc/45/81/79/720458179.db2.gz HJOOYSCCRYDGLT-RTWAWAEBSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164729405 720458198 /nfs/dbraw/zinc/45/81/98/720458198.db2.gz HJOOYSCCRYDGLT-RTWAWAEBSA-N 1 1 441.913 4.590 20 0 IJADMO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164731983 720476786 /nfs/dbraw/zinc/47/67/86/720476786.db2.gz YHFWMMAPLYIELN-SFTDATJTSA-N 1 1 435.959 4.733 20 0 IJADMO Clc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164726902 720477832 /nfs/dbraw/zinc/47/78/32/720477832.db2.gz MXAVYANDBPKKFD-RTBURBONSA-N 1 1 442.350 4.824 20 0 IJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H](O)[C@@H]2Cc2ccccc2)n1 ZINC001164830268 720494003 /nfs/dbraw/zinc/49/40/03/720494003.db2.gz AARYLLODPGNWSA-FCHUYYIVSA-N 1 1 444.604 4.602 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cc4cc(F)ccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841286 720506406 /nfs/dbraw/zinc/50/64/06/720506406.db2.gz YAJOMZOVLFZKSX-SLYNCCJLSA-N 1 1 427.955 4.602 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4c(Cl)cccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833626 720534212 /nfs/dbraw/zinc/53/42/12/720534212.db2.gz AYEXXOZDZRHPBG-TXPKVOOTSA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4cc(Cl)ccc43)CC[C@@H]21 ZINC001164836359 720542073 /nfs/dbraw/zinc/54/20/73/720542073.db2.gz JRHKXAYIYASIHP-KNBMTAEXSA-N 1 1 445.398 4.511 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c(F)c1)CC2 ZINC001164845357 720687321 /nfs/dbraw/zinc/68/73/21/720687321.db2.gz YRXNACNKGNUWBY-SFHVURJKSA-N 1 1 439.909 4.679 20 0 IJADMO COc1cc2ccnc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2cc1OC ZINC001164840559 720694704 /nfs/dbraw/zinc/69/47/04/720694704.db2.gz GNNLTDNLPIPLNI-QFIPXVFZSA-N 1 1 447.579 4.512 20 0 IJADMO COc1cc2ccnc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2cc1OC ZINC001164840559 720694712 /nfs/dbraw/zinc/69/47/12/720694712.db2.gz GNNLTDNLPIPLNI-QFIPXVFZSA-N 1 1 447.579 4.512 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(F)cc3ncnc(Cl)c31)CC2 ZINC001164839344 720706502 /nfs/dbraw/zinc/70/65/02/720706502.db2.gz LJBFFBMNMUIDJC-IBGZPJMESA-N 1 1 440.950 4.682 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(-c3ccc(F)cc3)ncn1)CC2 ZINC001164838877 720714450 /nfs/dbraw/zinc/71/44/50/720714450.db2.gz JLDVDPCHFAHIKK-HSZRJFAPSA-N 1 1 432.543 4.543 20 0 IJADMO Cc1nc(C2CC2)nc(Cl)c1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164837043 720714847 /nfs/dbraw/zinc/71/48/47/720714847.db2.gz DBJGCVUBALEHBS-FQEVSTJZSA-N 1 1 426.992 4.576 20 0 IJADMO Cc1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2cccs2)n1 ZINC001164839792 720718069 /nfs/dbraw/zinc/71/80/69/720718069.db2.gz MWLOPPNFNGQBRF-NRFANRHFSA-N 1 1 434.609 4.773 20 0 IJADMO Clc1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164755448 720870168 /nfs/dbraw/zinc/87/01/68/720870168.db2.gz WZEXVGQDPBUHCZ-CVDCTZTESA-N 1 1 447.410 4.539 20 0 IJADMO Fc1ccc2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164755393 720891992 /nfs/dbraw/zinc/89/19/92/720891992.db2.gz LUYZDQCYZYXCAW-WNCULLNHSA-N 1 1 446.570 4.524 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)nc1 ZINC001164861680 720894902 /nfs/dbraw/zinc/89/49/02/720894902.db2.gz YKJSJXUOBLEFSN-XMMPIXPASA-N 1 1 447.627 4.546 20 0 IJADMO Fc1ccc2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164749184 720914423 /nfs/dbraw/zinc/91/44/23/720914423.db2.gz IFYCPUCDQAHCGI-KCWPFWIISA-N 1 1 446.570 4.524 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccccc3)nc3ccccc31)[C@H]2C ZINC001164857016 720950783 /nfs/dbraw/zinc/95/07/83/720950783.db2.gz FHIKDFBXVMGCEA-IBGZPJMESA-N 1 1 426.568 4.915 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nnc(Cc3ccccc3)c3ccccc31)[C@H]2C ZINC001164859706 720998909 /nfs/dbraw/zinc/99/89/09/720998909.db2.gz LPIUWAMFALGSLO-FQEVSTJZSA-N 1 1 440.595 4.839 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cnc(Cl)nc1Oc1ccc(F)cc1)[C@@H]2C ZINC001164858153 721005140 /nfs/dbraw/zinc/00/51/40/721005140.db2.gz IIOBDBRZOJKTCK-OAHLLOKOSA-N 1 1 444.942 4.679 20 0 IJADMO Cc1cccc(-c2cc(C(F)(F)N3CCC4(CC(N(C)C)=[NH+]O4)CC3)cnc2Cl)c1 ZINC001164878210 721327780 /nfs/dbraw/zinc/32/77/80/721327780.db2.gz ZWTURFDSSXANRL-UHFFFAOYSA-N 1 1 434.918 4.890 20 0 IJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc4cccc(Cl)c4n3)C2)C1 ZINC001164779123 721345490 /nfs/dbraw/zinc/34/54/90/721345490.db2.gz RHOVGEPWXWAWNK-XMMPIXPASA-N 1 1 440.975 4.612 20 0 IJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc4c(Cl)cccc4n3)C2)C1 ZINC001164776356 721348180 /nfs/dbraw/zinc/34/81/80/721348180.db2.gz ASHXZDNFBXYTRF-XMMPIXPASA-N 1 1 440.975 4.612 20 0 IJADMO c1csc(C[N@H+]2C[C@H]3CN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)C[C@H]3C2)n1 ZINC001164789635 721408197 /nfs/dbraw/zinc/40/81/97/721408197.db2.gz VPRWSMYHTDCWJE-SZPZYZBQSA-N 1 1 439.588 4.835 20 0 IJADMO c1csc(C[N@@H+]2C[C@H]3CN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)C[C@H]3C2)n1 ZINC001164789635 721408201 /nfs/dbraw/zinc/40/82/01/721408201.db2.gz VPRWSMYHTDCWJE-SZPZYZBQSA-N 1 1 439.588 4.835 20 0 IJADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164790254 721417711 /nfs/dbraw/zinc/41/77/11/721417711.db2.gz WTHCJYTWTABFIA-CHWSQXEVSA-N 1 1 435.380 4.575 20 0 IJADMO CCOC(=O)c1cc2ccccc2nc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795479 721498106 /nfs/dbraw/zinc/49/81/06/721498106.db2.gz INDZIEFODLVPBN-UHFFFAOYSA-N 1 1 444.579 4.688 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc(Oc3cccc(F)c3)n1)CC2 ZINC001164795053 721498883 /nfs/dbraw/zinc/49/88/83/721498883.db2.gz BRDXTEVWTZXSOF-UHFFFAOYSA-N 1 1 433.531 4.684 20 0 IJADMO Fc1cnc(Cl)cc1C(F)(F)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908603 721702369 /nfs/dbraw/zinc/70/23/69/721702369.db2.gz YIHFOYPOAIISPN-SFHVURJKSA-N 1 1 446.851 4.552 20 0 IJADMO Cc1cccc2nc(Cl)nc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c12 ZINC001164909574 721758450 /nfs/dbraw/zinc/75/84/50/721758450.db2.gz IGCRAXZLNDAEER-UHFFFAOYSA-N 1 1 433.943 4.774 20 0 IJADMO Cc1cccc2nc(Cl)nc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c12 ZINC001164909574 721758452 /nfs/dbraw/zinc/75/84/52/721758452.db2.gz IGCRAXZLNDAEER-UHFFFAOYSA-N 1 1 433.943 4.774 20 0 IJADMO Cc1cccc(-c2ccc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nn2)c1 ZINC001164912519 721760849 /nfs/dbraw/zinc/76/08/49/721760849.db2.gz YNGQINMHFCIJCC-UHFFFAOYSA-N 1 1 425.536 4.635 20 0 IJADMO Cc1cccc(-c2ccc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nn2)c1 ZINC001164912519 721760854 /nfs/dbraw/zinc/76/08/54/721760854.db2.gz YNGQINMHFCIJCC-UHFFFAOYSA-N 1 1 425.536 4.635 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nnc(Cl)c3ccc(F)cc31)C2 ZINC001164912247 721763333 /nfs/dbraw/zinc/76/33/33/721763333.db2.gz WGHGCOVYHZVNCZ-UHFFFAOYSA-N 1 1 437.906 4.605 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nnc(Cl)c3ccc(F)cc31)C2 ZINC001164912247 721763340 /nfs/dbraw/zinc/76/33/40/721763340.db2.gz WGHGCOVYHZVNCZ-UHFFFAOYSA-N 1 1 437.906 4.605 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4ccc(F)cc43)C[C@@H]21 ZINC001165025836 721803083 /nfs/dbraw/zinc/80/30/83/721803083.db2.gz PMNZFDVQLQMXET-MFMILTCTSA-N 1 1 425.939 4.554 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4cccc(F)c43)C[C@H]21 ZINC001165025863 721808036 /nfs/dbraw/zinc/80/80/36/721808036.db2.gz PPFHFLCJACYDMG-XAUMDUMWSA-N 1 1 425.939 4.554 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4cc(F)c(F)cc4nc3Cl)C[C@H]21 ZINC001165026444 721809179 /nfs/dbraw/zinc/80/91/79/721809179.db2.gz QJHMHIXAAIRFQV-CMPZQBNXSA-N 1 1 443.929 4.693 20 0 IJADMO CCOC(=O)c1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc2ccccc21 ZINC001165029432 721811236 /nfs/dbraw/zinc/81/12/36/721811236.db2.gz YYDNBOULWMIOML-QXWFJRNPSA-N 1 1 444.579 4.543 20 0 IJADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165029011 721823439 /nfs/dbraw/zinc/82/34/39/721823439.db2.gz WKUSWTIWPJVSKQ-IHPCNDPISA-N 1 1 428.024 4.868 20 0 IJADMO Cc1cc(-c2cccc(F)c2)nnc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025622 721829974 /nfs/dbraw/zinc/82/99/74/721829974.db2.gz MUNUAQLNTCLVPZ-ZWSUVBHBSA-N 1 1 431.559 4.723 20 0 IJADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cc(C)cc(Cl)n2)CC1 ZINC001165022726 721841549 /nfs/dbraw/zinc/84/15/49/721841549.db2.gz SQSITAAFCUIYEO-UHFFFAOYSA-N 1 1 439.934 4.706 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc5cccc(F)c54)CC3)C2)cc1 ZINC001164939306 721924793 /nfs/dbraw/zinc/92/47/93/721924793.db2.gz HQXYTNLSDXCYNW-UHFFFAOYSA-N 1 1 440.950 4.602 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc5cccc(C)c54)CC3)C2)cc1 ZINC001164939595 721929168 /nfs/dbraw/zinc/92/91/68/721929168.db2.gz MUQDNVUESKVVQN-UHFFFAOYSA-N 1 1 436.987 4.771 20 0 IJADMO Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]21 ZINC001164951054 722004196 /nfs/dbraw/zinc/00/41/96/722004196.db2.gz GKNXUFUMCDJAQX-UXHICEINSA-N 1 1 433.987 4.507 20 0 IJADMO Fc1ccc2nc(Cl)cc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2c1 ZINC001164963254 722054387 /nfs/dbraw/zinc/05/43/87/722054387.db2.gz JYIOYIOCRYADFE-UHFFFAOYSA-N 1 1 440.950 4.541 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC[C@H](C(=O)NCC4CC4)C3)CC2)nc1 ZINC001164983608 722091826 /nfs/dbraw/zinc/09/18/26/722091826.db2.gz UDBUNXOQPSWISY-LADGPHEKSA-N 1 1 438.660 4.932 20 0 IJADMO Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983203 722109553 /nfs/dbraw/zinc/10/95/53/722109553.db2.gz YLHGSSUHCGBGBP-VGSWGCGISA-N 1 1 443.378 4.664 20 0 IJADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)n1 ZINC001164975977 722164847 /nfs/dbraw/zinc/16/48/47/722164847.db2.gz BCVQSMUKMIKQDZ-XUZZJYLKSA-N 1 1 434.024 4.666 20 0 IJADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2cc(Cl)nc(Cl)n2)C3)c1 ZINC001164995772 722192567 /nfs/dbraw/zinc/19/25/67/722192567.db2.gz XWIBNTRRTWTKCL-GOSISDBHSA-N 1 1 431.289 4.712 20 0 IJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2cc(Cl)nc(Cl)n2)C3)c1 ZINC001164995772 722192568 /nfs/dbraw/zinc/19/25/68/722192568.db2.gz XWIBNTRRTWTKCL-GOSISDBHSA-N 1 1 431.289 4.712 20 0 IJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(Cl)nc4c(Cl)nccc42)C3)c1 ZINC001164994424 722207278 /nfs/dbraw/zinc/20/72/78/722207278.db2.gz GPIXDXCRIPMENR-OAQYLSRUSA-N 1 1 432.330 4.716 20 0 IJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2nc(Cl)ccc2C)CC3)cs1 ZINC001164691962 719810633 /nfs/dbraw/zinc/81/06/33/719810633.db2.gz CGYRBTXQKZUDNK-UHFFFAOYSA-N 1 1 426.964 4.988 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2nc(Cl)ccc2C)CC3)cs1 ZINC001164691962 719810634 /nfs/dbraw/zinc/81/06/34/719810634.db2.gz CGYRBTXQKZUDNK-UHFFFAOYSA-N 1 1 426.964 4.988 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cncc(Oc4cccc(F)c4)n2)CC3)cs1 ZINC001164692174 719811832 /nfs/dbraw/zinc/81/18/32/719811832.db2.gz MTOQTZDPKSNZKD-UHFFFAOYSA-N 1 1 439.560 4.808 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nccc(Oc4ccc(F)cc4)n2)CC3)cs1 ZINC001164693920 719814624 /nfs/dbraw/zinc/81/46/24/719814624.db2.gz ZGVMRQJBGSOQSJ-UHFFFAOYSA-N 1 1 439.560 4.808 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(-c4ccncc4)nc(C)c2C)CC3)cs1 ZINC001164693605 719815059 /nfs/dbraw/zinc/81/50/59/719815059.db2.gz XAFBVNBWYWLRQI-UHFFFAOYSA-N 1 1 434.613 4.555 20 0 IJADMO Clc1cccc2nc(Cl)nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c12 ZINC001164696624 719891905 /nfs/dbraw/zinc/89/19/05/719891905.db2.gz GJDABAXYYPPTDQ-UHFFFAOYSA-N 1 1 449.407 4.870 20 0 IJADMO Fc1cc2ccc(Cl)nc2c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164698247 719892879 /nfs/dbraw/zinc/89/28/79/719892879.db2.gz QFKYWTWVPIFESL-UHFFFAOYSA-N 1 1 431.964 4.960 20 0 IJADMO Fc1ccc(Cl)c2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc12 ZINC001164707357 719904947 /nfs/dbraw/zinc/90/49/47/719904947.db2.gz QEWYRRGMNXLZCZ-UHFFFAOYSA-N 1 1 431.964 4.960 20 0 IJADMO Cc1c(Cl)nc(C2CCC2)nc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164705510 719906738 /nfs/dbraw/zinc/90/67/38/719906738.db2.gz COSCVPXOJOYTSJ-UHFFFAOYSA-N 1 1 433.021 4.639 20 0 IJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)c3cccc(C)c3n1)CC2 ZINC001164712680 720098192 /nfs/dbraw/zinc/09/81/92/720098192.db2.gz XUGJOCAIPNQWMD-QHCPKHFHSA-N 1 1 430.596 4.754 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3scc(-c4ccc(C)cc4)c31)C2 ZINC001164808220 720104161 /nfs/dbraw/zinc/10/41/61/720104161.db2.gz DYPADUASCGFSNU-QFQXNSOFSA-N 1 1 448.636 4.851 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)C2 ZINC001164811119 720104805 /nfs/dbraw/zinc/10/48/05/720104805.db2.gz LMNRMJAQVJPEEB-SIKLNZKXSA-N 1 1 435.946 4.618 20 0 IJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1c(C)c(Cl)cnc1Cl)CC2 ZINC001164713604 720135488 /nfs/dbraw/zinc/13/54/88/720135488.db2.gz SQWGXQREHFBMRT-SFHVURJKSA-N 1 1 435.399 4.599 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3Cl)nc(C)c1C)C2 ZINC001164815577 720183001 /nfs/dbraw/zinc/18/30/01/720183001.db2.gz IJRQEBZLTHTYSO-CJFMBICVSA-N 1 1 441.019 4.599 20 0 IJADMO Fc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164729093 720360033 /nfs/dbraw/zinc/36/00/33/720360033.db2.gz WPVUWFTZUWCWAF-DNQXCXABSA-N 1 1 443.501 4.823 20 0 IJADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723426 720407172 /nfs/dbraw/zinc/40/71/72/720407172.db2.gz GKWHSAVREDLOCK-ROUUACIJSA-N 1 1 429.351 4.798 20 0 IJADMO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728572 720429202 /nfs/dbraw/zinc/42/92/02/720429202.db2.gz FSEKVGYRVMGRAW-GJZGRUSLSA-N 1 1 433.717 4.835 20 0 IJADMO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164728572 720429208 /nfs/dbraw/zinc/42/92/08/720429208.db2.gz FSEKVGYRVMGRAW-GJZGRUSLSA-N 1 1 433.717 4.835 20 0 IJADMO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727773 720445971 /nfs/dbraw/zinc/44/59/71/720445971.db2.gz FBRSDYWVFYDDMQ-MSOLQXFVSA-N 1 1 447.942 4.652 20 0 IJADMO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164727773 720445979 /nfs/dbraw/zinc/44/59/79/720445979.db2.gz FBRSDYWVFYDDMQ-MSOLQXFVSA-N 1 1 447.942 4.652 20 0 IJADMO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164733855 720446895 /nfs/dbraw/zinc/44/68/95/720446895.db2.gz QHDQCVNCNIPLAJ-SFTDATJTSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164733855 720446900 /nfs/dbraw/zinc/44/69/00/720446900.db2.gz QHDQCVNCNIPLAJ-SFTDATJTSA-N 1 1 441.913 4.590 20 0 IJADMO Cc1nc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164728194 720470195 /nfs/dbraw/zinc/47/01/95/720470195.db2.gz NWDWAGDZBNJJRA-RPWUZVMVSA-N 1 1 433.987 4.586 20 0 IJADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724497 720488463 /nfs/dbraw/zinc/48/84/63/720488463.db2.gz GOESREDYFFHQRV-RTWAWAEBSA-N 1 1 432.946 4.797 20 0 IJADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724497 720488470 /nfs/dbraw/zinc/48/84/70/720488470.db2.gz GOESREDYFFHQRV-RTWAWAEBSA-N 1 1 432.946 4.797 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(Cl)cnc3Cl)CC[C@@H]21 ZINC001164841342 720513958 /nfs/dbraw/zinc/51/39/58/720513958.db2.gz YLPJHLFZUOUXMQ-ZVZYQTTQSA-N 1 1 444.357 4.508 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4c(Cl)cccc43)CC[C@@H]21 ZINC001164833623 720534950 /nfs/dbraw/zinc/53/49/50/720534950.db2.gz AYEXXOZDZRHPBG-BXWFABGCSA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc4nc(Cl)cnc4cc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836836 720535049 /nfs/dbraw/zinc/53/50/49/720535049.db2.gz LGVHRZVDMWQPII-TWOQFEAHSA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3c(Cl)ncc(Cl)c3Cl)CC[C@@H]21 ZINC001164838012 720550040 /nfs/dbraw/zinc/55/00/40/720550040.db2.gz NGYQBBYYSWPGBC-DZKIICNBSA-N 1 1 428.795 4.616 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cc(C4CCCCC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835181 720640596 /nfs/dbraw/zinc/64/05/96/720640596.db2.gz AJCQPVOAYFZGQM-RZUBCFFCSA-N 1 1 443.039 4.752 20 0 IJADMO CSc1nc2sccc2c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164838888 720666094 /nfs/dbraw/zinc/66/60/94/720666094.db2.gz IEYBZXZWCFHAHX-SFHVURJKSA-N 1 1 440.638 4.673 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cncc(Oc3cccc(F)c3)n1)CC2 ZINC001164841736 720702582 /nfs/dbraw/zinc/70/25/82/720702582.db2.gz WJDGXZXNSIGUAX-JOCHJYFZSA-N 1 1 448.542 4.668 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(C(F)F)nc3ccccc31)CC2 ZINC001164836440 720716085 /nfs/dbraw/zinc/71/60/85/720716085.db2.gz AMHWLEGFOFKULU-LJQANCHMSA-N 1 1 438.522 4.827 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(-c3ccc(F)cc3)nn1)CC2 ZINC001164837677 720716994 /nfs/dbraw/zinc/71/69/94/720716994.db2.gz GGZYRQZJFFMKIT-HSZRJFAPSA-N 1 1 432.543 4.543 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(-c3ccccc3F)nn1)CC2 ZINC001164838828 720717869 /nfs/dbraw/zinc/71/78/69/720717869.db2.gz JGUVTQOBWWTCFD-OAQYLSRUSA-N 1 1 432.543 4.543 20 0 IJADMO CC(C)c1noc(-c2ccnc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2)n1 ZINC001164841725 720721548 /nfs/dbraw/zinc/72/15/48/720721548.db2.gz WFPMZZCRMPRGGU-QFIPXVFZSA-N 1 1 447.583 4.515 20 0 IJADMO Cc1cc2ccccc2nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747208 720880057 /nfs/dbraw/zinc/88/00/57/720880057.db2.gz ANLKROILCHSLBS-LBNVMWSVSA-N 1 1 442.607 4.693 20 0 IJADMO Cc1cccc2c1ccnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758202 720891082 /nfs/dbraw/zinc/89/10/82/720891082.db2.gz XPBSXGICIVDCKC-YWEHKCAJSA-N 1 1 442.607 4.693 20 0 IJADMO Fc1cccc2c1ccnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754525 720893902 /nfs/dbraw/zinc/89/39/02/720893902.db2.gz JESLFACVPJHTGS-AMGIVPHBSA-N 1 1 446.570 4.524 20 0 IJADMO FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164768846 721300928 /nfs/dbraw/zinc/30/09/28/721300928.db2.gz IDAXXOAECYEEFK-UHFFFAOYSA-N 1 1 433.930 4.781 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)nc1 ZINC001164873710 721319239 /nfs/dbraw/zinc/31/92/39/721319239.db2.gz ALCDRYUDIGKQHK-BJKOFHAPSA-N 1 1 432.612 4.519 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(NC(=O)OC(C)(C)C)cn1)CC2 ZINC001164795045 721499173 /nfs/dbraw/zinc/49/91/73/721499173.db2.gz BMWZJNHPGJFZCY-UHFFFAOYSA-N 1 1 437.588 4.705 20 0 IJADMO COc1cc2nc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)ccc2c(OC)c1 ZINC001164794882 721503134 /nfs/dbraw/zinc/50/31/34/721503134.db2.gz FJJZTPDAQUNOCC-UHFFFAOYSA-N 1 1 432.568 4.528 20 0 IJADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(C(F)F)nc5ccc(Cl)cc54)CC[N@H+]3C2)c1 ZINC001164906420 721563864 /nfs/dbraw/zinc/56/38/64/721563864.db2.gz IYQAPAKZISMKMN-DOTOQJQBSA-N 1 1 448.876 4.702 20 0 IJADMO COc1ccc2nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c(C)cc2c1 ZINC001164903301 721584230 /nfs/dbraw/zinc/58/42/30/721584230.db2.gz LDWPHUVSZFCEKC-XMMPIXPASA-N 1 1 438.522 4.685 20 0 IJADMO Fc1cccc2c1nc(Cl)nc2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907502 721700210 /nfs/dbraw/zinc/70/02/10/721700210.db2.gz UWYKTZIMBUUFAS-OAQYLSRUSA-N 1 1 447.892 4.555 20 0 IJADMO Fc1ccc(Cl)nc1C(F)(F)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908408 721703106 /nfs/dbraw/zinc/70/31/06/721703106.db2.gz YXXHRKMAIXGCSG-SFHVURJKSA-N 1 1 446.851 4.552 20 0 IJADMO COc1ccc2nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)cc(C)c2c1 ZINC001164907404 721704063 /nfs/dbraw/zinc/70/40/63/721704063.db2.gz ROXMRUCKWYUILY-DEOSSOPVSA-N 1 1 438.522 4.685 20 0 IJADMO Cc1ccc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1Cl ZINC001164908572 721708497 /nfs/dbraw/zinc/70/84/97/721708497.db2.gz YCWHMFABQSLUEV-LJQANCHMSA-N 1 1 442.888 4.721 20 0 IJADMO Cc1nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)cc1Cl ZINC001164908563 721718626 /nfs/dbraw/zinc/71/86/26/721718626.db2.gz XZNXVSJJJXDITA-LJQANCHMSA-N 1 1 427.326 4.830 20 0 IJADMO Cc1cc(Cl)nc(C(F)(F)N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001164910067 721756049 /nfs/dbraw/zinc/75/60/49/721756049.db2.gz KMQDEFCWPOODJT-UHFFFAOYSA-N 1 1 432.902 4.771 20 0 IJADMO Cc1cc(Cl)nc(C(F)(F)N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001164910067 721756051 /nfs/dbraw/zinc/75/60/51/721756051.db2.gz KMQDEFCWPOODJT-UHFFFAOYSA-N 1 1 432.902 4.771 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4ccc(F)cc43)C[C@@H]21 ZINC001165025838 721803144 /nfs/dbraw/zinc/80/31/44/721803144.db2.gz PMNZFDVQLQMXET-PAXLWEDBSA-N 1 1 425.939 4.554 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3CCCCC4)C[C@@H]21 ZINC001165024203 721810300 /nfs/dbraw/zinc/81/03/00/721810300.db2.gz JPUNRGKIOACKGE-RBDMOPTHSA-N 1 1 426.008 4.531 20 0 IJADMO CCOC(=O)c1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc2ccccc21 ZINC001165029419 721811244 /nfs/dbraw/zinc/81/12/44/721811244.db2.gz YYDNBOULWMIOML-BFMBIBTESA-N 1 1 444.579 4.543 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cccc(-c4cccc(Cl)n4)n3)C[C@@H]21 ZINC001165026459 721812841 /nfs/dbraw/zinc/81/28/41/721812841.db2.gz QRAPUCURGVXYTB-QMHWCDLVSA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc(Oc4ccc(F)cc4)n3)C[C@@H]21 ZINC001165027559 721826229 /nfs/dbraw/zinc/82/62/29/721826229.db2.gz SPQKRJDLRWHWMJ-YFXJRYMSSA-N 1 1 433.531 4.540 20 0 IJADMO CCc1ccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nn2)cc1 ZINC001165028265 721826758 /nfs/dbraw/zinc/82/67/58/721826758.db2.gz UZZGQJQVUBOIDH-GVUKDKGQSA-N 1 1 427.596 4.838 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nnc(Cl)c4ccc(F)cc43)C[C@H]21 ZINC001165027434 721828065 /nfs/dbraw/zinc/82/80/65/721828065.db2.gz SDLFMAFFUJNJNB-IPHXSNPTSA-N 1 1 425.939 4.554 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc(SCc4ccccc4)n3)C[C@@H]21 ZINC001165024065 721828882 /nfs/dbraw/zinc/82/88/82/721828882.db2.gz JOQLAUBSULIVHJ-OEMFJLHTSA-N 1 1 445.636 4.901 20 0 IJADMO Cc1cnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1-c1ccccc1F ZINC001165025190 721830514 /nfs/dbraw/zinc/83/05/14/721830514.db2.gz MELMUVQBGNVJLW-APTRMMRNSA-N 1 1 431.559 4.723 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCC4)C[C@@H]21 ZINC001165029556 721832141 /nfs/dbraw/zinc/83/21/41/721832141.db2.gz XFKMXYCDMWUPGK-GTCCEBARSA-N 1 1 446.973 4.901 20 0 IJADMO Cc1cc2c(nc(Cl)nc2N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)s1 ZINC001164941055 721924464 /nfs/dbraw/zinc/92/44/64/721924464.db2.gz ZXNFUYMVSYYFCP-UHFFFAOYSA-N 1 1 443.016 4.833 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncnc5c4ccn5C4CCCC4)CC3)C2)cc1 ZINC001164940802 721927192 /nfs/dbraw/zinc/92/71/92/721927192.db2.gz UXYCBBRSCOIXII-UHFFFAOYSA-N 1 1 445.611 4.726 20 0 IJADMO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)nc1 ZINC001164940829 721933083 /nfs/dbraw/zinc/93/30/83/721933083.db2.gz FEZWBEBRCGMYNT-SANMLTNESA-N 1 1 448.655 4.808 20 0 IJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)nc1 ZINC001164940829 721933085 /nfs/dbraw/zinc/93/30/85/721933085.db2.gz FEZWBEBRCGMYNT-SANMLTNESA-N 1 1 448.655 4.808 20 0 IJADMO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)nc1 ZINC001164940828 721933412 /nfs/dbraw/zinc/93/34/12/721933412.db2.gz FEZWBEBRCGMYNT-AREMUKBSSA-N 1 1 448.655 4.808 20 0 IJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)nc1 ZINC001164940828 721933414 /nfs/dbraw/zinc/93/34/14/721933414.db2.gz FEZWBEBRCGMYNT-AREMUKBSSA-N 1 1 448.655 4.808 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)nc1 ZINC001164948311 721967922 /nfs/dbraw/zinc/96/79/22/721967922.db2.gz SYGSRHVIEGPIEW-GTNKKZTPSA-N 1 1 446.639 4.788 20 0 IJADMO FC(F)(Oc1ccc(Cl)nc1Cl)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164960610 722024383 /nfs/dbraw/zinc/02/43/83/722024383.db2.gz LJWCCAWJSDTJMD-UHFFFAOYSA-N 1 1 443.325 4.701 20 0 IJADMO Cc1cccc(COC[C@]23CCCO[C@@H]2CC[N@H+](C(C)(C)c2ccnc(Cl)c2)C3)n1 ZINC001164957962 722027653 /nfs/dbraw/zinc/02/76/53/722027653.db2.gz CKRXQYMLHUEDBO-ZJSXRUAMSA-N 1 1 429.992 4.761 20 0 IJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CN(C(C)=O)c4ccc(C)cc43)CC2)nc1 ZINC001164988315 722189843 /nfs/dbraw/zinc/18/98/43/722189843.db2.gz GCBAVVCDPUJHJK-XMMPIXPASA-N 1 1 432.612 4.842 20 0 IJADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994914 722192543 /nfs/dbraw/zinc/19/25/43/722192543.db2.gz QRAQJLNDRLCCRX-QHCPKHFHSA-N 1 1 431.939 4.604 20 0 IJADMO Cc1ccc(-c2nc3c(ncnc3N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)o2)cc1 ZINC001164994022 722208106 /nfs/dbraw/zinc/20/81/06/722208106.db2.gz CYHAFJQXPWUQBQ-SANMLTNESA-N 1 1 443.526 4.977 20 0 IJADMO COc1ccc(OC)c(-c2ccc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nn2)c1 ZINC001164998939 722209903 /nfs/dbraw/zinc/20/99/03/722209903.db2.gz YYMZSKJXTZPLDF-AREMUKBSSA-N 1 1 448.542 4.545 20 0 IJADMO c1csc(-c2csc3nc(C[NH+]4CCCCC4)nc(N4CC[C@H]5COC[C@H]5C4)c23)c1 ZINC001164387145 718819325 /nfs/dbraw/zinc/81/93/25/718819325.db2.gz DIOBKLQYQBJAIJ-DLBZAZTESA-N 1 1 440.638 4.878 20 0 IJADMO Cc1cccc2c1nc(Cl)nc2N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164674588 719502658 /nfs/dbraw/zinc/50/26/58/719502658.db2.gz ZVTAPAXBKGAGLJ-UHFFFAOYSA-N 1 1 440.950 4.602 20 0 IJADMO Cc1cccc2c1nc(Cl)nc2N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164674588 719502672 /nfs/dbraw/zinc/50/26/72/719502672.db2.gz ZVTAPAXBKGAGLJ-UHFFFAOYSA-N 1 1 440.950 4.602 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc4ccc(F)cc42)CC3)cs1 ZINC001164694342 719804740 /nfs/dbraw/zinc/80/47/40/719804740.db2.gz XMOUCQNOOYLMNB-UHFFFAOYSA-N 1 1 431.968 4.822 20 0 IJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)Oc2cccnc2Cl)CC3)cs1 ZINC001164691501 719806160 /nfs/dbraw/zinc/80/61/60/719806160.db2.gz IIWXDRNGYRGKKD-UHFFFAOYSA-N 1 1 428.936 4.560 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)Oc2cccnc2Cl)CC3)cs1 ZINC001164691501 719806161 /nfs/dbraw/zinc/80/61/61/719806161.db2.gz IIWXDRNGYRGKKD-UHFFFAOYSA-N 1 1 428.936 4.560 20 0 IJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)Oc2cccc(Cl)n2)CC3)cs1 ZINC001164694489 719806871 /nfs/dbraw/zinc/80/68/71/719806871.db2.gz YXHIFIYYAPJYIG-UHFFFAOYSA-N 1 1 428.936 4.560 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)Oc2cccc(Cl)n2)CC3)cs1 ZINC001164694489 719806874 /nfs/dbraw/zinc/80/68/74/719806874.db2.gz YXHIFIYYAPJYIG-UHFFFAOYSA-N 1 1 428.936 4.560 20 0 IJADMO CSc1nc2ccsc2c(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164693033 719807917 /nfs/dbraw/zinc/80/79/17/719807917.db2.gz PDHFLOVPAOISPT-UHFFFAOYSA-N 1 1 431.656 4.813 20 0 IJADMO COc1cc2c(cc1Cl)ncnc2N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164691976 719808922 /nfs/dbraw/zinc/80/89/22/719808922.db2.gz DBEFGWQGIQDEBD-UHFFFAOYSA-N 1 1 444.004 4.692 20 0 IJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2ccc(C)c(Cl)n2)CC3)cs1 ZINC001164691898 719809684 /nfs/dbraw/zinc/80/96/84/719809684.db2.gz AFQKASYJGBCHJT-UHFFFAOYSA-N 1 1 426.964 4.988 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2ccc(C)c(Cl)n2)CC3)cs1 ZINC001164691898 719809688 /nfs/dbraw/zinc/80/96/88/719809688.db2.gz AFQKASYJGBCHJT-UHFFFAOYSA-N 1 1 426.964 4.988 20 0 IJADMO COc1cc2ccnc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)c2cc1OC ZINC001164692953 719809978 /nfs/dbraw/zinc/80/99/78/719809978.db2.gz OKSVOTGFBKIMHV-UHFFFAOYSA-N 1 1 438.597 4.652 20 0 IJADMO COc1cc2ccnc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c2cc1OC ZINC001164692953 719809979 /nfs/dbraw/zinc/80/99/79/719809979.db2.gz OKSVOTGFBKIMHV-UHFFFAOYSA-N 1 1 438.597 4.652 20 0 IJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)COc2cccc(Cl)n2)CC3)cs1 ZINC001164693753 719810270 /nfs/dbraw/zinc/81/02/70/719810270.db2.gz QYTOZBIPSKTNPE-UHFFFAOYSA-N 1 1 442.963 4.602 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)COc2cccc(Cl)n2)CC3)cs1 ZINC001164693753 719810271 /nfs/dbraw/zinc/81/02/71/719810271.db2.gz QYTOZBIPSKTNPE-UHFFFAOYSA-N 1 1 442.963 4.602 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nccc(Oc4cccc(F)c4)n2)CC3)cs1 ZINC001164693074 719811734 /nfs/dbraw/zinc/81/17/34/719811734.db2.gz SYCFSBSEKHWCES-UHFFFAOYSA-N 1 1 439.560 4.808 20 0 IJADMO COc1ccc(-c2cc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)ncn2)cc1 ZINC001164692196 719814659 /nfs/dbraw/zinc/81/46/59/719814659.db2.gz NTYYBEZKHHNEIX-UHFFFAOYSA-N 1 1 435.597 4.552 20 0 IJADMO FC(F)(c1cnc(Cl)c(Cl)c1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694644 719886899 /nfs/dbraw/zinc/88/68/99/719886899.db2.gz BPUCJUSZFCFINC-UHFFFAOYSA-N 1 1 448.366 4.866 20 0 IJADMO Cc1ccc2nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c(Cl)nc2c1 ZINC001164695307 719891421 /nfs/dbraw/zinc/89/14/21/719891421.db2.gz MTAHFSOQRZYDMI-UHFFFAOYSA-N 1 1 428.989 4.525 20 0 IJADMO c1csc(C[N@@H+]2CCOC3(CCN(c4nccc(-c5c[nH]c6ccccc65)n4)CC3)C2)c1 ZINC001164694959 719892348 /nfs/dbraw/zinc/89/23/48/719892348.db2.gz IKTYCQMAZGBVSO-UHFFFAOYSA-N 1 1 445.592 4.558 20 0 IJADMO c1csc(C[N@H+]2CCOC3(CCN(c4nccc(-c5c[nH]c6ccccc65)n4)CC3)C2)c1 ZINC001164694959 719892349 /nfs/dbraw/zinc/89/23/49/719892349.db2.gz IKTYCQMAZGBVSO-UHFFFAOYSA-N 1 1 445.592 4.558 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cccc3c(Cl)nccc31)C2 ZINC001164814995 720148101 /nfs/dbraw/zinc/14/81/01/720148101.db2.gz VCOBWIJZEMYIJA-VGOFRKELSA-N 1 1 435.946 4.618 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccc(F)cc3)nc3ccccc31)C2 ZINC001164816035 720169737 /nfs/dbraw/zinc/16/97/37/720169737.db2.gz JYNFYLAJYFDAIH-IDISGSTGSA-N 1 1 446.570 4.621 20 0 IJADMO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727659 720406216 /nfs/dbraw/zinc/40/62/16/720406216.db2.gz RDEGAJNUKYTWLV-RTBURBONSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164727659 720406218 /nfs/dbraw/zinc/40/62/18/720406218.db2.gz RDEGAJNUKYTWLV-RTBURBONSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728565 720429781 /nfs/dbraw/zinc/42/97/81/720429781.db2.gz FSEKVGYRVMGRAW-CABCVRRESA-N 1 1 433.717 4.835 20 0 IJADMO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164728565 720429786 /nfs/dbraw/zinc/42/97/86/720429786.db2.gz FSEKVGYRVMGRAW-CABCVRRESA-N 1 1 433.717 4.835 20 0 IJADMO Clc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164726893 720477447 /nfs/dbraw/zinc/47/74/47/720477447.db2.gz MXAVYANDBPKKFD-MOPGFXCFSA-N 1 1 442.350 4.824 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3Cl)CC[C@@H]21 ZINC001164840033 720512199 /nfs/dbraw/zinc/51/21/99/720512199.db2.gz VZGLSYIRJVINIY-VKJFTORMSA-N 1 1 444.357 4.508 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cnc(Cl)cc3Cl)CC[C@@H]21 ZINC001164834021 720513946 /nfs/dbraw/zinc/51/39/46/720513946.db2.gz FDZYSUKRWOVTJW-MPGHIAIKSA-N 1 1 444.357 4.508 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3c(Cl)ncc(Cl)c3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838014 720550607 /nfs/dbraw/zinc/55/06/07/720550607.db2.gz NGYQBBYYSWPGBC-OFQRWUPVSA-N 1 1 428.795 4.616 20 0 IJADMO Cc1csc2c1nc(Cl)cc2N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841375 720575391 /nfs/dbraw/zinc/57/53/91/720575391.db2.gz UJVURUJKMXZDDO-KZNAEPCWSA-N 1 1 430.021 4.832 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc4c(Cl)ccc(F)c4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840770 720637677 /nfs/dbraw/zinc/63/76/77/720637677.db2.gz QRYUPBRGYORPKI-LLGFUMIMSA-N 1 1 427.955 4.602 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1ccc(F)c(Cl)n1)CC2 ZINC001164840492 720667984 /nfs/dbraw/zinc/66/79/84/720667984.db2.gz MUNLFEKMUOHYFH-QGZVFWFLSA-N 1 1 439.909 4.679 20 0 IJADMO Cc1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2ccsc2)n1 ZINC001164837634 720718757 /nfs/dbraw/zinc/71/87/57/720718757.db2.gz FKUSISAKQUVSEZ-JOCHJYFZSA-N 1 1 434.609 4.773 20 0 IJADMO Cc1cc(-c2ccccc2F)nnc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842359 720726059 /nfs/dbraw/zinc/72/60/59/720726059.db2.gz YSOISZXHFUCEOY-QFIPXVFZSA-N 1 1 446.570 4.851 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cncc(-c3ccc(F)cc3)n1)CC2 ZINC001164839603 720726675 /nfs/dbraw/zinc/72/66/75/720726675.db2.gz MDZVKDYWBMUBHH-HSZRJFAPSA-N 1 1 432.543 4.543 20 0 IJADMO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164837505 720728784 /nfs/dbraw/zinc/72/87/84/720728784.db2.gz NJQZXHCKSKLHGF-CTNGQTDRSA-N 1 1 433.600 4.731 20 0 IJADMO Clc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)c1 ZINC001164752474 720871266 /nfs/dbraw/zinc/87/12/66/720871266.db2.gz NBPGCHAPAAYAQD-CVDCTZTESA-N 1 1 447.410 4.539 20 0 IJADMO Fc1ccc2cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2c1 ZINC001164755039 720915870 /nfs/dbraw/zinc/91/58/70/720915870.db2.gz XWKOJXDTXKYWPD-IGKIAQTJSA-N 1 1 446.570 4.524 20 0 IJADMO CSc1ccc(Oc2cc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)ncn2)cc1 ZINC001164857240 720990408 /nfs/dbraw/zinc/99/04/08/720990408.db2.gz FDOJNIMDMCSCBZ-KRWDZBQOSA-N 1 1 438.601 4.609 20 0 IJADMO Clc1ccc(-c2ccc(C3OCCCO3)c(N3CC4(C3)CC[N@@H+](CC3CC3)C4)c2)cn1 ZINC001164767971 721295474 /nfs/dbraw/zinc/29/54/74/721295474.db2.gz CJLNIIYVJGICEX-UHFFFAOYSA-N 1 1 439.987 4.760 20 0 IJADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1cnc(Cl)c(-c3cccs3)c1)CC2 ZINC001164877548 721328017 /nfs/dbraw/zinc/32/80/17/721328017.db2.gz VQUITDMEHURZJK-UHFFFAOYSA-N 1 1 426.920 4.643 20 0 IJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4cc3Cl)C2)C1 ZINC001164779785 721345059 /nfs/dbraw/zinc/34/50/59/721345059.db2.gz WMUVDFPKFRLOIG-DEOSSOPVSA-N 1 1 440.975 4.612 20 0 IJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4cc3Cl)C2)C1 ZINC001164779785 721345065 /nfs/dbraw/zinc/34/50/65/721345065.db2.gz WMUVDFPKFRLOIG-DEOSSOPVSA-N 1 1 440.975 4.612 20 0 IJADMO Cc1ccc(-c2nc3ccccc3c(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)n2)cc1 ZINC001164781123 721417349 /nfs/dbraw/zinc/41/73/49/721417349.db2.gz BTTCHEZGGRFTLT-BGYRXZFFSA-N 1 1 427.577 4.630 20 0 IJADMO Cc1ccc(-c2nc3ccccc3c(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)n2)cc1 ZINC001164781123 721417354 /nfs/dbraw/zinc/41/73/54/721417354.db2.gz BTTCHEZGGRFTLT-BGYRXZFFSA-N 1 1 427.577 4.630 20 0 IJADMO c1csc(-c2nc(-c3ccccc3)cc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)n2)c1 ZINC001164788037 721430754 /nfs/dbraw/zinc/43/07/54/721430754.db2.gz RTNSMXKFZWYZJB-OALUTQOASA-N 1 1 445.617 4.897 20 0 IJADMO c1csc(-c2nc(-c3ccccc3)cc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)n2)c1 ZINC001164788039 721430868 /nfs/dbraw/zinc/43/08/68/721430868.db2.gz RTNSMXKFZWYZJB-RTBURBONSA-N 1 1 445.617 4.897 20 0 IJADMO CCc1ccc(Oc2nc(Cl)ncc2N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164788919 721437944 /nfs/dbraw/zinc/43/79/44/721437944.db2.gz UHCBSRBTFHGAAE-IAGOWNOFSA-N 1 1 441.988 4.509 20 0 IJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3ccccc3cc1Cl)CC2 ZINC001164783232 721456068 /nfs/dbraw/zinc/45/60/68/721456068.db2.gz AITNNDBVRRHVEW-NRFANRHFSA-N 1 1 444.019 4.622 20 0 IJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CCC[C@@H](OCC5CC5)[C@@H]4C3)c2c1C ZINC001164901551 721498893 /nfs/dbraw/zinc/49/88/93/721498893.db2.gz WJKVDHFLHYZQMX-PWRODBHTSA-N 1 1 440.657 4.935 20 0 IJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)nc1 ZINC001164900152 721507200 /nfs/dbraw/zinc/50/72/00/721507200.db2.gz ORRMTFQUBHFXII-DEOSSOPVSA-N 1 1 447.627 4.575 20 0 IJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3cc(Cl)ccc32)[C@@H]2CCCO[C@H]12 ZINC001164801511 721545204 /nfs/dbraw/zinc/54/52/04/721545204.db2.gz FNRZAIRRSZIVHN-LSWJPFSZSA-N 1 1 443.378 4.805 20 0 IJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(Cl)ccc(Cl)c3n2)[C@H]2CCCO[C@H]12 ZINC001164811958 721588859 /nfs/dbraw/zinc/58/88/59/721588859.db2.gz ZDWRFTJMNGAPDL-MZKRTTBSSA-N 1 1 443.378 4.805 20 0 IJADMO Cc1nc2cc(Cl)ccc2c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904850 721705007 /nfs/dbraw/zinc/70/50/07/721705007.db2.gz DMFNQFZXIPGJDA-QFIPXVFZSA-N 1 1 443.929 4.724 20 0 IJADMO COc1cc2ccnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2cc1F ZINC001164911849 721735576 /nfs/dbraw/zinc/73/55/76/721735576.db2.gz LHEKDNVKCFNRNU-HSZRJFAPSA-N 1 1 442.485 4.515 20 0 IJADMO COc1cc2ccnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2cc1F ZINC001164911850 721735665 /nfs/dbraw/zinc/73/56/65/721735665.db2.gz LHEKDNVKCFNRNU-QHCPKHFHSA-N 1 1 442.485 4.515 20 0 IJADMO Cc1nc2c3ccccc3oc2c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164909582 721756796 /nfs/dbraw/zinc/75/67/96/721756796.db2.gz ISOIINAOLKGSFN-UHFFFAOYSA-N 1 1 439.519 4.867 20 0 IJADMO Cc1nc2c3ccccc3oc2c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164909582 721756802 /nfs/dbraw/zinc/75/68/02/721756802.db2.gz ISOIINAOLKGSFN-UHFFFAOYSA-N 1 1 439.519 4.867 20 0 IJADMO Cc1ccc(Cl)nc1C(F)(F)N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164911869 721757483 /nfs/dbraw/zinc/75/74/83/721757483.db2.gz ZYWVPSZJAXBFKQ-UHFFFAOYSA-N 1 1 432.902 4.771 20 0 IJADMO Cc1ccc(Cl)nc1C(F)(F)N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164911869 721757487 /nfs/dbraw/zinc/75/74/87/721757487.db2.gz ZYWVPSZJAXBFKQ-UHFFFAOYSA-N 1 1 432.902 4.771 20 0 IJADMO CCc1ccc(-c2ccc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nn2)cc1 ZINC001164912160 721762820 /nfs/dbraw/zinc/76/28/20/721762820.db2.gz UBTRHLHGTTURGC-UHFFFAOYSA-N 1 1 439.563 4.889 20 0 IJADMO CCc1ccc(-c2ccc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nn2)cc1 ZINC001164912160 721762825 /nfs/dbraw/zinc/76/28/25/721762825.db2.gz UBTRHLHGTTURGC-UHFFFAOYSA-N 1 1 439.563 4.889 20 0 IJADMO Cc1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc(-c2cccs2)n1 ZINC001164911629 721762969 /nfs/dbraw/zinc/76/29/69/721762969.db2.gz QCLWIRXZHAVXTE-UHFFFAOYSA-N 1 1 431.565 4.696 20 0 IJADMO Cc1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc(-c2cccs2)n1 ZINC001164911629 721762971 /nfs/dbraw/zinc/76/29/71/721762971.db2.gz QCLWIRXZHAVXTE-UHFFFAOYSA-N 1 1 431.565 4.696 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4ccc(F)cc43)C[C@H]21 ZINC001165025839 721803260 /nfs/dbraw/zinc/80/32/60/721803260.db2.gz PMNZFDVQLQMXET-QFIXIFRTSA-N 1 1 425.939 4.554 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4ccnc(Cl)c4)ccn3)C[C@@H]21 ZINC001165027543 721805875 /nfs/dbraw/zinc/80/58/75/721805875.db2.gz WDPBURVSBRQROW-ACIOBRDBSA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc(Cc4ccccc4)n3)C[C@H]21 ZINC001165029477 721808710 /nfs/dbraw/zinc/80/87/10/721808710.db2.gz ZEGRSASWXSKJDH-YMPZKCBVSA-N 1 1 448.014 4.853 20 0 IJADMO CSc1nc2ccsc2c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165022695 721810128 /nfs/dbraw/zinc/81/01/28/721810128.db2.gz GTSUHKQHJXBZMP-IEZWGBDMSA-N 1 1 425.627 4.545 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cncc(Oc4cccc(F)c4)n3)C[C@@H]21 ZINC001165023535 721818821 /nfs/dbraw/zinc/81/88/21/721818821.db2.gz HQCNHWHTDUVSSD-OFAXGOBFSA-N 1 1 433.531 4.540 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4cccc(Cl)c4)ncn3)C[C@H]21 ZINC001165023225 721825423 /nfs/dbraw/zinc/82/54/23/721825423.db2.gz IIDQCTLXZWSEFL-ZFJSRUIDSA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4nc(Cl)cnc4cc3F)C[C@@H]21 ZINC001165025268 721826418 /nfs/dbraw/zinc/82/64/18/721826418.db2.gz MNKLWAWXSLQWID-LDBYXDLTSA-N 1 1 425.939 4.554 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4cc(Cl)ncc4F)CC3)C2)cc1 ZINC001164939711 721925729 /nfs/dbraw/zinc/92/57/29/721925729.db2.gz LLYFHQWDDYXKFR-UHFFFAOYSA-N 1 1 439.909 4.599 20 0 IJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3c4c(n(C)nc4-c4ccccc4)C[C@@H]3C2)nc1 ZINC001164951693 722005630 /nfs/dbraw/zinc/00/56/30/722005630.db2.gz IQIROKLOCUFKJK-DNVJHFABSA-N 1 1 427.596 4.805 20 0 IJADMO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955706 722019356 /nfs/dbraw/zinc/01/93/56/722019356.db2.gz OEAVQVHFQGHXDP-UHFFFAOYSA-N 1 1 443.929 4.716 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC[C@@H](C(=O)NCC4CC4)C3)CC2)nc1 ZINC001164983604 722091873 /nfs/dbraw/zinc/09/18/73/722091873.db2.gz UDBUNXOQPSWISY-ISKFKSNPSA-N 1 1 438.660 4.932 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[C@@H](NC(=O)N(C)C)c4ccccc4[C@H]3C2)nc1 ZINC001164982254 722098136 /nfs/dbraw/zinc/09/81/36/722098136.db2.gz NAUFUUVKBAYWKQ-TWZJLLKVSA-N 1 1 447.627 4.565 20 0 IJADMO O=C(NC1CCCCC1)c1cccnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994156 722192960 /nfs/dbraw/zinc/19/29/60/722192960.db2.gz KXRFFDHCWXDUNS-AREMUKBSSA-N 1 1 436.575 4.528 20 0 IJADMO COc1cc2c(cc1Cl)ncnc2N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994027 722200032 /nfs/dbraw/zinc/20/00/32/722200032.db2.gz DCVLBNRGGSMPSC-HSZRJFAPSA-N 1 1 426.923 4.676 20 0 IJADMO Cc1cc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164999117 722212033 /nfs/dbraw/zinc/21/20/33/722212033.db2.gz ZNWBZLGVGWKORU-DEOSSOPVSA-N 1 1 437.950 4.884 20 0 IJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[C@H](c4ccnc(C(C)C)n4)O[C@H]3C2)nc1 ZINC001164634902 719262909 /nfs/dbraw/zinc/26/29/09/719262909.db2.gz GVEQQBPMJGAFIL-CDIGIKMISA-N 1 1 435.616 4.898 20 0 IJADMO Clc1ccc(C[NH+]2CCCC2)c(N2C[C@@H]3O[C@@H](c4nc(C5CC5)cs4)C[C@H]3C2)n1 ZINC001164645176 719289186 /nfs/dbraw/zinc/28/91/86/719289186.db2.gz DDLVQTMYMOREQN-UHOSZYNNSA-N 1 1 431.005 4.631 20 0 IJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(-c3ccsc3)nc3ccccc31)CC2 ZINC001164652815 719315684 /nfs/dbraw/zinc/31/56/84/719315684.db2.gz QTHPDQYQNIYRSV-UHFFFAOYSA-N 1 1 432.597 4.760 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](OCC4CCCC4)CC[C@@H]32)nc1 ZINC001164662564 719344293 /nfs/dbraw/zinc/34/42/93/719344293.db2.gz PFTZVXDVJJYTDP-TWZJLLKVSA-N 1 1 427.633 4.962 20 0 IJADMO CC(C)c1nc2scc(-c3ccccc3Cl)c2c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC001164666075 719445253 /nfs/dbraw/zinc/44/52/53/719445253.db2.gz BBCFFXNGPUOAIB-ZWKOTPCHSA-N 1 1 428.989 4.654 20 0 IJADMO Cc1cccc2nc(Cl)nc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c12 ZINC001164671715 719516754 /nfs/dbraw/zinc/51/67/54/719516754.db2.gz IQVBXUWLWRRJCS-UHFFFAOYSA-N 1 1 440.950 4.602 20 0 IJADMO Cc1cccc2nc(Cl)nc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c12 ZINC001164671715 719516762 /nfs/dbraw/zinc/51/67/62/719516762.db2.gz IQVBXUWLWRRJCS-UHFFFAOYSA-N 1 1 440.950 4.602 20 0 IJADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164693870 719806459 /nfs/dbraw/zinc/80/64/59/719806459.db2.gz RYGYNTUJMOFCMU-UHFFFAOYSA-N 1 1 449.020 4.620 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc4c(F)cccc42)CC3)cs1 ZINC001164692501 719807788 /nfs/dbraw/zinc/80/77/88/719807788.db2.gz IMYGQLYSSZUZGD-UHFFFAOYSA-N 1 1 431.968 4.822 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(NC(=O)OC(C)(C)C)cn2)CC3)cs1 ZINC001164691187 719812781 /nfs/dbraw/zinc/81/27/81/719812781.db2.gz AOXVWAIDWRFBAS-UHFFFAOYSA-N 1 1 443.617 4.829 20 0 IJADMO COc1ccc(-c2ccc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)nn2)cc1 ZINC001164691621 719813162 /nfs/dbraw/zinc/81/31/62/719813162.db2.gz IQMZNSQQGSTLSP-UHFFFAOYSA-N 1 1 435.597 4.552 20 0 IJADMO COc1ccccc1-c1cc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)ncn1 ZINC001164692220 719814556 /nfs/dbraw/zinc/81/45/56/719814556.db2.gz OQGXUDGQSWZGSD-UHFFFAOYSA-N 1 1 435.597 4.552 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nnc(Cl)c4ccc(F)cc42)CC3)cs1 ZINC001164693996 719815254 /nfs/dbraw/zinc/81/52/54/719815254.db2.gz ZOSBBPOXEMEMKV-UHFFFAOYSA-N 1 1 431.968 4.822 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3scc(-c4cccs4)c31)C2 ZINC001164810407 720091143 /nfs/dbraw/zinc/09/11/43/720091143.db2.gz LRIQWEPWUJOSCH-SBUREZEXSA-N 1 1 440.638 4.605 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3scc(-c4ccc(C)cc4)c31)C2 ZINC001164808214 720103603 /nfs/dbraw/zinc/10/36/03/720103603.db2.gz DYPADUASCGFSNU-HFZDXXHNSA-N 1 1 448.636 4.851 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3ccc(Cl)nc3c1)C2 ZINC001164809935 720103734 /nfs/dbraw/zinc/10/37/34/720103734.db2.gz IUBIQJZENIXVBX-KNQAVFIVSA-N 1 1 435.946 4.618 20 0 IJADMO Clc1ccc(-c2nc3c(c(N4CC[C@@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)n2)CCC3)s1 ZINC001164733866 720462805 /nfs/dbraw/zinc/46/28/05/720462805.db2.gz QIVKFLGJQBQCIK-MOPGFXCFSA-N 1 1 438.000 4.595 20 0 IJADMO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164731976 720478234 /nfs/dbraw/zinc/47/82/34/720478234.db2.gz YHFWMMAPLYIELN-NHCUHLMSSA-N 1 1 435.959 4.733 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(Cl)c3)CC[C@@H]21 ZINC001164833855 720511046 /nfs/dbraw/zinc/51/10/46/720511046.db2.gz DRSDUALASGQBPC-HFTRVMKXSA-N 1 1 444.357 4.508 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(Cl)c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833857 720511229 /nfs/dbraw/zinc/51/12/29/720511229.db2.gz DRSDUALASGQBPC-QILLFSRXSA-N 1 1 444.357 4.508 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)ccc3-c3ccccc3)CC[C@@H]21 ZINC001164834668 720540453 /nfs/dbraw/zinc/54/04/53/720540453.db2.gz FRJIHZWWIIEQHI-FUDKSRODSA-N 1 1 436.003 4.976 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4cc(Cl)c(Cl)cc43)CC[C@@H]21 ZINC001164838454 720574584 /nfs/dbraw/zinc/57/45/84/720574584.db2.gz NWPOSHWPDGQHRU-XFQAVAEZSA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nccc4cc(F)c(Cl)cc43)CC[C@@H]21 ZINC001164837743 720633296 /nfs/dbraw/zinc/63/32/96/720633296.db2.gz JAXSWZZVCUHGAD-FGSXEWAUSA-N 1 1 427.955 4.602 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3c(F)cccc31)CC2 ZINC001164845364 720686260 /nfs/dbraw/zinc/68/62/60/720686260.db2.gz YTQGHDFYLSAHNV-GOSISDBHSA-N 1 1 440.950 4.682 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3c1CCCCC3)CC2 ZINC001164843897 720688054 /nfs/dbraw/zinc/68/80/54/720688054.db2.gz RSZGRRSEMKOWSN-HXUWFJFHSA-N 1 1 441.019 4.659 20 0 IJADMO Cc1ccc(Cl)nc1C(F)(F)N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842653 720699436 /nfs/dbraw/zinc/69/94/36/720699436.db2.gz MDEJHSAAJPBOGR-IBGZPJMESA-N 1 1 435.946 4.848 20 0 IJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)nc1 ZINC001164847942 720808603 /nfs/dbraw/zinc/80/86/03/720808603.db2.gz BBZCCJLHAKQBIU-LSYYVWMOSA-N 1 1 446.639 4.956 20 0 IJADMO Cc1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2c1 ZINC001164749141 720869922 /nfs/dbraw/zinc/86/99/22/720869922.db2.gz HIDKYZIOVMAEMG-LBNVMWSVSA-N 1 1 442.607 4.693 20 0 IJADMO Clc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)c1 ZINC001164752472 720870974 /nfs/dbraw/zinc/87/09/74/720870974.db2.gz NBPGCHAPAAYAQD-AUSIDOKSSA-N 1 1 447.410 4.539 20 0 IJADMO Cc1cc2ccccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754987 720897895 /nfs/dbraw/zinc/89/78/95/720897895.db2.gz KCBDQZBLSJWPMC-LEAFIULHSA-N 1 1 442.607 4.693 20 0 IJADMO Fc1cccc2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc12 ZINC001164754887 720901739 /nfs/dbraw/zinc/90/17/39/720901739.db2.gz JMJMECLKHLKIOH-HOFKKMOUSA-N 1 1 446.570 4.524 20 0 IJADMO CCc1cc2c(ccnc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)o1 ZINC001164754660 720934134 /nfs/dbraw/zinc/93/41/34/720934134.db2.gz WVDTVNZRTWVTRF-AMGIVPHBSA-N 1 1 446.595 4.540 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cnc(Cl)nc1Oc1ccc(F)cc1)[C@H]2C ZINC001164858152 721006023 /nfs/dbraw/zinc/00/60/23/721006023.db2.gz IIOBDBRZOJKTCK-HNNXBMFYSA-N 1 1 444.942 4.679 20 0 IJADMO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)n1 ZINC001164772959 721289478 /nfs/dbraw/zinc/28/94/78/721289478.db2.gz KVGYTANJEJBXHV-UHFFFAOYSA-N 1 1 431.971 4.781 20 0 IJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(CCCN(c4cccc(C)c4)C3)C2)nc1 ZINC001164775277 721305766 /nfs/dbraw/zinc/30/57/66/721305766.db2.gz URCVBMNHTBWIBE-VPUSJEBWSA-N 1 1 434.628 4.813 20 0 IJADMO Clc1ccc2nc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nc(-c3ccccc3)c2c1 ZINC001164783552 721424808 /nfs/dbraw/zinc/42/48/08/721424808.db2.gz IYFXBDIFOZYWHE-QZTJIDSGSA-N 1 1 447.995 4.975 20 0 IJADMO Fc1ccc(-c2nnc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c3ccccc32)cc1F ZINC001164785719 721425972 /nfs/dbraw/zinc/42/59/72/721425972.db2.gz ODWBYEUHXHBBSP-IRXDYDNUSA-N 1 1 449.530 4.600 20 0 IJADMO Clc1ccc(Oc2nc(Cl)ncc2N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164782717 721436353 /nfs/dbraw/zinc/43/63/53/721436353.db2.gz HNIVKBJVJOLACX-ZIAGYGMSSA-N 1 1 448.379 4.600 20 0 IJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3ccccc3cc1Cl)CC2 ZINC001164783233 721457394 /nfs/dbraw/zinc/45/73/94/721457394.db2.gz AITNNDBVRRHVEW-OAQYLSRUSA-N 1 1 444.019 4.622 20 0 IJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3cccc(Cl)c31)CC2 ZINC001164788584 721460516 /nfs/dbraw/zinc/46/05/16/721460516.db2.gz UKYYSBSCPGPZMZ-OAQYLSRUSA-N 1 1 444.019 4.622 20 0 IJADMO CSc1nc2ccsc2c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164791937 721494920 /nfs/dbraw/zinc/49/49/20/721494920.db2.gz FNTRNDNNKOSGDF-UHFFFAOYSA-N 1 1 425.627 4.689 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(-c3nc(C(C)(C)C)no3)ccn1)CC2 ZINC001164796655 721499463 /nfs/dbraw/zinc/49/94/63/721499463.db2.gz UZGMPEJDASGSKP-UHFFFAOYSA-N 1 1 446.599 4.705 20 0 IJADMO Cc1cc(-c2cccc(F)c2)nnc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164794671 721502788 /nfs/dbraw/zinc/50/27/88/721502788.db2.gz CHSCCUAVITYOHH-UHFFFAOYSA-N 1 1 431.559 4.867 20 0 IJADMO Fc1c(Cl)nccc1C(F)(F)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164903779 721585673 /nfs/dbraw/zinc/58/56/73/721585673.db2.gz CJMANSADPYUMHH-SFHVURJKSA-N 1 1 446.851 4.552 20 0 IJADMO Fc1ccc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1Cl ZINC001164907494 721586933 /nfs/dbraw/zinc/58/69/33/721586933.db2.gz UNMAXXBLXPEZFS-SFHVURJKSA-N 1 1 446.851 4.552 20 0 IJADMO Cc1cncc(COC[C@]23CCC[C@@H]2CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C3)c1 ZINC001164802936 721601027 /nfs/dbraw/zinc/60/10/27/721601027.db2.gz UFNJBMNUIQFORA-RCZVLFRGSA-N 1 1 441.019 4.858 20 0 IJADMO Cc1nc2c3ccccc3oc2c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908938 721713760 /nfs/dbraw/zinc/71/37/60/721713760.db2.gz ZRQNPUFBXRTKTH-XMMPIXPASA-N 1 1 449.505 4.817 20 0 IJADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@H](c2ccccc2)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001164913133 721743181 /nfs/dbraw/zinc/74/31/81/721743181.db2.gz UHEUFQMIRSIHDF-ATIYNZHBSA-N 1 1 446.982 4.888 20 0 IJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)nc1 ZINC001164912283 721764850 /nfs/dbraw/zinc/76/48/50/721764850.db2.gz XIZQFCKOVOVFTD-SANMLTNESA-N 1 1 445.611 4.811 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c(F)cccc43)C[C@@H]21 ZINC001165024288 721809948 /nfs/dbraw/zinc/80/99/48/721809948.db2.gz KHCBTTIOWVVZBP-MOXGXCLJSA-N 1 1 425.939 4.554 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nnc3-c3ccccc3)C[C@@H]21 ZINC001165022621 721812778 /nfs/dbraw/zinc/81/27/78/721812778.db2.gz GFICDSHEWGMXIV-BAGYTPMASA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)C[C@H]21 ZINC001165026872 721820837 /nfs/dbraw/zinc/82/08/37/721820837.db2.gz RXQCGFQRZBGEPA-BHIYHBOVSA-N 1 1 445.945 4.893 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(F)cc4ncnc(Cl)c43)C[C@H]21 ZINC001165021625 721820846 /nfs/dbraw/zinc/82/08/46/721820846.db2.gz FITLEXIIVWUPKB-XFQXTVEOSA-N 1 1 425.939 4.554 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4nc(C(C)(C)C)no4)ccn3)C[C@@H]21 ZINC001165024096 721821184 /nfs/dbraw/zinc/82/11/84/721821184.db2.gz JSUZCEXXUVILGL-ILWGZMRPSA-N 1 1 446.599 4.561 20 0 IJADMO Cc1ccc(C)c(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nn2)c1 ZINC001165027875 721825834 /nfs/dbraw/zinc/82/58/34/721825834.db2.gz UQCGDONHMIHZTO-PMWMKWCKSA-N 1 1 427.596 4.892 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nnc(Cl)c4ccc(F)cc43)C[C@@H]21 ZINC001165027443 721828070 /nfs/dbraw/zinc/82/80/70/721828070.db2.gz SDLFMAFFUJNJNB-ONGXBYRLSA-N 1 1 425.939 4.554 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc5ccc(F)cc54)CC3)C2)cc1 ZINC001164938769 721921911 /nfs/dbraw/zinc/92/19/11/721921911.db2.gz QZKKFLHMTKMEHP-UHFFFAOYSA-N 1 1 440.950 4.602 20 0 IJADMO FC(F)(c1cc(Cl)nc(Cl)n1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001165045079 721939571 /nfs/dbraw/zinc/93/95/71/721939571.db2.gz RNTMEFAKCUGMGW-UHFFFAOYSA-N 1 1 444.700 4.857 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)nc1 ZINC001164948313 721968124 /nfs/dbraw/zinc/96/81/24/721968124.db2.gz SYGSRHVIEGPIEW-PBWSGDRGSA-N 1 1 446.639 4.788 20 0 IJADMO Clc1cccc2c1nc(Cl)nc2N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164953685 722016434 /nfs/dbraw/zinc/01/64/34/722016434.db2.gz XCNXIWDVKDXXDE-UHFFFAOYSA-N 1 1 428.367 4.824 20 0 IJADMO FC(F)(c1nc2ccccc2nc1Cl)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164956201 722019516 /nfs/dbraw/zinc/01/95/16/722019516.db2.gz XWSOVCWNHIFUJT-UHFFFAOYSA-N 1 1 443.929 4.716 20 0 IJADMO CSc1ccc(Oc2cc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)ncn2)cc1 ZINC001164955497 722020724 /nfs/dbraw/zinc/02/07/24/722020724.db2.gz JLAKQAUGGXUUOB-UHFFFAOYSA-N 1 1 447.608 4.878 20 0 IJADMO Fc1cc2ccnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2cc1Cl ZINC001164959996 722061376 /nfs/dbraw/zinc/06/13/76/722061376.db2.gz CBNCJTJCLAEIRP-UHFFFAOYSA-N 1 1 440.950 4.541 20 0 IJADMO Cc1nc(CN2CCO[C@H]3CCN(c4cc(C)c5ccc(C)c(C)c5[nH+]4)CC[C@@H]32)cs1 ZINC001164990646 722185446 /nfs/dbraw/zinc/18/54/46/722185446.db2.gz RIZLAXIOQLGRDJ-GOTSBHOMSA-N 1 1 436.625 4.795 20 0 IJADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)c2cnc(Cl)nc2Cl)C3)c1 ZINC001164994179 722192531 /nfs/dbraw/zinc/19/25/31/722192531.db2.gz LDLPCZOPCQKEBN-SFHVURJKSA-N 1 1 431.289 4.712 20 0 IJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)c2cnc(Cl)nc2Cl)C3)c1 ZINC001164994179 722192532 /nfs/dbraw/zinc/19/25/32/722192532.db2.gz LDLPCZOPCQKEBN-SFHVURJKSA-N 1 1 431.289 4.712 20 0 IJADMO O=C(Nc1ccccc1)c1ccnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995607 722200093 /nfs/dbraw/zinc/20/00/93/722200093.db2.gz OOKLYKVVHOGSOR-AREMUKBSSA-N 1 1 430.527 4.718 20 0 IJADMO COc1ccc(C(F)(F)N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1Cl ZINC001164997262 722202783 /nfs/dbraw/zinc/20/27/83/722202783.db2.gz XQYSMPCUDZQTRD-HXUWFJFHSA-N 1 1 425.882 4.673 20 0 IJADMO COc1ccc(C(F)(F)N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1Cl ZINC001164997262 722202788 /nfs/dbraw/zinc/20/27/88/722202788.db2.gz XQYSMPCUDZQTRD-HXUWFJFHSA-N 1 1 425.882 4.673 20 0 IJADMO COc1cccc(Oc2cncc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)n2)c1 ZINC001164994444 722205226 /nfs/dbraw/zinc/20/52/26/722205226.db2.gz HCLAYMNXSWISGA-VWLOTQADSA-N 1 1 434.515 4.662 20 0 IJADMO c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4COC[C@H]4C3)c2c1-c1ccccc1 ZINC001164387553 718818957 /nfs/dbraw/zinc/81/89/57/718818957.db2.gz IAYYKODPLLNUBB-WOJBJXKFSA-N 1 1 434.609 4.817 20 0 IJADMO COCc1cc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)nc(-c2ccccc2)n1 ZINC001164693923 719804367 /nfs/dbraw/zinc/80/43/67/719804367.db2.gz VTELXDPVISQWHJ-UHFFFAOYSA-N 1 1 449.624 4.690 20 0 IJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2nc(Cl)cc(Cl)n2)CC3)cs1 ZINC001164693853 719804376 /nfs/dbraw/zinc/80/43/76/719804376.db2.gz VJYJCQCGUFJRAC-UHFFFAOYSA-N 1 1 448.370 4.728 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2nc(Cl)cc(Cl)n2)CC3)cs1 ZINC001164693853 719804377 /nfs/dbraw/zinc/80/43/77/719804377.db2.gz VJYJCQCGUFJRAC-UHFFFAOYSA-N 1 1 448.370 4.728 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc4ccc(C)cc4nc2Cl)CC3)cs1 ZINC001164694519 719807966 /nfs/dbraw/zinc/80/79/66/719807966.db2.gz ZHBABIOLSVACTM-UHFFFAOYSA-N 1 1 428.005 4.992 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc4cccc(C)c42)CC3)cs1 ZINC001164693658 719812062 /nfs/dbraw/zinc/81/20/62/719812062.db2.gz XSDBDCSPRTWOIW-UHFFFAOYSA-N 1 1 428.005 4.992 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(-c4c(F)cccc4F)nn2)CC3)cs1 ZINC001164692649 719814414 /nfs/dbraw/zinc/81/44/14/719814414.db2.gz QPTWYHUPSSNMDZ-UHFFFAOYSA-N 1 1 441.551 4.822 20 0 IJADMO Fc1ccc2c(c1)cc(Cl)nc2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164700781 719886215 /nfs/dbraw/zinc/88/62/15/719886215.db2.gz LIBHEIMTKHRLMX-UHFFFAOYSA-N 1 1 431.964 4.960 20 0 IJADMO CC(C)c1nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc(C(C)(C)C)n1 ZINC001164705893 719901394 /nfs/dbraw/zinc/90/13/94/719901394.db2.gz FGUUKSSHOOVJAR-UHFFFAOYSA-N 1 1 428.646 4.830 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3ccc(Cl)nc3c1)C2 ZINC001164809936 720104041 /nfs/dbraw/zinc/10/40/41/720104041.db2.gz IUBIQJZENIXVBX-SIKLNZKXSA-N 1 1 435.946 4.618 20 0 IJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C3CCCCC3)nc(C)n1)CC2 ZINC001164710821 720136535 /nfs/dbraw/zinc/13/65/35/720136535.db2.gz DDXMEIMOYGFZGC-XMMPIXPASA-N 1 1 449.643 4.735 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1c(C)c(Cl)nc3cc(F)cc(F)c31)C2 ZINC001164811369 720197158 /nfs/dbraw/zinc/19/71/58/720197158.db2.gz GSYIWXDZTIVGKS-QMHKHESXSA-N 1 1 435.946 4.660 20 0 IJADMO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724495 720358742 /nfs/dbraw/zinc/35/87/42/720358742.db2.gz KKNCTJDQHUZYHK-LEWJYISDSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724495 720358745 /nfs/dbraw/zinc/35/87/45/720358745.db2.gz KKNCTJDQHUZYHK-LEWJYISDSA-N 1 1 441.913 4.590 20 0 IJADMO Cc1ccc(-c2csc3ncnc(N4CC[C@H]5[C@H]4CC[N@H+]5Cc4cccnc4)c23)cc1 ZINC001164723140 720370862 /nfs/dbraw/zinc/37/08/62/720370862.db2.gz GHBICODWDZFFPY-FCHUYYIVSA-N 1 1 427.577 4.915 20 0 IJADMO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732024 720445579 /nfs/dbraw/zinc/44/55/79/720445579.db2.gz MUBBFCAJJYRRNB-RTWAWAEBSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732024 720445580 /nfs/dbraw/zinc/44/55/80/720445580.db2.gz MUBBFCAJJYRRNB-RTWAWAEBSA-N 1 1 441.913 4.590 20 0 IJADMO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)s1 ZINC001164726254 720452409 /nfs/dbraw/zinc/45/24/09/720452409.db2.gz BEMXNHPAAGNTHE-YADHBBJMSA-N 1 1 427.577 4.915 20 0 IJADMO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164729402 720457713 /nfs/dbraw/zinc/45/77/13/720457713.db2.gz HJOOYSCCRYDGLT-NHCUHLMSSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164729402 720457724 /nfs/dbraw/zinc/45/77/24/720457724.db2.gz HJOOYSCCRYDGLT-NHCUHLMSSA-N 1 1 441.913 4.590 20 0 IJADMO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164731576 720479092 /nfs/dbraw/zinc/47/90/92/720479092.db2.gz WNQPHKLRFZJFTC-NHCUHLMSSA-N 1 1 435.959 4.733 20 0 IJADMO Cc1csc2c1nc(Cl)cc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841376 720574853 /nfs/dbraw/zinc/57/48/53/720574853.db2.gz UJVURUJKMXZDDO-OKZBNKHCSA-N 1 1 430.021 4.832 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(Cl)nc4c(F)cccc34)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837122 720642062 /nfs/dbraw/zinc/64/20/62/720642062.db2.gz HENIMBVGRDKIHO-FUHIMQAGSA-N 1 1 427.955 4.602 20 0 IJADMO Cc1nc(C2CC2)nc(Cl)c1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164837045 720715505 /nfs/dbraw/zinc/71/55/05/720715505.db2.gz DBJGCVUBALEHBS-HXUWFJFHSA-N 1 1 426.992 4.576 20 0 IJADMO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164837881 720730007 /nfs/dbraw/zinc/73/00/07/720730007.db2.gz NJQZXHCKSKLHGF-TZIWHRDSSA-N 1 1 433.600 4.731 20 0 IJADMO Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2ccccc12 ZINC001164755964 720887473 /nfs/dbraw/zinc/88/74/73/720887473.db2.gz NUNCSUUQMAWVOQ-RBJSKKJNSA-N 1 1 442.607 4.693 20 0 IJADMO Cc1cc(Cl)c(C)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164758752 720893860 /nfs/dbraw/zinc/89/38/60/720893860.db2.gz ZAQUZXSWFZAOJX-WIOPSUGQSA-N 1 1 441.019 4.502 20 0 IJADMO CCc1cc2c(ccnc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)o1 ZINC001164754659 720935059 /nfs/dbraw/zinc/93/50/59/720935059.db2.gz WVDTVNZRTWVTRF-AJTFRIOCSA-N 1 1 446.595 4.540 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc3ccsc3c(Cl)n1)[C@H]2C ZINC001164862694 720939713 /nfs/dbraw/zinc/93/97/13/720939713.db2.gz XCDKQSVIWOMTMG-LBPRGKRZSA-N 1 1 440.951 4.508 20 0 IJADMO Cc1cccc(Oc2nc(Cl)ncc2N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1 ZINC001164858049 721019303 /nfs/dbraw/zinc/01/93/03/721019303.db2.gz FNDRGXZCOVWVGS-QGZVFWFLSA-N 1 1 440.979 4.849 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cnc(Cl)nc1Oc1cccc(F)c1)[C@@H]2C ZINC001164863756 721019479 /nfs/dbraw/zinc/01/94/79/721019479.db2.gz UXOKDKWRKJEVHX-OAHLLOKOSA-N 1 1 444.942 4.679 20 0 IJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCO[C@@]3(CCCN(c4cccc(C)c4)C3)C2)nc1 ZINC001164775273 721305614 /nfs/dbraw/zinc/30/56/14/721305614.db2.gz URCVBMNHTBWIBE-AHKZPQOWSA-N 1 1 434.628 4.813 20 0 IJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C)c4ccc(C)c(C)c4n3)C2)C1 ZINC001164780667 721367835 /nfs/dbraw/zinc/36/78/35/721367835.db2.gz GJGXBAQWDUQVCW-HHHXNRCGSA-N 1 1 448.611 4.884 20 0 IJADMO Clc1cc2nc(Cl)c(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nc2cc1Cl ZINC001164791467 721401856 /nfs/dbraw/zinc/40/18/56/721401856.db2.gz YQHFTYYAVBYKRZ-QWRGUYRKSA-N 1 1 440.787 4.615 20 0 IJADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164790244 721417742 /nfs/dbraw/zinc/41/77/42/721417742.db2.gz WTHCJYTWTABFIA-BETUJISGSA-N 1 1 435.380 4.575 20 0 IJADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164790244 721417743 /nfs/dbraw/zinc/41/77/43/721417743.db2.gz WTHCJYTWTABFIA-BETUJISGSA-N 1 1 435.380 4.575 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc3cc(F)c(F)cc3nc1Cl)CC2 ZINC001164792974 721494064 /nfs/dbraw/zinc/49/40/64/721494064.db2.gz WQVSLNPYMFERHR-UHFFFAOYSA-N 1 1 443.929 4.837 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1ccn3C1CCCC1)CC2 ZINC001164793022 721496575 /nfs/dbraw/zinc/49/65/75/721496575.db2.gz ZIOWODIHFRSAMV-UHFFFAOYSA-N 1 1 430.600 4.822 20 0 IJADMO COc1cccc(Oc2cncc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)n2)c1 ZINC001164795070 721497656 /nfs/dbraw/zinc/49/76/56/721497656.db2.gz COPUATKTDYQYIG-UHFFFAOYSA-N 1 1 445.567 4.554 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)nc1 ZINC001164900153 721506926 /nfs/dbraw/zinc/50/69/26/721506926.db2.gz ORRMTFQUBHFXII-XMMPIXPASA-N 1 1 447.627 4.575 20 0 IJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3cc(Cl)ccc32)[C@@H]2CCCO[C@H]21 ZINC001164801506 721545512 /nfs/dbraw/zinc/54/55/12/721545512.db2.gz FNRZAIRRSZIVHN-KJXAQDMKSA-N 1 1 443.378 4.805 20 0 IJADMO Cc1c(Cl)cnc(Cl)c1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906591 721721041 /nfs/dbraw/zinc/72/10/41/721721041.db2.gz NCICCJLMNGRBHA-IBGZPJMESA-N 1 1 427.326 4.830 20 0 IJADMO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164911256 721738036 /nfs/dbraw/zinc/73/80/36/721738036.db2.gz JRICJVZNGKTRKF-HXOBKFHXSA-N 1 1 440.542 4.604 20 0 IJADMO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164912538 721766802 /nfs/dbraw/zinc/76/68/02/721766802.db2.gz YZPPQJIHOJNYLJ-QGZVFWFLSA-N 1 1 430.556 4.654 20 0 IJADMO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164912538 721766806 /nfs/dbraw/zinc/76/68/06/721766806.db2.gz YZPPQJIHOJNYLJ-QGZVFWFLSA-N 1 1 430.556 4.654 20 0 IJADMO CSc1nc2sccc2c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165024570 721802709 /nfs/dbraw/zinc/80/27/09/721802709.db2.gz MFCWPQBEIZJTQZ-IPELMVKDSA-N 1 1 425.627 4.545 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3CCCCC4)C[C@@H]21 ZINC001165024201 721810388 /nfs/dbraw/zinc/81/03/88/721810388.db2.gz JPUNRGKIOACKGE-PIPMEXSNSA-N 1 1 426.008 4.531 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)C[C@@H]21 ZINC001165024152 721812273 /nfs/dbraw/zinc/81/22/73/721812273.db2.gz JEGNOFRUIFCCSY-MOXGXCLJSA-N 1 1 445.945 4.893 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)C[C@H]21 ZINC001165024157 721812481 /nfs/dbraw/zinc/81/24/81/721812481.db2.gz JEGNOFRUIFCCSY-XFQXTVEOSA-N 1 1 445.945 4.893 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3ccn4C3CCCC3)C[C@H]21 ZINC001165022689 721814575 /nfs/dbraw/zinc/81/45/75/721814575.db2.gz GRXCKZBFPYKJAQ-CTUHWIOQSA-N 1 1 430.600 4.678 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccccc4Cl)nn3)C[C@@H]21 ZINC001165024107 721818142 /nfs/dbraw/zinc/81/81/42/721818142.db2.gz IRYUPQDLPPLIQQ-UTSGNWPNSA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3OCc3ccccc3)C[C@@H]21 ZINC001165019719 721823075 /nfs/dbraw/zinc/82/30/75/721823075.db2.gz BIFGLZNSHJTKKL-PZUNEJSGSA-N 1 1 428.580 4.793 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C[C@@H]21 ZINC001165027373 721831414 /nfs/dbraw/zinc/83/14/14/721831414.db2.gz RZTUSYPYFJVZDQ-DZFGPLHGSA-N 1 1 446.973 4.987 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCC4)C[C@@H]21 ZINC001165029559 721832341 /nfs/dbraw/zinc/83/23/41/721832341.db2.gz XFKMXYCDMWUPGK-XWFZLUIHSA-N 1 1 446.973 4.901 20 0 IJADMO c1ccc(-c2nsc3c2ncnc3N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001164955255 722022222 /nfs/dbraw/zinc/02/22/22/722022222.db2.gz CDCYYKRMPCALHI-UHFFFAOYSA-N 1 1 442.592 4.641 20 0 IJADMO FC(F)(c1cc(Cl)nc2c1CCC2)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164964241 722024949 /nfs/dbraw/zinc/02/49/49/722024949.db2.gz VYMNDNIPGIIONT-UHFFFAOYSA-N 1 1 432.946 4.656 20 0 IJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3onc(COc4ccccn4)c3C2)nc1 ZINC001164968995 722083114 /nfs/dbraw/zinc/08/31/14/722083114.db2.gz IZQJEOSBNHKMCJ-QFIPXVFZSA-N 1 1 433.556 4.543 20 0 IJADMO Clc1ccc2ccc(Cl)c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2n1 ZINC001164977178 722153354 /nfs/dbraw/zinc/15/33/54/722153354.db2.gz YERLYOIVPHRXEF-QUCCMNQESA-N 1 1 443.378 4.664 20 0 IJADMO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(C)c5ccc(C)c(C)c5[nH+]4)CC[C@@H]32)cs1 ZINC001164990650 722185382 /nfs/dbraw/zinc/18/53/82/722185382.db2.gz RIZLAXIOQLGRDJ-XZOQPEGZSA-N 1 1 436.625 4.795 20 0 IJADMO CCCOc1c(Br)cc(Br)cc1CNC[C@H]1CCC[N@H+]1CC ZINC000020967925 520290980 /nfs/dbraw/zinc/29/09/80/520290980.db2.gz NJRRUFSWTWCBIE-OAHLLOKOSA-N 1 1 434.216 4.574 20 0 IJADMO CCCOc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCCN1CC ZINC000020967925 520290983 /nfs/dbraw/zinc/29/09/83/520290983.db2.gz NJRRUFSWTWCBIE-OAHLLOKOSA-N 1 1 434.216 4.574 20 0 IJADMO OCC[C@@H]1CC12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164393804 718811502 /nfs/dbraw/zinc/81/15/02/718811502.db2.gz WTHSMEGNGVMPPW-GOSISDBHSA-N 1 1 440.657 4.545 20 0 IJADMO CC(C)c1nccc([C@@H]2C[C@@H]3CCN(c4nc(Cl)ccc4C[NH+]4CCCC4)C[C@@H]3O2)n1 ZINC001164640877 719261736 /nfs/dbraw/zinc/26/17/36/719261736.db2.gz TWCKMYTYTABDDS-YYWHXJBOSA-N 1 1 442.007 4.601 20 0 IJADMO CCOc1ccc(-c2ccc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)nn2)cc1 ZINC001164691531 719815345 /nfs/dbraw/zinc/81/53/45/719815345.db2.gz GGANHSLLQBBACG-UHFFFAOYSA-N 1 1 449.624 4.942 20 0 IJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(-c3ccccc3)ccn1)CC2 ZINC001164716048 720107362 /nfs/dbraw/zinc/10/73/62/720107362.db2.gz ISFFBUGMKRRPNN-VWLOTQADSA-N 1 1 428.580 4.651 20 0 IJADMO Clc1ccc(-c2nc3c(c(N4CC[C@H]5[C@H]4CC[N@H+]5Cc4cccnc4)n2)CCC3)s1 ZINC001164733870 720461450 /nfs/dbraw/zinc/46/14/50/720461450.db2.gz QIVKFLGJQBQCIK-RBUKOAKNSA-N 1 1 438.000 4.595 20 0 IJADMO Clc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164725289 720476768 /nfs/dbraw/zinc/47/67/68/720476768.db2.gz JGIBMXWBIJDCCN-RBUKOAKNSA-N 1 1 442.350 4.824 20 0 IJADMO Clc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164725285 720477680 /nfs/dbraw/zinc/47/76/80/720477680.db2.gz JGIBMXWBIJDCCN-MOPGFXCFSA-N 1 1 442.350 4.824 20 0 IJADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724493 720488184 /nfs/dbraw/zinc/48/81/84/720488184.db2.gz GOESREDYFFHQRV-LEWJYISDSA-N 1 1 432.946 4.797 20 0 IJADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724493 720488191 /nfs/dbraw/zinc/48/81/91/720488191.db2.gz GOESREDYFFHQRV-LEWJYISDSA-N 1 1 432.946 4.797 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(Cl)ncc3Cl)CC[C@@H]21 ZINC001164840030 720512453 /nfs/dbraw/zinc/51/24/53/720512453.db2.gz VZGLSYIRJVINIY-MPGHIAIKSA-N 1 1 444.357 4.508 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)cc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834022 720514078 /nfs/dbraw/zinc/51/40/78/720514078.db2.gz FDZYSUKRWOVTJW-RLFYNMQTSA-N 1 1 444.357 4.508 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)cnc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841340 720514386 /nfs/dbraw/zinc/51/43/86/720514386.db2.gz YLPJHLFZUOUXMQ-UWWQBHOKSA-N 1 1 444.357 4.508 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc4ccc(Cl)cc4nc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842505 720528775 /nfs/dbraw/zinc/52/87/75/720528775.db2.gz XYRZRAJGKGHHTC-RIFZZMRRSA-N 1 1 445.398 4.511 20 0 IJADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164843544 720636208 /nfs/dbraw/zinc/63/62/08/720636208.db2.gz XWZLWTRIJFJAHI-FRYIKTPZSA-N 1 1 431.028 4.526 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(Cl)nc4c(F)cccc34)CC[C@@H]21 ZINC001164837124 720643144 /nfs/dbraw/zinc/64/31/44/720643144.db2.gz HENIMBVGRDKIHO-UWVAXJGDSA-N 1 1 427.955 4.602 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839935 720650079 /nfs/dbraw/zinc/65/00/79/720650079.db2.gz LCBZBBJRUJFKDY-SLYNCCJLSA-N 1 1 449.977 4.732 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3[nH]cc(Cl)c31)CC2 ZINC001164838135 720659236 /nfs/dbraw/zinc/65/92/36/720659236.db2.gz GASJIYUBDQIQGT-INIZCTEOSA-N 1 1 446.382 4.525 20 0 IJADMO CSc1nc2ccsc2c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842063 720686535 /nfs/dbraw/zinc/68/65/35/720686535.db2.gz LLHSPUYSLYUFBZ-SFHVURJKSA-N 1 1 440.638 4.673 20 0 IJADMO Cc1cc(Cl)nc(C(F)(F)N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164845249 720697783 /nfs/dbraw/zinc/69/77/83/720697783.db2.gz XFXCKISARBLFBV-LJQANCHMSA-N 1 1 435.946 4.848 20 0 IJADMO Cc1nc2c3ccccc3oc2c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164845314 720700836 /nfs/dbraw/zinc/70/08/36/720700836.db2.gz YCVBJTURYALYLC-OAQYLSRUSA-N 1 1 442.563 4.944 20 0 IJADMO Fc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2ccccc12 ZINC001164756939 720891706 /nfs/dbraw/zinc/89/17/06/720891706.db2.gz SLEBRYLKDOEZHF-AMGIVPHBSA-N 1 1 446.570 4.524 20 0 IJADMO Fc1ccc2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164755391 720891756 /nfs/dbraw/zinc/89/17/56/720891756.db2.gz LUYZDQCYZYXCAW-HOFKKMOUSA-N 1 1 446.570 4.524 20 0 IJADMO Cc1ccccc1Oc1nc(Cl)ncc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164864593 721019692 /nfs/dbraw/zinc/01/96/92/721019692.db2.gz YIMXKXXRJHMAQH-QGZVFWFLSA-N 1 1 440.979 4.849 20 0 IJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4cc3Cl)C2)C1 ZINC001164779786 721344831 /nfs/dbraw/zinc/34/48/31/721344831.db2.gz WMUVDFPKFRLOIG-XMMPIXPASA-N 1 1 440.975 4.612 20 0 IJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4cc3Cl)C2)C1 ZINC001164779786 721344835 /nfs/dbraw/zinc/34/48/35/721344835.db2.gz WMUVDFPKFRLOIG-XMMPIXPASA-N 1 1 440.975 4.612 20 0 IJADMO Cc1sc2ncnc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c2c1-c1ccccc1 ZINC001164785433 721426318 /nfs/dbraw/zinc/42/63/18/721426318.db2.gz MYTVVPXYQXLLMY-ROUUACIJSA-N 1 1 433.606 4.691 20 0 IJADMO c1csc(C[N@H+]2C[C@H]3CN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)C[C@H]3C2)n1 ZINC001164785644 721431297 /nfs/dbraw/zinc/43/12/97/721431297.db2.gz NUXNVWPRHSZWPT-ZRZAMGCNSA-N 1 1 439.588 4.835 20 0 IJADMO c1csc(C[N@@H+]2C[C@H]3CN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)C[C@H]3C2)n1 ZINC001164785644 721431301 /nfs/dbraw/zinc/43/13/01/721431301.db2.gz NUXNVWPRHSZWPT-ZRZAMGCNSA-N 1 1 439.588 4.835 20 0 IJADMO Clc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164782716 721436129 /nfs/dbraw/zinc/43/61/29/721436129.db2.gz HNIVKBJVJOLACX-OKILXGFUSA-N 1 1 448.379 4.600 20 0 IJADMO Clc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164782716 721436133 /nfs/dbraw/zinc/43/61/33/721436133.db2.gz HNIVKBJVJOLACX-OKILXGFUSA-N 1 1 448.379 4.600 20 0 IJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3cc(Cl)ccc3n1)CC2 ZINC001164790283 721452733 /nfs/dbraw/zinc/45/27/33/721452733.db2.gz XVFQOUQMKHGLNY-JOCHJYFZSA-N 1 1 444.019 4.622 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)Cc2ccccc2CN(C)C3=O)nc1 ZINC001164892662 721473900 /nfs/dbraw/zinc/47/39/00/721473900.db2.gz HIWKVANIYWFYKB-RUZDIDTESA-N 1 1 446.639 4.820 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3c1CCCCC3)CC2 ZINC001164791949 721494729 /nfs/dbraw/zinc/49/47/29/721494729.db2.gz GGFYNSNOKVCWNV-UHFFFAOYSA-N 1 1 426.008 4.675 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cccc(OCc3ccccc3)n1)CC2 ZINC001164796784 721498821 /nfs/dbraw/zinc/49/88/21/721498821.db2.gz XMAPZYYZLNIYEX-UHFFFAOYSA-N 1 1 428.580 4.937 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1c(Cl)nc(Cl)nc1C1CC1)CC2 ZINC001164794990 721503946 /nfs/dbraw/zinc/50/39/46/721503946.db2.gz HAMZOHDMMMGSKU-UHFFFAOYSA-N 1 1 432.399 4.937 20 0 IJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)ccc3ccc(Cl)nc32)[C@@H]2CCCO[C@H]21 ZINC001164802640 721588876 /nfs/dbraw/zinc/58/88/76/721588876.db2.gz HMLPMLVBZIYBPV-DNVFCKCGSA-N 1 1 443.378 4.805 20 0 IJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)ccc3ccc(Cl)nc32)[C@H]2CCCO[C@H]12 ZINC001164802647 721588950 /nfs/dbraw/zinc/58/89/50/721588950.db2.gz HMLPMLVBZIYBPV-YYDVJCTNSA-N 1 1 443.378 4.805 20 0 IJADMO Cc1cc2c(nc(Cl)nc2N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)s1 ZINC001164907426 721696616 /nfs/dbraw/zinc/69/66/16/721696616.db2.gz SLHKPWVIMBMUND-HXUWFJFHSA-N 1 1 449.958 4.786 20 0 IJADMO Cc1cc(Cl)ncc1C(F)(F)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907712 721705957 /nfs/dbraw/zinc/70/59/57/721705957.db2.gz SQCMGQXOHSWGQZ-LJQANCHMSA-N 1 1 442.888 4.721 20 0 IJADMO Fc1cc2ncnc(Cl)c2c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907278 721719360 /nfs/dbraw/zinc/71/93/60/721719360.db2.gz QJZVJDDXAOUIND-NRFANRHFSA-N 1 1 447.892 4.555 20 0 IJADMO CCc1ccc(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)cc1 ZINC001164909120 721728871 /nfs/dbraw/zinc/72/88/71/721728871.db2.gz BVXFKFRSHFZSQX-RUZDIDTESA-N 1 1 449.549 4.839 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c(F)cccc31)C2 ZINC001164907821 721752108 /nfs/dbraw/zinc/75/21/08/721752108.db2.gz BBKXMTFQQAZSEG-UHFFFAOYSA-N 1 1 437.906 4.605 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c(F)cccc31)C2 ZINC001164907821 721752118 /nfs/dbraw/zinc/75/21/18/721752118.db2.gz BBKXMTFQQAZSEG-UHFFFAOYSA-N 1 1 437.906 4.605 20 0 IJADMO CSc1nc2sccc2c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165024572 721802841 /nfs/dbraw/zinc/80/28/41/721802841.db2.gz MFCWPQBEIZJTQZ-KFKAGJAMSA-N 1 1 425.627 4.545 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccc(Cl)cc4)nn3)C[C@@H]21 ZINC001165025002 721803558 /nfs/dbraw/zinc/80/35/58/721803558.db2.gz NAGHCNAVMRXERH-WNOPAQSVSA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c(F)cccc43)C[C@H]21 ZINC001165024295 721809975 /nfs/dbraw/zinc/80/99/75/721809975.db2.gz KHCBTTIOWVVZBP-XFQXTVEOSA-N 1 1 425.939 4.554 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cncc(Oc4cccc(F)c4)n3)C[C@H]21 ZINC001165023536 721818912 /nfs/dbraw/zinc/81/89/12/721818912.db2.gz HQCNHWHTDUVSSD-SXSPYAJSSA-N 1 1 433.531 4.540 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(C(F)F)nc4ccc(F)cc43)C[C@@H]21 ZINC001165025087 721829241 /nfs/dbraw/zinc/82/92/41/721829241.db2.gz LOMPPFWHQVFJLC-PAXLWEDBSA-N 1 1 441.501 4.838 20 0 IJADMO c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3c2cc(-c3nc(-c4cccs4)no3)ccn2)c1 ZINC001164937171 721914198 /nfs/dbraw/zinc/91/41/98/721914198.db2.gz IIKPERGHGDFQNJ-CALCHBBNSA-N 1 1 435.578 4.775 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc5c(C)cccc54)CC3)C2)cc1 ZINC001164939386 721924776 /nfs/dbraw/zinc/92/47/76/721924776.db2.gz LFEJAEZWMDZAGR-UHFFFAOYSA-N 1 1 436.987 4.771 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cccc(-c5cccc(Cl)n5)n4)CC3)C2)cc1 ZINC001164939717 721926536 /nfs/dbraw/zinc/92/65/36/721926536.db2.gz LSPSHHFUIBQVSL-UHFFFAOYSA-N 1 1 448.998 4.977 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(C(F)F)nc5ccccc54)CC3)C2)cc1 ZINC001164940239 721932127 /nfs/dbraw/zinc/93/21/27/721932127.db2.gz TXCHCVBIWHKWKI-UHFFFAOYSA-N 1 1 438.522 4.747 20 0 IJADMO FC(F)(c1nc(Cl)cc(Cl)n1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001165044154 721940060 /nfs/dbraw/zinc/94/00/60/721940060.db2.gz KSSUIKGRXHZQOP-UHFFFAOYSA-N 1 1 444.700 4.857 20 0 IJADMO CSc1ccc(C(F)(F)N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1Cl ZINC001164955286 722018938 /nfs/dbraw/zinc/01/89/38/722018938.db2.gz DHTKUZZWEGWLNG-UHFFFAOYSA-N 1 1 438.975 4.889 20 0 IJADMO c1cc2c(nc(-c3ccncc3)nc2N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)s1 ZINC001164957968 722023986 /nfs/dbraw/zinc/02/39/86/722023986.db2.gz COBIYYFKLPPNNX-UHFFFAOYSA-N 1 1 442.592 4.641 20 0 IJADMO COc1cc2c(cc1F)cc(Cl)nc2N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164964730 722024870 /nfs/dbraw/zinc/02/48/70/722024870.db2.gz YANTWQFVSXQHHZ-UHFFFAOYSA-N 1 1 440.950 4.923 20 0 IJADMO Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983197 722109656 /nfs/dbraw/zinc/10/96/56/722109656.db2.gz YLHGSSUHCGBGBP-HTAPYJJXSA-N 1 1 443.378 4.664 20 0 IJADMO Clc1ccc2ccc(Cl)c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2n1 ZINC001164977171 722153228 /nfs/dbraw/zinc/15/32/28/722153228.db2.gz YERLYOIVPHRXEF-AZUAARDMSA-N 1 1 443.378 4.664 20 0 IJADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCC[C@]3(C[C@@H](OCC4CCCC4)CO3)C2)n1 ZINC001164975975 722165083 /nfs/dbraw/zinc/16/50/83/722165083.db2.gz BCVQSMUKMIKQDZ-QPPBQGQZSA-N 1 1 434.024 4.666 20 0 IJADMO CCOc1c(Br)cc(Br)cc1C[NH2+]Cc1ccccc1OC ZINC000013720617 557387805 /nfs/dbraw/zinc/38/78/05/557387805.db2.gz HRZPOFNJXXDLTD-UHFFFAOYSA-N 1 1 429.152 4.909 20 0 IJADMO Fc1cccc(Oc2nc(Cl)nc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)n2)c1 ZINC001164632320 719086455 /nfs/dbraw/zinc/08/64/55/719086455.db2.gz ZHDRFSJAMSARMH-PXNSSMCTSA-N 1 1 439.922 4.557 20 0 IJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cnc(Cl)c(F)c2)CC3)cs1 ZINC001164693084 719807763 /nfs/dbraw/zinc/80/77/63/719807763.db2.gz PSKDTRPPXBZRFB-UHFFFAOYSA-N 1 1 430.927 4.819 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cnc(Cl)c(F)c2)CC3)cs1 ZINC001164693084 719807765 /nfs/dbraw/zinc/80/77/65/719807765.db2.gz PSKDTRPPXBZRFB-UHFFFAOYSA-N 1 1 430.927 4.819 20 0 IJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(-c3ccccc3)ccn1)CC2 ZINC001164716045 720106677 /nfs/dbraw/zinc/10/66/77/720106677.db2.gz ISFFBUGMKRRPNN-RUZDIDTESA-N 1 1 428.580 4.651 20 0 IJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3cc(Cl)ccc31)CC2 ZINC001164714880 720111343 /nfs/dbraw/zinc/11/13/43/720111343.db2.gz DACLGSSMUBHLPI-QFIPXVFZSA-N 1 1 436.987 4.791 20 0 IJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3cccc(Cl)c31)CC2 ZINC001164718648 720120215 /nfs/dbraw/zinc/12/02/15/720120215.db2.gz UILOXXLNAKHPDH-OAQYLSRUSA-N 1 1 436.987 4.791 20 0 IJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1c(C)c(Cl)cnc1Cl)CC2 ZINC001164713603 720135085 /nfs/dbraw/zinc/13/50/85/720135085.db2.gz SQWGXQREHFBMRT-GOSISDBHSA-N 1 1 435.399 4.599 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nnc(-c3ccc(C)cc3)c3ccccc31)C2 ZINC001164813636 720161662 /nfs/dbraw/zinc/16/16/62/720161662.db2.gz CWIHYIQDHZKGLZ-NEKDWFFYSA-N 1 1 442.607 4.790 20 0 IJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nnc(-c3ccc(F)cc3)c3ccccc31)C2 ZINC001164813712 720170321 /nfs/dbraw/zinc/17/03/21/720170321.db2.gz DRZRZGJHQPJRSA-KDYSTLNUSA-N 1 1 446.570 4.621 20 0 IJADMO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728573 720430207 /nfs/dbraw/zinc/43/02/07/720430207.db2.gz FSEKVGYRVMGRAW-HUUCEWRRSA-N 1 1 433.717 4.835 20 0 IJADMO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164728573 720430212 /nfs/dbraw/zinc/43/02/12/720430212.db2.gz FSEKVGYRVMGRAW-HUUCEWRRSA-N 1 1 433.717 4.835 20 0 IJADMO Cc1sc2ncnc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1-c1ccccc1 ZINC001164734425 720440712 /nfs/dbraw/zinc/44/07/12/720440712.db2.gz RZARAGGDWQJEJF-SFTDATJTSA-N 1 1 427.577 4.915 20 0 IJADMO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727789 720445543 /nfs/dbraw/zinc/44/55/43/720445543.db2.gz FBRSDYWVFYDDMQ-ZWKOTPCHSA-N 1 1 447.942 4.652 20 0 IJADMO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164727789 720445551 /nfs/dbraw/zinc/44/55/51/720445551.db2.gz FBRSDYWVFYDDMQ-ZWKOTPCHSA-N 1 1 447.942 4.652 20 0 IJADMO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727781 720446912 /nfs/dbraw/zinc/44/69/12/720446912.db2.gz FBRSDYWVFYDDMQ-QZTJIDSGSA-N 1 1 447.942 4.652 20 0 IJADMO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164727781 720446923 /nfs/dbraw/zinc/44/69/23/720446923.db2.gz FBRSDYWVFYDDMQ-QZTJIDSGSA-N 1 1 447.942 4.652 20 0 IJADMO Clc1ccc(-c2nc3c(c(N4CC[C@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)n2)CCC3)s1 ZINC001164733869 720461392 /nfs/dbraw/zinc/46/13/92/720461392.db2.gz QIVKFLGJQBQCIK-OALUTQOASA-N 1 1 438.000 4.595 20 0 IJADMO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730933 720465203 /nfs/dbraw/zinc/46/52/03/720465203.db2.gz JUZKMHSSYVARRE-RTWAWAEBSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730933 720465208 /nfs/dbraw/zinc/46/52/08/720465208.db2.gz JUZKMHSSYVARRE-RTWAWAEBSA-N 1 1 441.913 4.590 20 0 IJADMO Fc1ccc(-c2nc(Cl)cc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n2)cc1Cl ZINC001164724431 720472289 /nfs/dbraw/zinc/47/22/89/720472289.db2.gz GGPXPTPQUCUZHE-RTBURBONSA-N 1 1 444.341 4.838 20 0 IJADMO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164731973 720476798 /nfs/dbraw/zinc/47/67/98/720476798.db2.gz YHFWMMAPLYIELN-LEWJYISDSA-N 1 1 435.959 4.733 20 0 IJADMO Clc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726269 720476851 /nfs/dbraw/zinc/47/68/51/720476851.db2.gz KYQAVNZZYXTPQY-ROUUACIJSA-N 1 1 442.350 4.824 20 0 IJADMO Clc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726264 720477454 /nfs/dbraw/zinc/47/74/54/720477454.db2.gz KYQAVNZZYXTPQY-MSOLQXFVSA-N 1 1 442.350 4.824 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4ccc(Cl)cc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834444 720507822 /nfs/dbraw/zinc/50/78/22/720507822.db2.gz GNFMXMSOLIVYHX-OXFYSEKESA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4ccc(Cl)cc43)CC[C@@H]21 ZINC001164834443 720508029 /nfs/dbraw/zinc/50/80/29/720508029.db2.gz GNFMXMSOLIVYHX-KNBMTAEXSA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(Cl)c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833836 720511761 /nfs/dbraw/zinc/51/17/61/720511761.db2.gz DRQHITNHIIBYMO-BHYGNILZSA-N 1 1 444.357 4.508 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3)CC[C@@H]21 ZINC001164833853 720512324 /nfs/dbraw/zinc/51/23/24/720512324.db2.gz DRQHITNHIIBYMO-XIRDDKMYSA-N 1 1 444.357 4.508 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)cnc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841338 720513926 /nfs/dbraw/zinc/51/39/26/720513926.db2.gz YLPJHLFZUOUXMQ-QILLFSRXSA-N 1 1 444.357 4.508 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cc4c(Cl)ccnc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839633 720538930 /nfs/dbraw/zinc/53/89/30/720538930.db2.gz QWYVTCOFVJXRSB-JTDSTZFVSA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(SCc4ccccc4)ccn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841577 720618661 /nfs/dbraw/zinc/61/86/61/720618661.db2.gz TXFZHHRFOHWDJM-GIFXNVAJSA-N 1 1 447.652 4.948 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839932 720650149 /nfs/dbraw/zinc/65/01/49/720650149.db2.gz LCBZBBJRUJFKDY-HFSMHLIXSA-N 1 1 449.977 4.732 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cc4cccc(F)c43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836931 720651253 /nfs/dbraw/zinc/65/12/53/720651253.db2.gz AGMHNKOVZSQODW-CMKODMSKSA-N 1 1 427.955 4.602 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c(F)c1)CC2 ZINC001164845356 720688083 /nfs/dbraw/zinc/68/80/83/720688083.db2.gz YRXNACNKGNUWBY-GOSISDBHSA-N 1 1 439.909 4.679 20 0 IJADMO COc1cc2ccnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2cc1OC ZINC001164840557 720695243 /nfs/dbraw/zinc/69/52/43/720695243.db2.gz GNNLTDNLPIPLNI-JOCHJYFZSA-N 1 1 447.579 4.512 20 0 IJADMO COc1cc2ccnc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2cc1OC ZINC001164840557 720695257 /nfs/dbraw/zinc/69/52/57/720695257.db2.gz GNNLTDNLPIPLNI-JOCHJYFZSA-N 1 1 447.579 4.512 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(-c3cccc(F)c3)nn1)CC2 ZINC001164836467 720718186 /nfs/dbraw/zinc/71/81/86/720718186.db2.gz BAIVWPKBUIOWOX-HSZRJFAPSA-N 1 1 432.543 4.543 20 0 IJADMO Cc1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2ccsc2)n1 ZINC001164837637 720719209 /nfs/dbraw/zinc/71/92/09/720719209.db2.gz FKUSISAKQUVSEZ-QFIPXVFZSA-N 1 1 434.609 4.773 20 0 IJADMO Cc1cnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1-c1ccccc1F ZINC001164842297 720726701 /nfs/dbraw/zinc/72/67/01/720726701.db2.gz XWNQKBRCEOMIKR-QFIPXVFZSA-N 1 1 446.570 4.851 20 0 IJADMO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164837879 720728731 /nfs/dbraw/zinc/72/87/31/720728731.db2.gz NJQZXHCKSKLHGF-PZJWPPBQSA-N 1 1 433.600 4.731 20 0 IJADMO Cc1nc([C@H]2COCCN2c2nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c32)cs1 ZINC001164753928 720864678 /nfs/dbraw/zinc/86/46/78/720864678.db2.gz ZEYAGHSFKLPDCD-GOSISDBHSA-N 1 1 443.642 4.637 20 0 IJADMO Clc1ccnc(Cl)c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749818 720887358 /nfs/dbraw/zinc/88/73/58/720887358.db2.gz ASDCXBVLYKOYGX-CVDCTZTESA-N 1 1 447.410 4.539 20 0 IJADMO Cc1ccc2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164758108 720888393 /nfs/dbraw/zinc/88/83/93/720888393.db2.gz WXSGUBUYGANYQE-LBNVMWSVSA-N 1 1 442.607 4.693 20 0 IJADMO Cc1cccc2c1ccnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758200 720891224 /nfs/dbraw/zinc/89/12/24/720891224.db2.gz XPBSXGICIVDCKC-RBJSKKJNSA-N 1 1 442.607 4.693 20 0 IJADMO Fc1cccc2c1ccnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754528 720894021 /nfs/dbraw/zinc/89/40/21/720894021.db2.gz JESLFACVPJHTGS-WXVAWEFUSA-N 1 1 446.570 4.524 20 0 IJADMO Cc1cc(Cl)c(C)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758832 720897528 /nfs/dbraw/zinc/89/75/28/720897528.db2.gz ZSTWLMDBAXICQK-RDGATRHJSA-N 1 1 441.019 4.502 20 0 IJADMO Fc1cccc2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc12 ZINC001164754896 720902143 /nfs/dbraw/zinc/90/21/43/720902143.db2.gz JMJMECLKHLKIOH-YIXXDRMTSA-N 1 1 446.570 4.524 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccccc3)nc3ccccc31)[C@@H]2C ZINC001164857017 720952211 /nfs/dbraw/zinc/95/22/11/720952211.db2.gz FHIKDFBXVMGCEA-LJQANCHMSA-N 1 1 426.568 4.915 20 0 IJADMO Cc1cccc(Oc2nc(Cl)ncc2N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1 ZINC001164858047 721019243 /nfs/dbraw/zinc/01/92/43/721019243.db2.gz FNDRGXZCOVWVGS-KRWDZBQOSA-N 1 1 440.979 4.849 20 0 IJADMO c1ccc(-c2cc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc3ccccc32)cc1 ZINC001164872214 721138980 /nfs/dbraw/zinc/13/89/80/721138980.db2.gz GXEJIDDMZJYSGB-RPWUZVMVSA-N 1 1 436.559 4.777 20 0 IJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCO[C@]3(CCCN(c4cccc(C)c4)C3)C2)nc1 ZINC001164775275 721305459 /nfs/dbraw/zinc/30/54/59/721305459.db2.gz URCVBMNHTBWIBE-BDYUSTAISA-N 1 1 434.628 4.813 20 0 IJADMO Clc1ccc2nc(-c3ccccc3)nc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164790479 721415765 /nfs/dbraw/zinc/41/57/65/721415765.db2.gz XVBKGQCRBVEUSW-QZTJIDSGSA-N 1 1 447.995 4.975 20 0 IJADMO Clc1ccc2nc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nc(-c3ccccc3)c2c1 ZINC001164783546 721424884 /nfs/dbraw/zinc/42/48/84/721424884.db2.gz IYFXBDIFOZYWHE-HDICACEKSA-N 1 1 447.995 4.975 20 0 IJADMO Clc1ccc2nc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nc(-c3ccccc3)c2c1 ZINC001164783546 721424887 /nfs/dbraw/zinc/42/48/87/721424887.db2.gz IYFXBDIFOZYWHE-HDICACEKSA-N 1 1 447.995 4.975 20 0 IJADMO Cc1ccc(-c2nnc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c3ccccc32)cc1 ZINC001164783876 721425060 /nfs/dbraw/zinc/42/50/60/721425060.db2.gz JTDXOAPGPRJWLO-BGYRXZFFSA-N 1 1 427.577 4.630 20 0 IJADMO Cc1ccc(-c2nnc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c3ccccc32)cc1 ZINC001164783876 721425064 /nfs/dbraw/zinc/42/50/64/721425064.db2.gz JTDXOAPGPRJWLO-BGYRXZFFSA-N 1 1 427.577 4.630 20 0 IJADMO Cc1ccc(-c2nnc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c3ccccc32)cc1C ZINC001164781233 721425933 /nfs/dbraw/zinc/42/59/33/721425933.db2.gz CNMYBLWKJSGQDE-NHCUHLMSSA-N 1 1 441.604 4.938 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)nc1 ZINC001164894485 721476253 /nfs/dbraw/zinc/47/62/53/721476253.db2.gz NBOYVMGUENXMME-SHQCIBLASA-N 1 1 447.627 4.575 20 0 IJADMO COc1cc2ccnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c2cc1OC ZINC001164792993 721495951 /nfs/dbraw/zinc/49/59/51/721495951.db2.gz XRPFEBNHXJFEPE-UHFFFAOYSA-N 1 1 432.568 4.528 20 0 IJADMO COc1cc2ccnc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2cc1OC ZINC001164792993 721495953 /nfs/dbraw/zinc/49/59/53/721495953.db2.gz XRPFEBNHXJFEPE-UHFFFAOYSA-N 1 1 432.568 4.528 20 0 IJADMO Cc1nc(C(F)(F)N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc(Cl)c1C ZINC001164795779 721497133 /nfs/dbraw/zinc/49/71/33/721497133.db2.gz LXBXYLPXEDJJPT-UHFFFAOYSA-N 1 1 435.950 4.568 20 0 IJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CCC[C@H](OCC5CC5)[C@@H]4C3)c2c1C ZINC001164901549 721498728 /nfs/dbraw/zinc/49/87/28/721498728.db2.gz WJKVDHFLHYZQMX-HBMCJLEFSA-N 1 1 440.657 4.935 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc3nc(Cl)cnc3cc1F)CC2 ZINC001164795087 721501311 /nfs/dbraw/zinc/50/13/11/721501311.db2.gz CVLBLTWRNGGUCY-UHFFFAOYSA-N 1 1 425.939 4.698 20 0 IJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccccc3)cc(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164799177 721552758 /nfs/dbraw/zinc/55/27/58/721552758.db2.gz BANXTYSBUVTGCE-RQTOMXEWSA-N 1 1 434.971 4.665 20 0 IJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2-c2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001164799113 721552777 /nfs/dbraw/zinc/55/27/77/721552777.db2.gz ASWZVVXCRJXAPG-AKFKNWHVSA-N 1 1 434.971 4.665 20 0 IJADMO Cc1cc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc(Cl)n1 ZINC001164904871 721584792 /nfs/dbraw/zinc/58/47/92/721584792.db2.gz HDNPKAFOWVRYNX-IBGZPJMESA-N 1 1 442.888 4.721 20 0 IJADMO Cc1cccc2c1nc(Cl)nc2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906242 721697587 /nfs/dbraw/zinc/69/75/87/721697587.db2.gz MORIUTZYDSLFPU-QFIPXVFZSA-N 1 1 443.929 4.724 20 0 IJADMO Fc1ccc2c(Cl)nnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164910632 721731920 /nfs/dbraw/zinc/73/19/20/721731920.db2.gz HCKCJPBLHPNEOV-OAQYLSRUSA-N 1 1 447.892 4.555 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(-c3ccnc(Cl)c3)ccn1)C2 ZINC001164908876 721749601 /nfs/dbraw/zinc/74/96/01/721749601.db2.gz NDKHMOQDHBGKIO-UHFFFAOYSA-N 1 1 445.954 4.980 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(-c3ccnc(Cl)c3)ccn1)C2 ZINC001164908876 721749605 /nfs/dbraw/zinc/74/96/05/721749605.db2.gz NDKHMOQDHBGKIO-UHFFFAOYSA-N 1 1 445.954 4.980 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4ccnc(Cl)c4)ccn3)C[C@H]21 ZINC001165027549 721805872 /nfs/dbraw/zinc/80/58/72/721805872.db2.gz WDPBURVSBRQROW-YMPZKCBVSA-N 1 1 433.987 4.929 20 0 IJADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165029008 721822995 /nfs/dbraw/zinc/82/29/95/721822995.db2.gz WKUSWTIWPJVSKQ-DFQSSKMNSA-N 1 1 428.024 4.868 20 0 IJADMO Cc1nc2sc3c(c2c(N2C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C2)n1)CCC3 ZINC001165025669 721823243 /nfs/dbraw/zinc/82/32/43/721823243.db2.gz NJRINTJTXTVVJJ-IOMROCGXSA-N 1 1 433.625 4.620 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4cccc(Cl)c4)nn3)C[C@@H]21 ZINC001165019865 721824385 /nfs/dbraw/zinc/82/43/85/721824385.db2.gz CIAYFIGZGCDZLV-WNOPAQSVSA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4cccc(Cl)c4)ncn3)C[C@@H]21 ZINC001165023218 721825618 /nfs/dbraw/zinc/82/56/18/721825618.db2.gz IIDQCTLXZWSEFL-NGYIFUPDSA-N 1 1 433.987 4.929 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(Cl)nc3-c3ccccc3)C[C@H]21 ZINC001165019871 721826854 /nfs/dbraw/zinc/82/68/54/721826854.db2.gz CIFDZRNRDOJNRD-CEMLEFRQSA-N 1 1 433.987 4.929 20 0 IJADMO CCc1ccc(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)cc1 ZINC001165028263 721826885 /nfs/dbraw/zinc/82/68/85/721826885.db2.gz UZZGQJQVUBOIDH-GGBSJPMNSA-N 1 1 427.596 4.838 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)ncc4-c4ccccc4)CC3)C2)cc1 ZINC001164940894 721926484 /nfs/dbraw/zinc/92/64/84/721926484.db2.gz VYSNVCRCCZEYPF-UHFFFAOYSA-N 1 1 448.998 4.977 20 0 IJADMO FC(F)(c1ccc(Cl)nc1Cl)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164954602 722012457 /nfs/dbraw/zinc/01/24/57/722012457.db2.gz MUTZMTVBJOFQCC-UHFFFAOYSA-N 1 1 427.326 4.821 20 0 IJADMO C[C@@H]1CCc2c(sc3ncnc(N4CCC5(CC[N@@H+](Cc6cccnc6)C5)CC4)c23)C1 ZINC001164951789 722016810 /nfs/dbraw/zinc/01/68/10/722016810.db2.gz DSWYRBZSHXVDCS-GOSISDBHSA-N 1 1 433.625 4.704 20 0 IJADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCC[C@]3(C[C@H](OCC4CCCC4)CO3)C2)n1 ZINC001164975976 722164977 /nfs/dbraw/zinc/16/49/77/722164977.db2.gz BCVQSMUKMIKQDZ-URXFXBBRSA-N 1 1 434.024 4.666 20 0 IJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C[C@H](OCC4CCCC4)CO3)C2)nc1 ZINC001164978974 722166336 /nfs/dbraw/zinc/16/63/36/722166336.db2.gz SOOJTPMVHPSZRK-GSLIJJQTSA-N 1 1 427.633 4.963 20 0 IJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ncnc4c2ccn4Cc2ccccc2)C3)c1 ZINC001164995636 722201848 /nfs/dbraw/zinc/20/18/48/722201848.db2.gz OSQFJHSRIDOCME-MHZLTWQESA-N 1 1 441.554 4.864 20 0 IJADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)c2cc(C4CC4)nnc2Cl)C3)c1 ZINC001164995491 722208297 /nfs/dbraw/zinc/20/82/97/722208297.db2.gz NUBNQVNYTYAJBK-NRFANRHFSA-N 1 1 436.909 4.936 20 0 IJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)c2cc(C4CC4)nnc2Cl)C3)c1 ZINC001164995491 722208301 /nfs/dbraw/zinc/20/83/01/722208301.db2.gz NUBNQVNYTYAJBK-NRFANRHFSA-N 1 1 436.909 4.936 20 0 IJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[C@@H](c4ccnc(C(C)C)n4)O[C@@H]3C2)nc1 ZINC001164634914 719263095 /nfs/dbraw/zinc/26/30/95/719263095.db2.gz GVEQQBPMJGAFIL-OUJCMCIWSA-N 1 1 435.616 4.898 20 0 IJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)COc2ccnc(Cl)c2)CC3)cs1 ZINC001164693820 719808078 /nfs/dbraw/zinc/80/80/78/719808078.db2.gz RLPXDXKTCDMZFJ-UHFFFAOYSA-N 1 1 442.963 4.602 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)COc2ccnc(Cl)c2)CC3)cs1 ZINC001164693820 719808082 /nfs/dbraw/zinc/80/80/82/719808082.db2.gz RLPXDXKTCDMZFJ-UHFFFAOYSA-N 1 1 442.963 4.602 20 0 IJADMO COc1cc2ccc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)nc2cc1OC ZINC001164692046 719810340 /nfs/dbraw/zinc/81/03/40/719810340.db2.gz FHIYOTCJULHZFK-UHFFFAOYSA-N 1 1 438.597 4.652 20 0 IJADMO COc1cccc(-c2ccc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)nn2)c1 ZINC001164692098 719813674 /nfs/dbraw/zinc/81/36/74/719813674.db2.gz LVPQDZHZGACTKA-UHFFFAOYSA-N 1 1 435.597 4.552 20 0 IJADMO Fc1ccc2cc(Cl)nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c1 ZINC001164695276 719889797 /nfs/dbraw/zinc/88/97/97/719889797.db2.gz KYXMVKIIUVUBPW-UHFFFAOYSA-N 1 1 431.964 4.960 20 0 IJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3ccccc31)CC2 ZINC001164711487 720093224 /nfs/dbraw/zinc/09/32/24/720093224.db2.gz PWCBZXPSYZMVQA-HXUWFJFHSA-N 1 1 436.987 4.791 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1c(Cl)nc(Cl)c(Cl)c1Cl)C2 ZINC001164805862 720094529 /nfs/dbraw/zinc/09/45/29/720094529.db2.gz AEOLGCVWJNRXIW-KZULUSFZSA-N 1 1 439.214 4.880 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3sc(C)c(-c4ccccc4)c31)C2 ZINC001164815641 720170930 /nfs/dbraw/zinc/17/09/30/720170930.db2.gz IRKOUCJXFVQXCE-QFQXNSOFSA-N 1 1 448.636 4.851 20 0 IJADMO Fc1ccc(-c2csc3ncnc(N4CC[C@H]5[C@H]4CC[N@H+]5Cc4cccnc4)c23)cc1 ZINC001164728551 720431417 /nfs/dbraw/zinc/43/14/17/720431417.db2.gz FRWYCIZYDBAULR-LEWJYISDSA-N 1 1 431.540 4.746 20 0 IJADMO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164735062 720437347 /nfs/dbraw/zinc/43/73/47/720437347.db2.gz VMDNBALHRVPUIK-NHCUHLMSSA-N 1 1 442.592 4.618 20 0 IJADMO Fc1ccc(-c2nc3ccccc3c(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n2)cc1 ZINC001164734444 720438590 /nfs/dbraw/zinc/43/85/90/720438590.db2.gz SEADDNYLYZEDAG-BJKOFHAPSA-N 1 1 425.511 4.684 20 0 IJADMO Fc1ccc(-c2nnc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c3ccccc32)cc1 ZINC001164731533 720439714 /nfs/dbraw/zinc/43/97/14/720439714.db2.gz LNOFWKIXMXLGSF-RPWUZVMVSA-N 1 1 425.511 4.684 20 0 IJADMO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732377 720469816 /nfs/dbraw/zinc/46/98/16/720469816.db2.gz ZLZMHIQVDZTKIV-HUUCEWRRSA-N 1 1 432.824 4.547 20 0 IJADMO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732377 720469819 /nfs/dbraw/zinc/46/98/19/720469819.db2.gz ZLZMHIQVDZTKIV-HUUCEWRRSA-N 1 1 432.824 4.547 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4cc(C(C)(C)C)sc43)CC[C@@H]21 ZINC001164840715 720523161 /nfs/dbraw/zinc/52/31/61/720523161.db2.gz XIOCNPSYHWVJOG-BJLQDIEVSA-N 1 1 438.645 4.563 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4cc(Cl)ccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836361 720541969 /nfs/dbraw/zinc/54/19/69/720541969.db2.gz JRHKXAYIYASIHP-OXFYSEKESA-N 1 1 445.398 4.511 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)CC[C@@H]21 ZINC001164839931 720650659 /nfs/dbraw/zinc/65/06/59/720650659.db2.gz LCBZBBJRUJFKDY-CUWPLCDZSA-N 1 1 449.977 4.732 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)ncc1F)CC2 ZINC001164840485 720688808 /nfs/dbraw/zinc/68/88/08/720688808.db2.gz FJPNGRVWXHVOAE-QGZVFWFLSA-N 1 1 439.909 4.679 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccnc1Oc1ccccc1)CC2 ZINC001164836910 720720562 /nfs/dbraw/zinc/72/05/62/720720562.db2.gz BSIDVJZUOCSMRH-QFIPXVFZSA-N 1 1 430.552 4.529 20 0 IJADMO Cc1c(Cl)nc(C2CCC2)nc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839322 720725676 /nfs/dbraw/zinc/72/56/76/720725676.db2.gz KXKPQIWFZZDSAH-NRFANRHFSA-N 1 1 441.019 4.966 20 0 IJADMO Cc1c(Cl)nc(C2CCC2)nc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839326 720726185 /nfs/dbraw/zinc/72/61/85/720726185.db2.gz KXKPQIWFZZDSAH-OAQYLSRUSA-N 1 1 441.019 4.966 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cncc(-c3ccc(F)cc3)n1)CC2 ZINC001164839609 720726654 /nfs/dbraw/zinc/72/66/54/720726654.db2.gz MDZVKDYWBMUBHH-QHCPKHFHSA-N 1 1 432.543 4.543 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1c(Cl)nc(Cl)nc1C1CC1)CC2 ZINC001164839772 720728308 /nfs/dbraw/zinc/72/83/08/720728308.db2.gz MVKZTGSHICRQPS-SFHVURJKSA-N 1 1 447.410 4.921 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)nc1 ZINC001164847944 720808435 /nfs/dbraw/zinc/80/84/35/720808435.db2.gz BBZCCJLHAKQBIU-NAKRPHOHSA-N 1 1 446.639 4.956 20 0 IJADMO Fc1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2c1 ZINC001164754578 720885483 /nfs/dbraw/zinc/88/54/83/720885483.db2.gz JLVIIDKOWHSCSD-HOFKKMOUSA-N 1 1 446.570 4.524 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(-c3cccc4ccccc43)nn1)[C@H]2C ZINC001164861059 721009944 /nfs/dbraw/zinc/00/99/44/721009944.db2.gz NKZVTZLXVNMHAQ-IBGZPJMESA-N 1 1 426.568 4.915 20 0 IJADMO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164782863 721399970 /nfs/dbraw/zinc/39/99/70/721399970.db2.gz GHTLDIZNEGUCLB-QZTJIDSGSA-N 1 1 446.954 4.972 20 0 IJADMO CCc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164781405 721437122 /nfs/dbraw/zinc/43/71/22/721437122.db2.gz DMSVBWASZQULKO-IAGOWNOFSA-N 1 1 441.988 4.509 20 0 IJADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164780429 721439729 /nfs/dbraw/zinc/43/97/29/721439729.db2.gz ADBLFLOKMHIHQX-GJZGRUSLSA-N 1 1 438.975 4.574 20 0 IJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3ccc(Cl)cc31)CC2 ZINC001164789448 721456177 /nfs/dbraw/zinc/45/61/77/721456177.db2.gz WIJLIQXDYCVMOJ-QFIPXVFZSA-N 1 1 444.019 4.622 20 0 IJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3c(Cl)cccc3n1)CC2 ZINC001164785584 721459105 /nfs/dbraw/zinc/45/91/05/721459105.db2.gz MFPRVOGKGHBMDH-FQEVSTJZSA-N 1 1 444.019 4.622 20 0 IJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3ccc(F)cc31)CC2 ZINC001164792134 721491478 /nfs/dbraw/zinc/49/14/78/721491478.db2.gz HDERVJJEJLMEBP-UHFFFAOYSA-N 1 1 425.939 4.698 20 0 IJADMO COc1ccc(C(F)(F)N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(Cl)n1 ZINC001164792485 721494638 /nfs/dbraw/zinc/49/46/38/721494638.db2.gz PJMUIJBSYZPEFA-UHFFFAOYSA-N 1 1 436.934 4.565 20 0 IJADMO CSc1nc2ccsc2c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904839 721700754 /nfs/dbraw/zinc/70/07/54/721700754.db2.gz GVYCATQPQOHSBI-HXUWFJFHSA-N 1 1 447.580 4.546 20 0 IJADMO Cc1cccc(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)c1 ZINC001164913096 721724216 /nfs/dbraw/zinc/72/42/16/721724216.db2.gz SMYBSUPZXLTNHU-XMMPIXPASA-N 1 1 435.522 4.585 20 0 IJADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@@H](c2ccccc2)[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC001164913136 721743389 /nfs/dbraw/zinc/74/33/89/721743389.db2.gz UHEUFQMIRSIHDF-NVQXNPDNSA-N 1 1 446.982 4.888 20 0 IJADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@H](c2ccccc2)[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC001164913135 721743543 /nfs/dbraw/zinc/74/35/43/721743543.db2.gz UHEUFQMIRSIHDF-GJZUVCINSA-N 1 1 446.982 4.888 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c1CCCCC3)C2 ZINC001164909020 721753033 /nfs/dbraw/zinc/75/30/33/721753033.db2.gz CSJXAAXRZJBFJG-UHFFFAOYSA-N 1 1 437.975 4.582 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c1CCCCC3)C2 ZINC001164909020 721753035 /nfs/dbraw/zinc/75/30/35/721753035.db2.gz CSJXAAXRZJBFJG-UHFFFAOYSA-N 1 1 437.975 4.582 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(C(F)F)nc3ccccc31)C2 ZINC001164911108 721762662 /nfs/dbraw/zinc/76/26/62/721762662.db2.gz MSEKOHUPAJXQAQ-UHFFFAOYSA-N 1 1 435.478 4.750 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(C(F)F)nc3ccccc31)C2 ZINC001164911108 721762667 /nfs/dbraw/zinc/76/26/67/721762667.db2.gz MSEKOHUPAJXQAQ-UHFFFAOYSA-N 1 1 435.478 4.750 20 0 IJADMO Cc1c(Cl)nc(C2CCC2)nc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164909594 721765867 /nfs/dbraw/zinc/76/58/67/721765867.db2.gz CNTZRVBNHJIQMT-UHFFFAOYSA-N 1 1 437.975 4.889 20 0 IJADMO Cc1c(Cl)nc(C2CCC2)nc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164909594 721765871 /nfs/dbraw/zinc/76/58/71/721765871.db2.gz CNTZRVBNHJIQMT-UHFFFAOYSA-N 1 1 437.975 4.889 20 0 IJADMO Cc1cc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001165028682 721807810 /nfs/dbraw/zinc/80/78/10/721807810.db2.gz ZNUTZNDDZMQPQB-IPELMVKDSA-N 1 1 428.005 4.785 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(F)cc4ncnc(Cl)c43)C[C@H]21 ZINC001165021624 721820615 /nfs/dbraw/zinc/82/06/15/721820615.db2.gz FITLEXIIVWUPKB-QKYXUNIQSA-N 1 1 425.939 4.554 20 0 IJADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165029014 721823663 /nfs/dbraw/zinc/82/36/63/721823663.db2.gz WKUSWTIWPJVSKQ-SXLOBPIMSA-N 1 1 428.024 4.868 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(SCc4ccccc4)ncn3)C[C@H]21 ZINC001165027860 721827505 /nfs/dbraw/zinc/82/75/05/721827505.db2.gz UHYXTBCCMLGFJS-GMKZXUHWSA-N 1 1 445.636 4.901 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc(SCc4ccccc4)n3)C[C@@H]21 ZINC001165024071 721828904 /nfs/dbraw/zinc/82/89/04/721828904.db2.gz JOQLAUBSULIVHJ-YFNKSVMNSA-N 1 1 445.636 4.901 20 0 IJADMO Cc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001165027500 721829275 /nfs/dbraw/zinc/82/92/75/721829275.db2.gz SIRWKPYXTLAOSF-BVSLBCMMSA-N 1 1 449.002 4.632 20 0 IJADMO c1cc([C@H]2CCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C2)ccn1 ZINC001165040957 721928858 /nfs/dbraw/zinc/92/88/58/721928858.db2.gz WIBJHGSRXDBBAS-IBGZPJMESA-N 1 1 433.625 4.945 20 0 IJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc5nc(Cl)cnc5cc4F)CC3)C2)cc1 ZINC001164940731 721932117 /nfs/dbraw/zinc/93/21/17/721932117.db2.gz ZGXNOTWBSGWUSH-UHFFFAOYSA-N 1 1 440.950 4.602 20 0 IJADMO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164952453 722014536 /nfs/dbraw/zinc/01/45/36/722014536.db2.gz KZKKYLSOROUZEP-UHFFFAOYSA-N 1 1 443.929 4.716 20 0 IJADMO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164953204 722015740 /nfs/dbraw/zinc/01/57/40/722015740.db2.gz SZOJNRVTJCQKQQ-UHFFFAOYSA-N 1 1 443.929 4.716 20 0 IJADMO Cc1nc2sc3c(c2c(N2CCC4(CC[N@@H+](Cc5cccnc5)C4)CC2)n1)CCCC3 ZINC001164955296 722021999 /nfs/dbraw/zinc/02/19/99/722021999.db2.gz DTZVTGSPXJUWQQ-UHFFFAOYSA-N 1 1 433.625 4.766 20 0 IJADMO Cc1nc(-c2ccccc2)nc(Cl)c1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955841 722022299 /nfs/dbraw/zinc/02/22/99/722022299.db2.gz OSVRRQFVNLNYDT-UHFFFAOYSA-N 1 1 433.987 4.993 20 0 IJADMO FC(F)(N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1)C1(c2ccc(Cl)nc2)CC1 ZINC001164964215 722025137 /nfs/dbraw/zinc/02/51/37/722025137.db2.gz VUXGDZINAMMKDX-UHFFFAOYSA-N 1 1 432.946 4.743 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3onc(COc4ccccn4)c3C2)nc1 ZINC001164968994 722083168 /nfs/dbraw/zinc/08/31/68/722083168.db2.gz IZQJEOSBNHKMCJ-JOCHJYFZSA-N 1 1 433.556 4.543 20 0 IJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(Cl)ccc2CN2CCCC2)C3)c1 ZINC001164996002 722201996 /nfs/dbraw/zinc/20/19/96/722201996.db2.gz RHQCLSFORQSSBL-XMMPIXPASA-N 1 1 428.983 4.715 20 0 IJADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)c2cnc4c(Cl)ncnc4c2)C3)c1 ZINC001164993841 722206176 /nfs/dbraw/zinc/20/61/76/722206176.db2.gz CFBFNKWGKUCAES-NRFANRHFSA-N 1 1 447.892 4.607 20 0 IJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)c2cnc4c(Cl)ncnc4c2)C3)c1 ZINC001164993841 722206178 /nfs/dbraw/zinc/20/61/78/722206178.db2.gz CFBFNKWGKUCAES-NRFANRHFSA-N 1 1 447.892 4.607 20 0 IJADMO COC(=O)C[C@H](c1ccnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1)C1CC1 ZINC001164994837 722207035 /nfs/dbraw/zinc/20/70/35/722207035.db2.gz IOGQUKJNIMZPHO-OZXSUGGESA-N 1 1 437.559 4.522 20 0 IJADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2c4c(nnc2Cl)CCC4)C3)c1 ZINC001164993729 722208362 /nfs/dbraw/zinc/20/83/62/722208362.db2.gz AFWTXKUOKRYCCZ-OAQYLSRUSA-N 1 1 436.909 4.548 20 0 IJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2c4c(nnc2Cl)CCC4)C3)c1 ZINC001164993729 722208363 /nfs/dbraw/zinc/20/83/63/722208363.db2.gz AFWTXKUOKRYCCZ-OAQYLSRUSA-N 1 1 436.909 4.548 20 0 IJADMO c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4COC[C@@H]4C3)c2c1-c1ccccc1 ZINC001164387550 718819050 /nfs/dbraw/zinc/81/90/50/718819050.db2.gz IAYYKODPLLNUBB-PMACEKPBSA-N 1 1 434.609 4.817 20 0 IJADMO Cc1[nH+]cc2n1CCN(c1nc(CN3CCCCC3)nc3scc(-c4ccccc4)c31)C2 ZINC001164439040 718990533 /nfs/dbraw/zinc/99/05/33/718990533.db2.gz AUDBMOQPHHQDPT-UHFFFAOYSA-N 1 1 444.608 4.869 20 0 IJADMO CC(C)c1nc2scc(-c3ccccc3Cl)c2c(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC001164666074 719446047 /nfs/dbraw/zinc/44/60/47/719446047.db2.gz BBCFFXNGPUOAIB-ROUUACIJSA-N 1 1 428.989 4.654 20 0 IJADMO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164694385 719806771 /nfs/dbraw/zinc/80/67/71/719806771.db2.gz WSDVJVMOLFASKA-UHFFFAOYSA-N 1 1 449.020 4.620 20 0 IJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc4c2CCCCC4)CC3)cs1 ZINC001164692432 719808043 /nfs/dbraw/zinc/80/80/43/719808043.db2.gz GSKKQKPGIYDHQT-UHFFFAOYSA-N 1 1 432.037 4.799 20 0 IJADMO FC(F)(c1ccc(Cl)nc1Cl)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164695702 719886801 /nfs/dbraw/zinc/88/68/01/719886801.db2.gz RRQUOEVSXLKGSM-UHFFFAOYSA-N 1 1 448.366 4.866 20 0 IJADMO CCN(c1ccccc1)c1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ncn1 ZINC001164707296 719900951 /nfs/dbraw/zinc/90/09/51/719900951.db2.gz OTPMCFNZUJSOHU-UHFFFAOYSA-N 1 1 449.624 4.568 20 0 IJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccccc3cc1Cl)CC2 ZINC001164719065 720111075 /nfs/dbraw/zinc/11/10/75/720111075.db2.gz VDRYTTRZDCUCAN-OAQYLSRUSA-N 1 1 436.987 4.791 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccc(F)cc3)nc3ccccc31)C2 ZINC001164816036 720169496 /nfs/dbraw/zinc/16/94/96/720169496.db2.gz JYNFYLAJYFDAIH-JIPXPUAJSA-N 1 1 446.570 4.621 20 0 IJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3c(ccnc3Cl)c1)C2 ZINC001164812453 720184032 /nfs/dbraw/zinc/18/40/32/720184032.db2.gz AUMHPAYAUFSQAT-DENIHFKCSA-N 1 1 435.946 4.618 20 0 IJADMO Clc1cc2nc(Cl)c(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc2cc1Cl ZINC001164721330 720359608 /nfs/dbraw/zinc/35/96/08/720359608.db2.gz BSWFRBRDBJPCOX-ROUUACIJSA-N 1 1 434.758 4.838 20 0 IJADMO Clc1cc2nc(Cl)c(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc2cc1Cl ZINC001164721330 720359615 /nfs/dbraw/zinc/35/96/15/720359615.db2.gz BSWFRBRDBJPCOX-ROUUACIJSA-N 1 1 434.758 4.838 20 0 IJADMO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732023 720445801 /nfs/dbraw/zinc/44/58/01/720445801.db2.gz MUBBFCAJJYRRNB-NHCUHLMSSA-N 1 1 441.913 4.590 20 0 IJADMO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732023 720445812 /nfs/dbraw/zinc/44/58/12/720445812.db2.gz MUBBFCAJJYRRNB-NHCUHLMSSA-N 1 1 441.913 4.590 20 0 IJADMO Clc1cccc(-c2nc3c(c(N4CC[C@@H]5[C@H]4CC[N@H+]5Cc4cccnc4)n2)CCCC3)c1 ZINC001164725831 720462230 /nfs/dbraw/zinc/46/22/30/720462230.db2.gz BDMNUZQCPHLWBI-DNQXCXABSA-N 1 1 445.998 4.924 20 0 IJADMO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726769 720477463 /nfs/dbraw/zinc/47/74/63/720477463.db2.gz LXGTYVJMLXNEGV-VQTJNVASSA-N 1 1 435.959 4.733 20 0 IJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H](O)[C@@H]2Cc2ccccc2)n1 ZINC001164830274 720493760 /nfs/dbraw/zinc/49/37/60/720493760.db2.gz AARYLLODPGNWSA-VXKWHMMOSA-N 1 1 444.604 4.602 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cc4cc(F)ccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841279 720507042 /nfs/dbraw/zinc/50/70/42/720507042.db2.gz YAJOMZOVLFZKSX-HFSMHLIXSA-N 1 1 427.955 4.602 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccc(Cl)c(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838067 720541695 /nfs/dbraw/zinc/54/16/95/720541695.db2.gz NTNVMYRJPWWLKU-HLLBOEOZSA-N 1 1 444.357 4.508 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccc(Cl)c(Cl)n3)CC[C@@H]21 ZINC001164838069 720541763 /nfs/dbraw/zinc/54/17/63/720541763.db2.gz NTNVMYRJPWWLKU-VYDXJSESSA-N 1 1 444.357 4.508 20 0 IJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(-c4ccccc4)cc(Cl)n3)CC[C@@H]21 ZINC001164834996 720542098 /nfs/dbraw/zinc/54/20/98/720542098.db2.gz GNGBMXNGWNLCDN-VABKMULXSA-N 1 1 436.003 4.976 20 0 IJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccc(Cl)c(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838071 720542699 /nfs/dbraw/zinc/54/26/99/720542699.db2.gz NTNVMYRJPWWLKU-YQQAZPJKSA-N 1 1 444.357 4.508 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nnc(Cl)c3ccsc31)CC2 ZINC001164839156 720673865 /nfs/dbraw/zinc/67/38/65/720673865.db2.gz IVQPMTQAKRUUEM-QGZVFWFLSA-N 1 1 428.989 4.605 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncccc1OCc1ccccc1)CC2 ZINC001164840261 720709248 /nfs/dbraw/zinc/70/92/48/720709248.db2.gz OJLMYWZUEYWFIE-RUZDIDTESA-N 1 1 443.591 4.921 20 0 IJADMO Cc1cccc(-c2ccc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)c1 ZINC001164836465 720712185 /nfs/dbraw/zinc/71/21/85/720712185.db2.gz BAIFERUFKKKLKP-DEOSSOPVSA-N 1 1 428.580 4.712 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(-c3ccccc3F)nn1)CC2 ZINC001164838823 720719095 /nfs/dbraw/zinc/71/90/95/720719095.db2.gz JGUVTQOBWWTCFD-NRFANRHFSA-N 1 1 432.543 4.543 20 0 IJADMO COc1cc2ccnc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2cc1F ZINC001164836941 720726442 /nfs/dbraw/zinc/72/64/42/720726442.db2.gz BZXFPRQBEFETHC-NRFANRHFSA-N 1 1 435.543 4.642 20 0 IJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(F)c(-c3ccsc3)n1)CC2 ZINC001164841657 720726619 /nfs/dbraw/zinc/72/66/19/720726619.db2.gz VHXUDGHXRIPDMU-HXUWFJFHSA-N 1 1 438.572 4.604 20 0 IJADMO Cc1cc(-c2cccc(F)c2)nnc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840304 720726737 /nfs/dbraw/zinc/72/67/37/720726737.db2.gz OUIPJUOHNYVUTK-DEOSSOPVSA-N 1 1 446.570 4.851 20 0 IJADMO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164837506 720729389 /nfs/dbraw/zinc/72/93/89/720729389.db2.gz NJQZXHCKSKLHGF-FPOVZHCZSA-N 1 1 433.600 4.731 20 0 IJADMO Fc1ccc2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164755392 720891600 /nfs/dbraw/zinc/89/16/00/720891600.db2.gz LUYZDQCYZYXCAW-KCWPFWIISA-N 1 1 446.570 4.524 20 0 IJADMO Fc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2ccccc12 ZINC001164756941 720892106 /nfs/dbraw/zinc/89/21/06/720892106.db2.gz SLEBRYLKDOEZHF-CUNXSJBXSA-N 1 1 446.570 4.524 20 0 IJADMO CC(C)N(C)Cc1cnc2n1CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)[C@H]2C ZINC001164864207 720972439 /nfs/dbraw/zinc/97/24/39/720972439.db2.gz ZOTZINUBQDDVCX-FQEVSTJZSA-N 1 1 428.584 4.703 20 0 IJADMO Cc1nc2sc3c(c2c(N2CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]2C)n1)CCCCC3 ZINC001164858055 721003454 /nfs/dbraw/zinc/00/34/54/721003454.db2.gz GQMYZWWKHLSCJX-INIZCTEOSA-N 1 1 438.645 4.887 20 0 IJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(F)ccc1-c1ccc(Cl)nn1)[C@H]2C ZINC001164862270 721010640 /nfs/dbraw/zinc/01/06/40/721010640.db2.gz PTUYITOZIKVPFC-HNNXBMFYSA-N 1 1 428.943 4.554 20 0 IJADMO Cc1ccccc1Oc1nc(Cl)ncc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164864592 721018533 /nfs/dbraw/zinc/01/85/33/721018533.db2.gz YIMXKXXRJHMAQH-KRWDZBQOSA-N 1 1 440.979 4.849 20 0 IJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@@H](COc4cccnc4)CC[C@@H]32)nc1 ZINC001164878770 721251813 /nfs/dbraw/zinc/25/18/13/721251813.db2.gz VNNXWEBQAWZADJ-NGSHPTGOSA-N 1 1 436.600 4.619 20 0 IJADMO Clc1ccc2nc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nc(-c3ccccc3)c2c1 ZINC001164783559 721425273 /nfs/dbraw/zinc/42/52/73/721425273.db2.gz IYFXBDIFOZYWHE-ROUUACIJSA-N 1 1 447.995 4.975 20 0 IJADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164780428 721439928 /nfs/dbraw/zinc/43/99/28/721439928.db2.gz ADBLFLOKMHIHQX-GASCZTMLSA-N 1 1 438.975 4.574 20 0 IJADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164780428 721439932 /nfs/dbraw/zinc/43/99/32/721439932.db2.gz ADBLFLOKMHIHQX-GASCZTMLSA-N 1 1 438.975 4.574 20 0 IJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3cc(Cl)ccc32)[C@H]2CCCO[C@@H]12 ZINC001164801522 721544870 /nfs/dbraw/zinc/54/48/70/721544870.db2.gz FNRZAIRRSZIVHN-XKCSPQBFSA-N 1 1 443.378 4.805 20 0 IJADMO Cc1c(Cl)cnc(Cl)c1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906597 721720509 /nfs/dbraw/zinc/72/05/09/721720509.db2.gz NCICCJLMNGRBHA-LJQANCHMSA-N 1 1 427.326 4.830 20 0 IJADMO Cc1ccc(C)c(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)c1 ZINC001164912808 721727390 /nfs/dbraw/zinc/72/73/90/721727390.db2.gz QHMXHIZQKFQGSH-VWLOTQADSA-N 1 1 449.549 4.893 20 0 IJADMO FC(F)c1nc2ccccc2c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912814 721728533 /nfs/dbraw/zinc/72/85/33/721728533.db2.gz QLLRMGXIAVXEMY-JOCHJYFZSA-N 1 1 445.464 4.700 20 0 IJADMO Fc1ccc2c(Cl)ncnc2c1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164913837 721737711 /nfs/dbraw/zinc/73/77/11/721737711.db2.gz YUWKQUCMOOSQTI-NRFANRHFSA-N 1 1 447.892 4.555 20 0 IJADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@@H](c2ccccc2)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001164913134 721743201 /nfs/dbraw/zinc/74/32/01/721743201.db2.gz UHEUFQMIRSIHDF-BKMJKUGQSA-N 1 1 446.982 4.888 20 0 IJADMO Cc1ccc(C(F)(F)N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc1Cl ZINC001164910134 721755531 /nfs/dbraw/zinc/75/55/31/721755531.db2.gz OAEYMDDYYKGPDY-UHFFFAOYSA-N 1 1 432.902 4.771 20 0 IJADMO Cc1ccc(C(F)(F)N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc1Cl ZINC001164910134 721755538 /nfs/dbraw/zinc/75/55/38/721755538.db2.gz OAEYMDDYYKGPDY-UHFFFAOYSA-N 1 1 432.902 4.771 20 0 IJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(Cl)nc1-c1ccccc1)C2 ZINC001164910419 721762446 /nfs/dbraw/zinc/76/24/46/721762446.db2.gz FSAXGVXNESQRQJ-UHFFFAOYSA-N 1 1 445.954 4.980 20 0 IJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(Cl)nc1-c1ccccc1)C2 ZINC001164910419 721762451 /nfs/dbraw/zinc/76/24/51/721762451.db2.gz FSAXGVXNESQRQJ-UHFFFAOYSA-N 1 1 445.954 4.980 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4cc(F)c(F)cc4nc3Cl)C[C@@H]21 ZINC001165026446 721809299 /nfs/dbraw/zinc/80/92/99/721809299.db2.gz QJHMHIXAAIRFQV-IVZHQMGZSA-N 1 1 443.929 4.693 20 0 IJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cncc(Oc4cccc(F)c4)n3)C[C@@H]21 ZINC001165023537 721819128 /nfs/dbraw/zinc/81/91/28/721819128.db2.gz HQCNHWHTDUVSSD-YFXJRYMSSA-N 1 1 433.531 4.540 20 0 IJADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165029016 721823371 /nfs/dbraw/zinc/82/33/71/721823371.db2.gz WKUSWTIWPJVSKQ-YSIASYRMSA-N 1 1 428.024 4.868 20 0 IJADMO Cc1cnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1-c1ccccc1F ZINC001165025201 721830710 /nfs/dbraw/zinc/83/07/10/721830710.db2.gz MELMUVQBGNVJLW-NGYIFUPDSA-N 1 1 431.559 4.723 20 0 IJADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC[C@@H](c5ccncc5)C4)c23)C1 ZINC001165040668 721928966 /nfs/dbraw/zinc/92/89/66/721928966.db2.gz ICLMQCKZBGTHHN-PKOBYXMFSA-N 1 1 433.625 4.801 20 0 IJADMO C[C@H]1CCc2c(sc3ncnc(N4CCC5(CC[N@@H+](Cc6cccnc6)C5)CC4)c23)C1 ZINC001164951790 722016862 /nfs/dbraw/zinc/01/68/62/722016862.db2.gz DSWYRBZSHXVDCS-SFHVURJKSA-N 1 1 433.625 4.704 20 0 IJADMO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955899 722022694 /nfs/dbraw/zinc/02/26/94/722022694.db2.gz RSBKOSXVCPMOOP-UHFFFAOYSA-N 1 1 437.950 4.824 20 0 IJADMO Cc1c(Cl)ccc2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc21 ZINC001164961532 722058815 /nfs/dbraw/zinc/05/88/15/722058815.db2.gz LJWVCXFSHWDIGS-UHFFFAOYSA-N 1 1 436.987 4.711 20 0 IJADMO Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983201 722109835 /nfs/dbraw/zinc/10/98/35/722109835.db2.gz YLHGSSUHCGBGBP-VGOFRKELSA-N 1 1 443.378 4.664 20 0 IJADMO Clc1cc(-c2ccccc2)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977468 722116371 /nfs/dbraw/zinc/11/63/71/722116371.db2.gz NHZZIXXUKPSJQR-GMAHTHKFSA-N 1 1 434.971 4.524 20 0 IJADMO Clc1ccc2ccc(Cl)c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2n1 ZINC001164977182 722153284 /nfs/dbraw/zinc/15/32/84/722153284.db2.gz YERLYOIVPHRXEF-UYAOXDASSA-N 1 1 443.378 4.664 20 0 IJADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCC[C@@]3(C[C@@H](OCC4CCCC4)CO3)C2)n1 ZINC001164975978 722165133 /nfs/dbraw/zinc/16/51/33/722165133.db2.gz BCVQSMUKMIKQDZ-ZJSXRUAMSA-N 1 1 434.024 4.666 20 0 IJADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2nc(Cl)cc(Cl)n2)C3)c1 ZINC001164994599 722193840 /nfs/dbraw/zinc/19/38/40/722193840.db2.gz OHEZQCYTFKUZBW-GOSISDBHSA-N 1 1 431.289 4.712 20 0 IJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2nc(Cl)cc(Cl)n2)C3)c1 ZINC001164994599 722193841 /nfs/dbraw/zinc/19/38/41/722193841.db2.gz OHEZQCYTFKUZBW-GOSISDBHSA-N 1 1 431.289 4.712 20 0 IJADMO